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120 results on '"Laboratoire de Génie Chimique - LGC (Toulouse, France)"'

1. Pearl-necklace assembly of human serum albumin with the poly(acrylic acid) polyelectrolyte investigated using small angle X-ray scattering (SAXS)

Author

Pierre Roblin, Charaf Eddine Merzougui, Yung Chang, Antoine Venault, Pierre Aimar, Patrice Bacchin, Christel Causserand, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Chung Yuan Christian University - CYCU (TAIWAN), Laboratoire de Génie Chimique - LGC (Toulouse, France), Chung Yuan Christian University, Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), and Université Fédérale Toulouse Midi-Pyrénées

Subjects
SAXS, Interaction, Acrylic Resins, Serum Albumin, Human, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, X-Ray Diffraction, Ionic strength, Scattering, Small Angle, medicine, Humans, Génie chimique, Molecule, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Génie des procédés, Human Serum Albumin, Poly(acrylic acid), Acrylic acid, pH, Chemistry, Small-angle X-ray scattering, X-Rays, General Chemistry, Hydrogen-Ion Concentration, biochemical phenomena, metabolism, and nutrition, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Human serum albumin, Polyelectrolytes, Polyelectrolyte, 0104 chemical sciences, body regions, Crystallography, embryonic structures, Radius of gyration, 0210 nano-technology, Macromolecule, medicine.drug
Abstract

International audience; In this comprehensive study, the interaction of human serum albumin (HSA) with poly(acrylic acid) (PAA) was explored using small angle X-ray scattering (SAXS) combined with chromatography. The results revealed the formation of a complex between HSA macromolecules and PAA chains but solely under some specific conditions of the ionic strength and pH of the medium. In fact, this binding was found to take place only at pH close to 5 and at low ionic strength (0.15 M). Otherwise, for a higher pH and a salt concentration of 0.75 M the HSA–PAA complex tends to dissociate completely showing the reversibility of the complexation. The assessment of the influence of the HSA/PAA molar ratio on the radius of gyration of the complex suggests that 4 HSA molecules could bind to each 100 kDa PAA chain. In addition, the Porod volume evaluation for the same range of the HSA/PAA ratio confirms this assumption. Finally, an all-atom SAXS modelling study using the BUNCH program was conducted to find a compatible model that fits the HSA–PAA complex scattering data. This model allows us to portray the HSA/PAA complex as a pearl-necklace assembly with 4 HSA molecules on the 100 kDa PAA chain.

Published
2020

2. Design of 3D microbial anodes for microbial electrolysis cells (MEC) fuelled by domestic wastewater. Part I: Multiphysics modelling

Author

Benjamin Erable, Alain Bergel, Régine Basséguy, Rémy Lacroix, Serge Da Silva, Luc Etcheverry, Emma Roubaud, 6T-MIC Ingénieries (FRANCE), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, 6T-MIC Ingenieries (FRANCE), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), and Laboratoire de Génie Chimique - LGC (Toulouse, France)

Subjects
Materials science, Multiphysics, 02 engineering and technology, Electrolyte, 010501 environmental sciences, 01 natural sciences, 7. Clean energy, law.invention, law, Microbial electrolysis cell, Génie chimique, Chemical Engineering (miscellaneous), [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Génie des procédés, Porosity, Waste Management and Disposal, 0105 earth and related environmental sciences, Hydrogen production, Electrolysis, Process Chemistry and Technology, Chemical oxygen demand, Domestic wastewater treatment, 3D graphite electrodes, Multiphysics modelling, 021001 nanoscience & nanotechnology, Pollution, 6. Clean water, Anode, Bioelectrochemical systems, Chemical engineering, 0210 nano-technology
Abstract

International audience; The performance of a microbial electrolysis cell (MEC) supplied with domestic wastewater (dWW) is essentially limited by the kinetics of the anodic bioelectrochemical reactions and the low ionic conductivity of the electrolyte. A strategy to boost-up the anodic bioelectrochemical kinetics is to use three-dimensional (3D) microbial anodes that offer a high total anodic surface area and volume density of electroactive biofilm. In this work, a 3D multiphysics model was designed to simulate the current generation and resulting hydrogen production in double and triple-compartment MECs fed continuously with dWW. Simulations indicated that optimised 3D microbial anode geometries could simultaneously increase current and chemical oxygen demand (COD) removal by 86% compared to a 2D planar graphite electrode. At a constant CEM voltage, the current produced increased with the thickness of the 3D microbial anode up to a limiting thickness of 20 mm. Beyond this value, the current was stagnant due to the predominant ohmic drop. Current generation and COD removal could be further increased by designing 3D anode geometrical arrangements that force the dWWs to flow through the porosity of the 3D microbial anode. A gain of 20% was calculated by substituting a monolithic 3D graphite anode with a 3D anode of the same thickness (20 mm) but constructed of plates stacked on top of each other and spaced 2.5 mm apart. Finally, hydrogen production performance was additionally optimised by a further + 20% by switching from a two-compartment MEC design (anode-cathode) to a three-compartment MEC design (cathode-anode-cathode).

Published
2021

3. Experimental investigation of heat transport in inhomogeneous bubbly flow

Author

Dennis P. M. van Gils, Biljana Gvozdić, Elise Alméras, Sander G. Huisman, Chao Sun, Detlef Lohse, On Yu Dung, University of Twente [Netherlands], Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Tsinghua University [Beijing] (THU), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Tsinghua University (CHINA), University of Twente (NETHERLANDS), Laboratoire de Génie Chimique - LGC (Toulouse, France), Physics of Fluids, and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Work (thermodynamics), Materials science, Buoyancy, General Chemical Engineering, Flow (psychology), Mixing (process engineering), UT-Hybrid-D, FOS: Physical sciences, 02 engineering and technology, engineering.material, Industrial and Manufacturing Engineering, Physics::Fluid Dynamics, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, Heat transfer, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0204 chemical engineering, Génie des procédés, Bubbly flows, Turbulence, Applied Mathematics, Fluid Dynamics (physics.flu-dyn), Physics - Fluid Dynamics, General Chemistry, Rayleigh number, Mechanics, 021001 nanoscience & nanotechnology, Volumetric flow rate, engineering, 0210 nano-technology, Experiments, Bubble column
Abstract

In this work we study the heat transport in inhomogeneous bubbly flow. The experiments were performed in a rectangular bubble column heated from one side wall and cooled from the other, with millimetric bubbles introduced through one half of the injection section (close to the hot wall or close to the cold wall). We characterise the global heat transport while varying two parameters: the gas volume fraction $\alpha = 0.4\% - 5.1 \%$, and the Rayleigh number $Ra_H=4\times10^9-2.2\times10^{10}$. As captured by imaging and characterised using Laser Doppler Anemometry (LDA), different flow regimes occur with increasing gas flow rates. In the generated inhomogeneous bubbly flow there are three main contributions to the mixing: (\textit{i}) transport by the buoyancy driven recirculation, (\textit{ii}) bubble induced turbulence (BIT) and (\textit{iii}) shear-induced turbulence (SIT). The strength of these contributions and their interplay depends on the gas volume fraction which is reflected in the measured heat transport enhancement. We compare our results with the findings for heat transport in homogeneous bubbly flow from Gvozdi{\'c} \emph{et al.} (2018). We find that for the lower gas volume fractions ($\alpha4\%$, when the contribution of SIT becomes stronger, but so does the competition between all three contributions, the homogeneous injection is more efficient.

Published
2019

4. Design and control of pressure-swing distillation for separating ternary systems with three binary minimum azeotropes

Author

Jie Li, Shun an Wei, Vincent Gerbaud, Ao Yang, Weifang Shen, Lichun Dong, Centre National de la Recherche Scientifique - CNRS (FRANCE), Chongqing University (CHINA), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), University of Manchester (UNITED KINGDOM), Laboratoire de Génie Chimique - LGC (Toulouse, France), Chongqing University [Chongqing], University of Manchester [Manchester], Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, and Institut National Polytechnique de Toulouse - INPT (FRANCE)

Subjects
Optimization, Environmental Engineering, Materials science, General Chemical Engineering, Boundary (topology), Binary number, triple-column pressure-swing distillation, 02 engineering and technology, law.invention, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, law, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Temperature difference control strategy, 0204 chemical engineering, Génie des procédés, Triple‐column pressure‐swing distillation, Process engineering, Distillation, Tetrahydrofuran, Ternary numeral system, business.industry, Residue curve, residue curve maps, Swing, 021001 nanoscience & nanotechnology, chemistry, Ternary system, 0210 nano-technology, Ternary operation, business, Biotechnology
Abstract

International audience; The separation of ternary nonideal systems with multi‐azeotrope is very important because they are often found in the waste of chemical and pharmaceutical industries, which is much more difficult due to the formation of multi‐azeotrope and distillation boundary. We propose a systematic procedure for design and control of a triple‐column pressure‐swing distillation for separating ternary systems with three binary minimum azeotropes. This procedure involves thermodynamic insights, a two‐step optimization method, and effective control strategy. The separation of tetrahydrofuran (THF)/ethanol/water is used to illustrate the capability of the proposed procedure. It is found that the pressure limits in columns can be determined through the analysis of residue curve maps, distillation boundary, and isovolatility curves. The optimal triple‐column pressure‐swing distillation is generated with the minimum total annual cost (TAC) of $2.181 × 106 in sequence A. The operating conditions are well controlled approaching their desired specifications in an acceptable time when disturbances occur.

Published
2019

5. Dense upflow fluidized bed (DUFB) solar receivers of high aspect ratio: Different fluidization modes through inserting bubble rupture promoters

Author

Raf Dewil, Gilles Flamant, Yimin Deng, Jan Baeyens, Renaud Ansart, Alex Le Gal, Shuo Li, Ronny Gueguen, Florian Sabatier, Catholic University of Leuven - Katholieke Universiteit Leuven (KU Leuven), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Procédés, Matériaux et Energie Solaire (PROMES), Université de Perpignan Via Domitia (UPVD)-Centre National de la Recherche Scientifique (CNRS), Beijing University of Chemical Technology, University of Western Ontario (UWO), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Beijing University of Chemical Technology - BUCT (CHINA), Katholieke Universiteit Leuven - KU LEUVEN (BELGIUM), Université de Perpignan Via Domitia - UPVD (FRANCE), and Laboratoire de Génie Chimique - LGC (Toulouse, France)

Subjects
Materials science, General Chemical Engineering, Bubble, Particle-in-tube solar receivers, 02 engineering and technology, Heat transfer coefficient, 010402 general chemistry, 01 natural sciences, Industrial and Manufacturing Engineering, [SPI.MECA.MEFL]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Fluids mechanics [physics.class-ph], Physics::Fluid Dynamics, Bubble rupture promoters, Slugging, Gas through flow, Génie chimique, Environmental Chemistry, Two Fluid Model and sub-grid model, Fluidization, Génie des procédés, Fluidization regimes, ComputingMilieux_MISCELLANEOUS, Turbulence, General Chemistry, Mechanics, Chemical reactor, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Fluidized bed, CFD simulation, Heat transfer, 0210 nano-technology
Abstract

A fluidized bed of Geldart-A particles is promoted as heat transfer fluid in the tubular solar receivers of solar towers. A pressure-driven upward particle flow affects the hydrodynamic flow structure and properties of the fluidized bed. Experiments involved a tube of 0.05 m internal diameter but of very high height/diameter ratio (>120), representative of the future solar receiver and of numerous chemical reactors. Solid circulation fluxes and aeration velocities were varied. Configurations of a bare tube and a tube with bubble rupture promoters were compared. In the bare tube, freely bubbling is transformed into axi-symmetric slugging at a bed level of ~1 m. With bubble rupture promoters, freely bubbling prevails to about a bed level of 3 m, and a turbulent fluidization mode develops higher up the tube (a more chaotic two-phase system with elongated and unstable “gas voids” and “dense solid clusters”), without axi-symmetric slugging detected. Experimental results for both tube configurations were assessed and compared with CFD predictions by the Euler n-fluid code, NEPTUNE_CFD. A good agreement of bed properties was obtained for slug/void frequencies and solids volume fraction in both tube configurations. BRPs moreover enhance the bubble through flow of the fluidizing gas, thus limiting the visible bubble flow rate and bubble sizes while increasing the gas/particle contact, and hence important in designing multi-tube chemical reactors. Whereas slugging limits the heat transfer from the tube wall to the suspension at ~200 W/m2K, the presence of BRPs maintains a heat transfer coefficient in excess of 600 W/m2K.

Published
2021

6. 11CO2 positron emission imaging reveals the in-situ gas concentration profile as function of time and position in opaque gas-solid contacting systems

Author

Huili Zhang, Yimin Deng, Andrew Ingram, Lise Appels, Jonathan Seville, David Parker, Jan Baeyens, Renaud Ansart, Raf Dewil, Thomas Leadbeater, Sarah Dawn Bell, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Beijing University of Technology - BJUT (CHINA), University of Birmingham (UNITED KINGDOM), University of Cape Town - UCT (SOUTH AFRICA), Katholieke Universiteit Leuven - KU LEUVEN (BELGIUM), Laboratoire de Génie Chimique - LGC (Toulouse, France), University of Birmingham [Birmingham], Beijing University of Technology, Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, and University of Cape Town

Subjects
In situ, Materials science, Opacity, General Chemical Engineering, Mixing (process engineering), 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Industrial and Manufacturing Engineering, Breakthrough, Adsorption, [CHIM.GENI]Chemical Sciences/Chemical engineering, TRACER, Mass transfer, medicine, Environmental Chemistry, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Positron emission, Génie des procédés, Astrophysics::Galaxy Astrophysics, Gas-solid interactions, medicine.diagnostic_test, General Chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Kinetics, Positron emission imaging, Opaque reactors, Positron emission tomography, Chemical physics, 0210 nano-technology, CO2 adsorption
Abstract

International audience; The in situ analysis of industrial processes, mostly conducted in opaque equipment is difficult. Whereas previously the positron emission technique was successfully applied to study the flow and mixing in gas-solid and liquid-solid systems using radio-active tracer particles, research on imaging a radio- active tracer gas is scarce. The present paper demonstrates the use of a fully three-dimensional (3D) Positron Emission Tomography (PET) in imaging the adsorption of 11CO2 tracer gas, while validating the measurement by conventional exit gas analysis. It will be demonstrated that PET can be used to measure the kinetics of high-pressure CO2 adsorption in situ, including the essential breakthrough and mass transfer zone characteristics. Such high-pressure operation is characteristic of pre-combustion CO2 capturing processes. It is expected that this work will foster further studies of gas-solid systems of adsorption, gas-solid catalysis, gas-solid hydrodynamics, and processes where the gas-solidinteraction is of primary importance.

Published
2021

7. New exploration of the γ-gliadin structure through its partial hydrolysis

Author

Hélène Rogniaux, Adeline Boire, Alexandre Giuliani, Denis Renard, Line Sahli, Véronique Solé-Jamault, Pierre Roblin, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Institut national de recherche pour l'agriculture, l'alimentation et l'environnement - INRAE (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), Unité de recherche sur les Biopolymères, Interactions Assemblages (BIA), Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Département Caractérisation et Elaboration des Produits Issus de l'Agriculture (CEPIA), Fédération de Recherche Fluides, Energie, Réacteurs, Matériaux et Transferts (FERMAT), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), and Université de Toulouse (UT)

Subjects
Partial hydrolysis, Peptide, 02 engineering and technology, Intrinsically disordered proteins, Biochemistry, Gliadin, Domain (software engineering), 03 medical and health sciences, Protein Domains, Structural Biology, Enzymatic hydrolysis, Wheat storage proteins, Chymotrypsin, Génie chimique, Génie des procédés, Molecular Biology, Triticum, 030304 developmental biology, 2. Zero hunger, chemistry.chemical_classification, 0303 health sciences, [SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM], biology, Small-angle X-ray scattering, Hydrolysis, food and beverages, General Medicine, 021001 nanoscience & nanotechnology, 3D structure modelling, Template, chemistry, Biophysics, biology.protein, 0210 nano-technology
Abstract

International audience; The partial enzymatic hydrolysis of wheat gliadins constitutes an interesting tool to unravel their structural specificity. In this work, the structure and conformation of γ-gliadin were investigated through its limited chymotrypsic digestion. Using a combination of computational, biochemical and biophysical tools, we studied each of its N and C terminal domains. Our results reveal that γ-gliadin is a partially disordered protein with an unfolded N-terminal domain surprisingly resistant to chymotrypsin and a folded C-terminal domain. Using spectroscopic tools, we showed that structural transitions occured over the disordered N-terminal domain for decreasing ethanol/water ratios. Using SAXS measurements, low-resolution 3D structures of γ-gliadin were proposed. To relate the repeated motifs of the N-terminal domain of γ-gliadin to its structure, engineered peptide models PQQPY/F were also studied. Overall results demonstrated similarities between the N-terminal domain and its derived model peptides. Our findings support the use of these peptides as general templates for understanding the wheat protein assembly and dynamics.

Published
2020

8. Analogies between SARS-CoV-2 infection dynamics and batch chemical reactor behavior

Author

Kristiano Prifti, Anna Dell'Angelo, Filippo Bisotti, Flavio Manenti, C. Ariatti, A. Di Pretoro, Andrea Galeazzi, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Politecnico di Milano (ITALY), Laboratoire de Génie Chimique - LGC (Toulouse, France), Politecnico di Milano [Milan] (POLIMI), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), and Université Fédérale Toulouse Midi-Pyrénées

Subjects
2019-20 coronavirus outbreak, Coronavirus disease 2019 (COVID-19), Computer science, Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), General Chemical Engineering, 02 engineering and technology, Article, Industrial and Manufacturing Engineering, Non-linear regression, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, Pandemic, Econometrics, Quantitative Biology::Populations and Evolution, Génie chimique, 0204 chemical engineering, Génie des procédés, Infected population, Infection dynamics, SARS-CoV-2, Applied Mathematics, fungi, Pandemic mathematical model, General Chemistry, Chemical reactor, 021001 nanoscience & nanotechnology, 3. Good health, 13. Climate action, Susceptible individual, Predictive model, 0210 nano-technology, Batch chemical reactor
Abstract

Highlights • The batch reactor dynamics is used to predict SARS-CoV-2 spreading. • The reactor model can phenomenologically explain the virus spreading. • The model predicts the peak (day and entity) and the infection extinction. • Initial Value Problem for ODE has been solved with an unknown initial condition. • Algorithm robustness and convergence have been tested., The pandemic infection of SARS-CoV-2 presents analogies with the behavior of chemical reactors. Susceptible population (A), active infected population (B), recovered cases (C) and deaths (D) can be assumed to be molecules of chemical compounds and their dynamics seem well aligned with those of composition and conversions in chemical syntheses. Thanks to these analogies, it is possible to generate pandemic predictive models based on chemical and physical considerations and regress their kinetic parameters, either globally or locally, to predict the peak time, entity and end of the infection with certain reliability. These predictions can strongly support the emergency plans decision making process. The model predictions have been validated with data from Chinese provinces that already underwent complete infection dynamics. For all the other countries, the evolution is re-regressed and re-predicted every day, updating a pandemic prediction database on Politecnico di Milano’s webpage based on the real-time available data.

Published
2020
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9. Osmotic pressure and transport coefficient in ultrafiltration: A Monte Carlo study using quantum surface charges

Author

Stefano Curcio, Yannick Hallez, G. De Luca, Francesco Petrosino, Università della Calabria [Arcavacata di Rende] (Unical), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, ITM-CNR, Centre National de la Recherche Scientifique - CNRS (FRANCE), Consiglio Nazionale delle Ricerche - CNR (ITALY), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Università della Calabria (ITALY), and Laboratoire de Génie Chimique - LGC (Toulouse, France)

Subjects
Membrane fouling, Work (thermodynamics), Computational chemistry, Materials science, General Chemical Engineering, Diffusion, Transport coefficient, Ab-initio modeling, Physics::Medical Physics, Monte Carlo method, Ultrafiltration, Thermodynamics, 02 engineering and technology, Industrial and Manufacturing Engineering, Theory of liquids, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, Génie chimique, Osmotic pressure, Multiscale modeling, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0204 chemical engineering, Génie des procédés, Physics::Biological Physics, Applied Mathematics, General Chemistry, 021001 nanoscience & nanotechnology, Bovine serum albumin, DLVO theory, 0210 nano-technology
Abstract

International audience; The calculation of the Osmotic Pressure and the Diffusion Coefficient, characterizing the cake layer developing during the Ultrafiltration (UF) of Bovine Serum Albumin (BSA), through a Multiscale Model based on Quantum Mechanics (QM) and Monte Carlo methods (MC) was the aim of this work. From the ab-initio results described in previous works, the distribution of the BSA surface charges was used. A home-made Metropolis MC algorithm, aimed at simulating the formation of BSA loose or concentrated layers during membrane operations, was also implemented. In such a MC algorithm, a DLVO energy calculation methodology of the adsorbed system was developed. Different MC simulations and Hypernetted Chain theory (HNC) calculations were performed so to determine both the Osmotic Pressure and the Diffusion Coefficient of BSA according to the Chun and Bowen approach, thus allowing a comparison between the calculated values of osmotic pressure and a set of experimental data taken from the literature. Such a comparison showed a good agreement between the simulated and the experimental results.

Published
2020

10. Surface Zwitterionization of Expanded Poly(tetrafluoroethylene) via Dopamine-Assisted Consecutive Immersion Coating

Author

Yung Chang, Jie Zheng, James Huang, Peter Matthew Paul T. Fowler, Gian Vincent Dizon, Pierre Aimar, Lemmuel L. Tayo, Alvin R. Caparanga, Mapua University, Chung Yuan Christian University, Yeu Ming Tai Chemical Industrial, University of Akron, Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), University of Akron - UA (USA), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Chung Yuan Christian University - CYCU (TAIWAN), Mapúa University (PHILIPPINES), YEU MING TAI Chemical Industrial Co. Ltd-YMT (Taichung, Taiwan), and Laboratoire de Génie Chimique - LGC (Toulouse, France)

Subjects
Glycidyl methacrylate, Staphylococcus aureus, Materials science, Biofouling, Surface Properties, Dopamine, 02 engineering and technology, Expanded polytetrafluoroethylene, Microbial Sensitivity Tests, engineering.material, Polyethylenimine, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, Coating, Coated Materials, Biocompatible, Immersion (virtual reality), Escherichia coli, Génie chimique, General Materials Science, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Particle Size, Génie des procédés, Polytetrafluoroethylene, Molecular Structure, 021001 nanoscience & nanotechnology, Sulfobetaine methacrylate, 0104 chemical sciences, Anti-Bacterial Agents, chemistry, engineering, Tetrafluoroethylene, 0210 nano-technology, Biomedical engineering
Abstract

International audience; Expanded polytetrafluoroethylene (ePTFE) is one of the materials widely used in the biomedical field, yet its application is being limited by adverse reactions such as thrombosis when it comes in contact with blood. Thus, a simple and robust way to modify ePTFE to be biologically inert is sought after. Modification of ePTFE without high-energy pretreatment, such as immersion coating, has been of interest to researchers for its straightforward process and ease in scaling up. In this study, we utilized a two-step immersion coating to zwitterionize ePTFE membranes. The first coating consists of the co-deposition of polyethylenimine (PEI) and polydopamine (PDA) to produce amine groups in the surface of the ePTFE for further functionalization. These amine groups from PEI will be coupled with the epoxide group of the zwitterionic copolymer, poly(GMA-co-SBMA) (PGS), via a ring-opening reaction in the second coating. The coated ePTFE membranes were physically and chemically characterized to ensure that each step of the coating is successful. The membranes were also tested for their thrombogenicity via quantification of the blood cells attached to it during contact with biological solutions. The coated membranes exhibited around 90% reduction in attachment with respect to the uncoated ePTFE for both Gram-positive and Gram-negative strains of bacteria (Staphylococcus aureus and Escherichia coli). The coating was also able to resist blood cell attachment from human whole blood by 81.57% and resist red blood cell attachment from red blood cell concentrate by 93.4%. These ePTFE membranes, which are coated by a simple immersion coating, show significant enhancement of the biocompatibility of the membranes, which shows promise for future use in biological devices.

Published
2020

11. Demonstrating Aqueous-Phase Low-Molecular-Weight-Gel Wicking of Oil for the Remediation of Oil Spilled into Surface Water

Author

Emilie Espitalié, Anwu Li, Daniel J. Walls, Michael Gattrell, Jun Chen, Gabriel Hum, John M. Frostad, Department of Microbiology and Immunology [Vancouver] (UBC Microbiology), University of British Columbia (UBC), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), University of British Columbia (CANADA), and Laboratoire de Génie Chimique - LGC (Toulouse, France)

Subjects
Materials science, Nucleation, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Absorption, [CHIM.GENI]Chemical Sciences/Chemical engineering, Rheology, Chemical structure, Electrochemistry, Washburn's equation, Génie chimique, General Materials Science, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Génie des procédés, Spectroscopy, Aqueous solution, Aqueous two-phase system, Surfaces and Interfaces, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Lipids, 0104 chemical sciences, Shear (sheet metal), Chemical engineering, Structural dynamics, Absorption (chemistry), 0210 nano-technology, Porous medium
Abstract

International audience; Oils spilled into surface water require effective and timelytreatment. In this paper, we report on a low-molecular-weight gelator that can form gels in organic and aqueous phases. The aqueous gel was observed to absorb oils, which is proposed as a new class of materials for remediatingoil spilled into surface water. The gels and the low molecular-weight gelator have both fundamental and applied significance. Fundamentally, identifying the mechanisms that govern the formation of these gels and their resultant mechanical properties is of interest. Subsequently, these fundamental insights aid in the optimization of these gels for addressing spilled oil. First, we briefly compare the organic and aqueous gels qualitatively before focusing on the aqueous gel. Second, we demonstrate the ability of the aqueous gel to wick oils through experiments in a Hele-Shaw cell and compare our results to the Washburn equation for porous media. The Washburn equation is not entirely adequate in describing our results due to the change in volume of the porous media during the wicking process. Finally, we investigate mechanisms proposed to govern the formation of low-molecular-weight gels in the literature through rheological shear measurements during gel formation. Our experiments suggest that the proposed mechanisms are applicable to our aqueous gels, growing as anisotropic crystal networks with fractal dimensions between one and two dimensions from temporally sporadic nucleation sites.

Published
2020

12. Two Dimensional Oblique Molecular Packing within a Model Peptide Ribbon Aggregate

Author

Stefan Kuczera, Axel Rüter, Ulf Olsson, Kevin Roger, Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Lund University (SWEDEN), Göteborgs Universitet (SWEDEN), and Laboratoire de Génie Chimique - LGC (Toulouse, France)

Subjects
Diffraction, Length scale, Materials science, Peptide, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Aggregation, Lattice (order), Ribbon, Génie chimique, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, Protein Structure, Quaternary, Génie des procédés, ComputingMilieux_MISCELLANEOUS, chemistry.chemical_classification, flow alignment, Scattering, Structure elucidation, Communication, structure elucidation, aggregation, Oblique case, 021001 nanoscience & nanotechnology, Atomic and Molecular Physics, and Optics, Communications, 0104 chemical sciences, 3. Good health, X-ray diffraction, Crystallography, chemistry, ddc:540, X-ray crystallography, peptides, Protein Conformation, beta-Strand, Protein Multimerization, Flow alignment, 0210 nano-technology, Peptides, Oligopeptides
Abstract

A10K (A=alanine, K=lysine) model peptides self‐assemble into ribbon‐like β‐sheet aggregates. Here, we report an X‐ray diffraction investigation on a flow‐aligned dispersion of these self‐assembly structures. The two‐dimensional wide‐angle X‐ray scattering pattern suggests that peptide pack in a two‐dimensional oblique lattice, essentially identical to the crystalline packing of polyalanine, An (for n>4). One side of the oblique unit cell, corresponding to the anti‐parallel β‐sheet, is oriented along the ribbon's axis. Together with recently published small angle X‐ray scattering data of the same system, this work thus yields a detailed description of the self‐assembled ribbon aggregates, down to the molecular length scale. Notably, our results highlight the importance of the crystalline peptide packing within its self‐assembly aggregates, which is often neglected., X‐ray diffraction of flow aligned A10K ribbon aggregates (alignment indi‐ cated by birefringence) results in an oriented diffraction pattern. Based on this pattern a 2D oblique lattice as the internal crystalline structure is proposed for the aggregates.

Published
2020

13. A review of recent progress on electrocatalysts toward efficient glycerol electrooxidation

Author

Faisal Abnisa, Ching Shya Lee, Yolande Pérès, Wan Mohd Ashri Wan Daud, Peter Adeniyi Alaba, Patrick Cognet, Mohamed Kheireddine Aroua, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), King Abdulaziz University - KAU (SAUDI ARABIA), Sunway University (MALAYSIA), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), University of Malaya - UM (MALAYSIA), Laboratoire de Génie Chimique - LGC (Toulouse, France), University of Malaya [Kuala Lumpur, Malaisie], Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), King Abdulaziz University, and Sunway University [Malaysia]

Subjects
Aidic media, General Chemical Engineering, Heteroatom, 02 engineering and technology, 010402 general chemistry, Electrocatalyst, 01 natural sciences, 7. Clean energy, Catalysis, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, Glycerol, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Bifunctional, Génie des procédés, Alkaline media, Platinum, Chemistry, Rational design, 021001 nanoscience & nanotechnology, Combinatorial chemistry, 0104 chemical sciences, Biodiesel production, Glycerol electrooxidation, 0210 nano-technology, Selectivity
Abstract

Glycerol electrooxidation has attracted immense attention due to the economic advantage it could add to biodiesel production. One of the significant challenges for the industrial development of glycerol electrooxidation process is the search for a suitable electrocatalyst that is sustainable, cost effective, and tolerant to carbonaceous species, results in high performance, and is capable of replacing the conventional Pt/C catalyst. We review suitable, sustainable, and inexpensive alternative electrocatalysts with enhanced activity, selectivity, and durability, ensuring the economic viability of the glycerol electrooxidation process. The alternatives discussed here include Pd-based, Au-based, Ni-based, and Ag-based catalysts, as well as the combination of two or three of these metals. Also discussed here are the prospective materials that are yet to be explored for glycerol oxidation but are reported to be bifunctional (being capable of both anodic and cathodic reaction). These include heteroatom-doped metal-free electrocatalysts, which are carbon materials doped with one or two heteroatoms (N, B, S, P, F, I, Br, Cl), and heteroatom-doped nonprecious transition metals. Rational design of these materials can produce electrocatalysts with activity comparable to that of Pt/C catalysts. The takeaway from this review is that it provides an insight into further study and engineering applications on the efficient and cost-effective conversion of glycerol to value-added chemicals.

Published
2020

14. Using Microscopic Observations of Cyclopentane Hydrate Crystal Morphology and Growth Patterns To Estimate the Antiagglomeration Capacity of Surfactants

Author

Delroisse, †, Torre, J.-P, Dicharry, Christophe, Delroisse, H., Torré, J.-P., Barreto, G., Laboratoire des Fluides Complexes et leurs Réservoirs (LFCR), TOTAL FINA ELF-Université de Pau et des Pays de l'Adour (UPPA)-Centre National de la Recherche Scientifique (CNRS), Arkema (FRANCE), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Total (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Université de Pau et des Pays de l'Adour - UPPA (FRANCE), and Laboratoire de Génie Chimique - LGC (Toulouse, France)

Subjects
Formation Solvate, General Chemical Engineering, Clathrate hydrate, Energy Engineering and Power Technology, Surfactants, Crystal growth, Hydrate, 02 engineering and technology, Crystals, Methane, Surface tension, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, Pulmonary surfactant, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0204 chemical engineering, Cyclopentane, Génie des procédés, Solvates Surfactants, 021001 nanoscience & nanotechnology, Lipids, Fuel Technology, chemistry, Chemical engineering, Hydrate formation, Wetting, 0210 nano-technology
Abstract

International audience; The crystal growth and morphology of cyclopentane (CP) hydrates at a quiescent water/oil interface in the presence of 10 different surfactants were observed under a microscope. In most cases, the oil was CP, but for some of the observations a 50/50 vol % mixture of CP and n-octane (n-C8) (or n-dodecane (n-C12)) was used instead. For some of the surfactants, gas hydrates formed from a methane (CH4)/propane (C3H8) gas mixture at a quiescent water/n-C8 interface were also observed. The capacity of the surfactants to prevent the hydrate particles from agglomerating was assessed by measuring torque on oil-dominated systems (70 vol %) in a stirred autoclave at subcoolings of 6 and 10 °C for the CP hydrates and CH4/C3H8 hydrates, respectively. The oil phases were the same as those used in the morphology study. In the case of CP hydrates, the agglomeration state of the system was directly observed by opening the autoclave at the end of the hydrate formation. The size of the CP hydrate particles was measured, and their wettability was determined. The effect of the presence of salt (NaCl) on the crystal morphology and AA performance was also studied for some systems. All the surfactants that induced the formation of hydrate crystals that rapidly agglomerated at the water/CP interface showed poor AA performance. Whenever the surfactants induced the formation of individual oil-wettable crystals, their AA performance was good. If the individual crystals formed were water-wettable, two main behaviors were observed: (1) when the surfactant induced a very low water/CP interfacial tension (1 mN/m), it exhibited poor AA performance. These trends in the AA performance of the surfactants were observed on both hydrate systems (CP hydrates and CH4/C3H8 hydrates). From the experimental results obtained in this work, we can infer that the microscopic observation of the morphology and growth pattern of CP hydrate crystals formed at a quiescent water/CP interface might be a simple way to rapidly assess if a surface-active molecule has an antiagglomeration effect on sII gas hydrates.

Published
2020

15. Investigating the electrocatalytic oxidation of glycerol on simultaneous nitrogen- and fluorine-doped on activated carbon black composite

Author

Yousif Abdalla Abakr, Patrick Cognet, Faisal Abnisa, Mohamed Kheireddine Aroua, Wan Mohd Wan Daud, Ching Shya Lee, Mustapha Danladi Ibrahim, Peter Adeniyi Alaba, Yolande Pérès, University of Malaya [Kuala Lumpur, Malaisie], Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, King Abdulaziz University, Sunway University [Malaysia], Lancaster University, University of Nottingham Malaysia Campus, Abubakar Tafawa Balewa University (ATBU), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), King Abdulaziz University - KAU (SAUDI ARABIA), University of Nottingham Malaysia Campus (MALAYSIA), Sunway University (MALAYSIA), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), University of Nottingham (UNITED KINGDOM), Abubakar Tafawa Balewa University - ATBU (NIGERIA), Lancaster University (UNITED KINGDOM), University of Malaya - UM (MALAYSIA), Laboratoire de Génie Chimique - LGC (Toulouse, France), Energy, Fuel and Power Technology Division (Malaysia), and Institut National Polytechnique de Toulouse - INPT (FRANCE)

Subjects
Activated carbon, chemistry.chemical_element, 02 engineering and technology, 010402 general chemistry, Electrochemistry, Electrocatalyst, 01 natural sciences, Catalysis, chemistry.chemical_compound, Aniline, [CHIM.GENI]Chemical Sciences/Chemical engineering, Carbon black, Materials Chemistry, medicine, Génie chimique, Electrical and Electronic Engineering, Heteroatom doping, Chemistry, Mechanical Engineering, General Chemistry, Nitrogen doping, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, Chemical engineering, Electrode, Fluorine, Glycerol oxidation, 0210 nano-technology, medicine.drug
Abstract

To develop non-metallic electrocatalyst for glycerol electrooxidation, simultaneous co-doping of nitrogen and fluorine into activated carbon black (ACB) composite was explored to investigate the physical and electrochemical characteristics. The ACB was prepared by mixing activated carbon and carbon black. The N and F were incorporated using aniline and polytetrafluoroethylene as the precursors. The morphologies of the prepared samples were analyzed and the electrochemical behavior, as well as the electrocatalytic performance, was investigated in acid and alkaline environment. Porosity analysis shows that 20% N and F co-doped ACB (ACB-N2F2) reduced the surface area (491.64 m2 g−1) and increased the electroactive surface area, which could contribute to faster mass transport and electron transfer process to enhance the catalytic activity the electrode. The doping defect also reduced the charge transfer resistance, which could increase the spin densities and maximize charge re-distribution to generate more electroactive surface. The electrodes N-doped ACB (ACB-N2) and ACB-N2F2 exhibited a remarkable electrocatalytic activity in alkaline medium, while only 30% N and F co-doped ACB electrode are suitable in acidic medium. Moreover, the catalyst displayed remarkable long-term stability/durability in alkaline environment.

Published
2020

16. On Interconnected Observer Design for Nonlinear System

Author

Boutaïeb Dahhou, Michel Cabassud, Mei Zhang, Zetao Li, Guizhou University (GZU), Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Équipe DIagnostic, Supervision et COnduite (LAAS-DISCO), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Guizhou University, Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique - CNRS (FRANCE), Guizhou University (CHINA), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), and Laboratoire de Génie Chimique - LGC (Toulouse, France)

Subjects
Actuator subsystem, Energie électrique, 0209 industrial biotechnology, Interconnection, Left invertibility, Observer (quantum physics), Process subsystem, Computer science, [SPI.NRJ]Engineering Sciences [physics]/Electric power, Process (computing), Unknown interconnection, 02 engineering and technology, 021001 nanoscience & nanotechnology, States estimation, Computer Science::Hardware Architecture, Nonlinear system, 020901 industrial engineering & automation, Control theory, [INFO.INFO-AU]Computer Science [cs]/Automatic Control Engineering, Control system, [INFO.INFO-SY]Computer Science [cs]/Systems and Control [cs.SY], Interconnected system, 0210 nano-technology, Actuator
Abstract

International audience; This paper investigates the possibility of decomposing a control system into an interconnection of actuator and process subsystems; this allows monitoring the properties of the interconnected system globally and locally. For that, observer for the nonlinear interconnected system is studied. Specially, the interconnection between the two subsystems is assumed to be inaccessible to measurement. The aim is then to accurately estimate online the states vector of each subsystem, as well as the unknown interconnection. Numerical simulations confirm the effectiveness of the designed observer.

Published
2019

17. Particle motion and heat transfer in an upward-flowing dense particle suspension: Application in solar receivers

Author

Renaud Ansart, Hadrien Benoit, Jonathan Seville, David Parker, Thomas Leadbeater, Pablo García-Triñanes, University of Surrey (UNIS), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Procédés, Matériaux et Energie Solaire (PROMES), Université de Perpignan Via Domitia (UPVD)-Centre National de la Recherche Scientifique (CNRS), University of Birmingham [Birmingham], Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), University of Birmingham (UNITED KINGDOM), University of Surrey (UNITED KINGDOM), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Convection, Materials science, Convective heat transfer, General Chemical Engineering, 02 engineering and technology, Heat transfer coefficient, 7. Clean energy, Industrial and Manufacturing Engineering, [CHIM.GENI]Chemical Sciences/Chemical engineering, Solar energy, 020401 chemical engineering, Heat transfer, Concentrated solar power, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Fluidisation, 0204 chemical engineering, Génie des procédés, Dense particle suspension, Magnetosphere particle motion, business.industry, Applied Mathematics, General Chemistry, Mechanics, 021001 nanoscience & nanotechnology, Wall region contact time, Classical mechanics, TA, Particle, 0210 nano-technology, business
Abstract

International audience; Concentrated solar power (CSP) plants conventionally make use of molten salt as the heat transfer medium, which transfers heat between the solar receiver and a steam turbine power circuit. A new approach uses particles of a heat-resistant particulate medium in the form of many dense upward-moving fluidised beds contained within an array of vertical tubes within the solar receiver. In most dense gas–solid fluidisation systems, particle circulation is induced by bubble motion and is the primary cause of particle convective heat transfer,which is themajor contributing mechanismto overall heat transfer. The current work describes experiments designed to investigate the relationship between this solids convection and the heat transfer coefficient between the bed and the tubewall, which is shown to depend on the local particle concentration and their rate of renewal at the wall. Experimentswere performed using 65 mmsilicon carbide particles in a tube of diameter 30mm, replicating the conditions used in the real application. Solidsmotion and time-averaged solids concentration were measured using Positron Emission Particle Tracking (PEPT) and local heat transfer coefficients measured using small probes which employ electrical resistance heating and thermocouple temperaturemeasurement. Results show that, as for other types of bubbling beds, the heat transfer coefficient first increases as the gas flow rate increases (because the rate of particle renewal at thewall increases), before passing through a maximum and decreasing again as the reducing local solids concentration at the wall becomes the dominant effect. Measured heat transfer coefficients are compared with theoretical approaches by Mickley and Fairbanks packet model and Thring correlation. The close correspondence between heat transfer coefficient and solids movement is here demonstrated by PEPT for the first time in a dense upward-moving fluidised bed.

Published
2018

18. Real time monitoring of the quiescent suspension copolymerization of vinyl chloride with methyl methacrylate in microreactors – Part 3. A kinetic study by raman spectroscopy and evolution of droplet size

Author

José Carlos Pinto, Jérôme Durand, A. Pontier, Carlos Alberto Castor, Laurent E. Prat, Programa de Engenharia Química (PEQ/COPPE-UFRJ), Instituto Alberto Luiz Coimbra de Pós-Graduação e Pesquisa de Engenharia (COPPE-UFRJ), Universidade Federal do Rio de Janeiro (UFRJ)-Universidade Federal do Rio de Janeiro (UFRJ), Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Laboratoire de chimie de coordination (LCC), Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Institut National Polytechnique (Toulouse) (Toulouse INP), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Universidade Federal do Rio de Janeiro - UFRJ (BRAZIL), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Université Fédérale Toulouse Midi-Pyrénées, Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), and Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Materials science, General Chemical Engineering, Kinetics, 02 engineering and technology, Photochemistry, Industrial and Manufacturing Engineering, Vinyl chloride, symbols.namesake, chemistry.chemical_compound, 020401 chemical engineering, Copolymer, Génie chimique, 0204 chemical engineering, Methyl methacrylate, Génie des procédés, Bifunctional, Applied Mathematics, General Chemistry, Microreactors, 021001 nanoscience & nanotechnology, 3. Good health, [CHIM.POLY]Chemical Sciences/Polymers, chemistry, Bifunctional initiator, Raman spectroscopy, Suspension polymerization, Suspension copolymerization, symbols, Microreactor, 0210 nano-technology
Abstract

This paper regards the experimental study on the polymerization of vinyl chloride droplets in quiescent state using microreactors. As presented in a previous work performed with methyl methacrylate monomer, this work presents results on the reaction kinetics of vinyl chloride (VCM) polymerization monitored by Raman spectroscopy and on the evolution of VCM droplets as captured by charge-coupled device (CCD) camera in a microcapillary. Different experimental recipes were proposed using commercial initiators in order to compare the system performance when initiated with monofunctional and bifunctional peroxides. For the first time in the open literature the evolution of VCM droplets is shown up to high conversions in quiescent state. It is also shown how the pressure drop can modify the PVC particle morphology at the end of polymerization. Finally, it is shown that the Raman technique is able to monitor the reaction kinetics at different conditions, being possible to identify four different characteristic stages during the vinyl chloride polymerization reactions.

Published
2017

19. Theoretical and Experimental Adhesion of Yeast Strains with High Chromium Removal Potential

Author

Saad Ibnsouda Koraichi, Wifak Bahafid, Alae Elabed, Naïma El Ghachtouli, Meryem Asri, Soumya Elabed, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Université Sidi Mohamed Ben Abdellah - USMBA (MOROCCO), Laboratoire de Génie Chimique - LGC (Toulouse, France), Institut National Polytechnique de Toulouse - INPT (FRANCE), Sidi Mohammed Ben Abdellah University, Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), and Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)

Subjects
[SDV.BIO]Life Sciences [q-bio]/Biotechnology, Wickerhamomyces anomalus, chemistry.chemical_element, 02 engineering and technology, Wastewater, 01 natural sciences, Husk, Chromium, [CHIM.GENI]Chemical Sciences/Chemical engineering, 0103 physical sciences, Botany, Génie chimique, XDLVO theory, Environmental Chemistry, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Génie des procédés, Waste Management and Disposal, 010304 chemical physics, [SDE.IE]Environmental Sciences/Environmental Engineering, Chemistry, Biofilm, Yeast strains, Adhesion, Wood husk, 021001 nanoscience & nanotechnology, Pollution, 6. Clean water, Yeast, Chemical engineering, Pine wood, 0210 nano-technology
Abstract

International audience; Biofilm-based bioprocesses are increasingly used in wastewater treatment. Microbial adhesion constitutes the key step in stability of these depollution systems. For adhesion studies, physicochemical characterization of microbial cells and supports has proved to be of extreme importance. In this work, estimation of interaction between five yeast strains with a high potential for Cr (VI) removal using extended Derjaguin–Landau–Verwey and Overbeek (XDLVO) theory as a powerful predictive tool of adhesion was investigated. Predictions showed that wood husk could be a good support for the formation of tested yeast biofilm, beech and oak exhibit better properties than other wood species studied with 100% of potential for adhesion. From a thermodynamic point of view, pine and teak woods are not suitable for biofilm formation for all tested yeast strains, presenting positive values of free energy adhesion (ΔGXDLVO). Environmental scanning electronic microscopy (ESEM) and Matlab® image analysis confirmed that all tested yeast strains were able to adhere to pine wood and, except for Wickerhamomyces anomalus they were unable to adhere to oak wood. Adhesion experiments were found to be well related to the theoretical prediction. To our knowledge, this is the first study dealing with biofilm-mediated depollution from an adhesion point of view aiming to optimize the stability of the system. It allows expanding knowledge about adhesion phenomena of yeast strains on wooden surface and contributes to select the best biofilm-support combination that would be used in a performant biological system for chromium removal.

Published
2017

20. Effect of operational parameters on the performance of a magnetic responsive biocatalytic membrane reactor

Author

Pierre Aimar, Lidietta Giorno, Thierry Verbiest, Abaynesh Yihdego Gebreyohannes, Ivo F.J. Vankelecom, Catholic University of Leuven - Katholieke Universiteit Leuven (KU Leuven), Università della Calabria [Arcavacata di Rende] (Unical), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Consiglio Nazionale delle Ricerche (CNR), Centre National de la Recherche Scientifique - CNRS (FRANCE), Consiglio Nazionale delle Ricerche - CNR (ITALY), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Università della Calabria (ITALY), Katholieke Universiteit Leuven - KU LEUVEN (BELGIUM), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - INPT (FRANCE)

Subjects
Membrane fouling, Materials science, Immobilized enzyme, Continuous operation, General Chemical Engineering, Magnetic nanoparticle, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Industrial and Manufacturing Engineering, [CHIM.GENI]Chemical Sciences/Chemical engineering, Génie chimique, Environmental Chemistry, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Génie des procédés, Nanocomposite, Chromatography, Fouling, Membrane reactor, General Chemistry, Permeation, 021001 nanoscience & nanotechnology, Stimuli-responsive membrane, 0104 chemical sciences, Volumetric flow rate, Membrane, Chemical engineering, Biocatalysis, Packed bed reactor, 0210 nano-technology
Abstract

International audience; In this work, the performance of an innovative magnetic responsive biocatalytic membrane reactor (BMRSP) has been investigated under various operational parameters. In particular, feed concentrations, flow rates across the bed, temperature and amount of biocatalytic bead were varied to probe the flow-dependent transport and kinetic properties of the reaction and the subsequent hydrolytic performance of the BMRSP. The rate of fouling for the BMRSP was always lower than a corresponding control system. For a given enzymatic concentration, a constant foulant hydrolyzing capacity is identified. At 3 g/m2 pectinase containing bionanocomposites, the BMRSP hydrolytic efficiency was 1.5 g/m2 h. This efficiency was further increased by increasing the amount of bionanocomposites per membrane area. This further allowed the BMRSP to hydrolyze higher loads of foulants while keeping a low if not zero increase in TMP over time at constant flux. Identification of an optimal operating condition laid the platform for continuous operation of the BMRSP over 200 h, without visible transmembrane pressure drift while maintaining constant flux. Product assay in the permeate gave constant value in the entire duration, i.e., no enzymatic activity decay owing to stable enzyme immobilization and no leakage through the pores of the membrane owing to the synergistic magnetic interaction between the magnetic membrane and magnetic bionanocomposites. The obtained stability over a broad range of operational parameters and sustainable performance over long period gives a high prospect to the newly developed BMRSP to be utilized in continuous biocatalysis and separation, thereby significantly improved process efficiency.

Published
2017

21. Investigation of the initial deposition steps and the interfacial layer of Atomic Layer Deposited (ALD) Al2O3 on Si

Author

Sandrine Dourdain, Brigitte Caussat, Andreas G. Boudouvis, David S. Ruch, Constantin Vahlas, Yann Tison, Jérôme Bour, Hugues Vergnes, G.P. Gakis, Hervé Martinez, Emmanuel Scheid, National Technical University of Athens [Athens] (NTUA), Laboratoire de thermodynamique et physico-chimie métallurgiques (LTPCM), Institut National Polytechnique de Grenoble (INPG)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Tri ionique par les Systèmes Moléculaires auto-assemblés (LTSM), Institut de Chimie Séparative de Marcoule (ICSM - UMR 5257), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux (IPREM), Université de Pau et des Pays de l'Adour (UPPA)-Centre National de la Recherche Scientifique (CNRS), Advanced Materials and Structures, Centre de Recherche Public Henri-Tudor [Luxembourg] (CRP Henri-Tudor), Laboratoire de technologies industrielles (LTI), Équipe Matériaux et Procédés pour la Nanoélectronique (LAAS-MPN), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse 1 Capitole (UT1)-Université Toulouse - Jean Jaurès (UT2J)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse 1 Capitole (UT1)-Université Toulouse - Jean Jaurès (UT2J), Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Laboratoire de physique de l'état condensé (LPEC), Centre National de la Recherche Scientifique (CNRS)-Le Mans Université (UM), Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université de Toulouse (UT), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Laboratoire de Génie Chimique (LGC), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Le Mans Université (UM)-Centre National de la Recherche Scientifique (CNRS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Commissariat à l'Energie Atomique et aux énergies alternatives - CEA (FRANCE), Centre National de la Recherche Scientifique - CNRS (FRANCE), Ecole Nationale Supérieure de Chimie de Montpellier - ENSCM (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), National Technical University of Athens - NTUA (GREECE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Luxembourg Institute of Science and Technology - LIST (LUXEMBOURG), Université de Pau et des Pays de l'Adour - UPPA (FRANCE), Université de Montpellier (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), Laboratoire d'Analyse et d'Architecture des Systèmes - LAAS (Toulouse, France), Université Toulouse III - Paul Sabatier (UPS), Luxembourg Institute of Science and Technology (LIST), Laboratoire d'analyse et d'architecture des systèmes [Toulouse] (LAAS), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UPS), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UPS), NTUA Research Committee, and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Silicon, Materials science, Matériaux, Alumina, Nucleation, General Physics and Astronomy, chemistry.chemical_element, 02 engineering and technology, Substrate (electronics), Island growth, 010402 general chemistry, 01 natural sciences, [SPI.MAT]Engineering Sciences [physics]/Materials, Atomic layer deposition, X-ray photoelectron spectroscopy, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, [CHIM]Chemical Sciences, Génie chimique, TMA, Génie des procédés, Surfaces and Interfaces, General Chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, Interface, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Surfaces, Coatings and Films, X-ray reflectivity, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.POLY]Chemical Sciences/Polymers, chemistry, Chemical engineering, ALD, 0210 nano-technology, Layer (electronics)
Abstract

International audience; During the first stages of Atomic Layer Deposition (ALD) of Al 2 O 3 on silicon (Si), the substrate nature affects the surface chemistry, leading to an initial island growth mode. Furthermore, an interfacial zone develops between the Si surface and the dielectric, thus damaging the physical properties of the deposited structure. In this work, these two main shortcomings are investigated for the ALD of Al 2 O 3 films on Si from TMA and H 2 O. The film and the interfacial zone are characterized by a complete range of techniques, including XRR, TEM, XPS, EDX and ToF-SIMS. In parallel, a computational model is developed to study the initial nucleation and growth steps of the film. An induction period is experimentally evidenced and numerically reproduced, together with the island growth and coalescence phenomena. The chemical composition of the (Al, O, Si) interfacial layer is precisely analyzed to get insight in the mechanisms of its formation. We show that Si oxidation occurs during the island growth, catalyzed by the presence of Al, while it is also fed by species interdiffusion through the ALD film.

Published
2019

22. Ιn situ N 2 -NH 3 plasma pre-treatment of silicon substrate enhances the initial growth and restricts the substrate oxidation during alumina ALD

Author

Hugues Vergnes, Emmanuel Scheid, Yann Tison, Constantin Vahlas, Fuccio Cristiano, G.P. Gakis, Andreas G. Boudouvis, Brigitte Caussat, National Technical University of Athens [Athens] (NTUA), Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Équipe Matériaux et Procédés pour la Nanoélectronique (LAAS-MPN), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux (IPREM), Université de Pau et des Pays de l'Adour (UPPA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Université Toulouse III - Paul Sabatier (UPS), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UPS), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse 1 Capitole (UT1)-Université Toulouse - Jean Jaurès (UT2J)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse 1 Capitole (UT1)-Université Toulouse - Jean Jaurès (UT2J), Université de Pau et des Pays de l'Adour (UPPA)-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UPS), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), National Technical University of Athens - NTUA (GREECE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Université de Pau et des Pays de l'Adour - UPPA (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Materials science, Silicon, Matériaux, Alumina, EDX- XPS, General Physics and Astronomy, chemistry.chemical_element, 02 engineering and technology, Substrate (electronics), Island growth, 01 natural sciences, Barrier layer, Atomic layer deposition, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, 0103 physical sciences, Scanning transmission electron microscopy, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Génie des procédés, Deposition (law), 010302 applied physics, Surface and interface chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.POLY]Chemical Sciences/Polymers, chemistry, Chemical engineering, ALD, TEM, 0210 nano-technology, Layer (electronics)
Abstract

International audience; The initial substrate inhibiting island growth and the formation of an interfacial layer with uncontrollable characteristics are the two main drawbacks of the Atomic Layer Deposition (ALD) of high-k metal-oxide gate dielectrics on silicon (Si). In this paper, we investigate the ALD of Al2O3 films from trimethyl aluminum and H2O, on fluorhydric acid (HF) cleaned, as well as on HF-cleaned and in situ N2-NH3 plasma pretreated Si between 0 and 75 cycles. The films and their interface were characterized via Scanning Transmission Electron Microscopy coupled to Energy-Dispersive X-ray spectroscopy. The initial deposition is clearly increased on the pretreated surfaces, obtaining a linear ALD regime even after 5 ALD cycles, compared to several tens of cycles needed on HF-cleaned Si. Furthermore, a SixNy layer is formed by the N2-NH3 plasma pretreatment, which acts as a barrier layer, reducing the oxidation of the Si substrate beneath it. This analysis provides a general framework for the understanding and determination of adequate surface pretreatments, able to combat the substrate inhibited initial growth and the Si oxidation during metal-oxide ALD on Si.ACKNOWLEDGMENTS

Published
2019

23. Surfactant mediated particle aggregation in nonpolar solvents

Author

Mohsen Khajeh Aminian, Yannick Hallez, Biljana Stojimirovic, Gregor Trefalt, Marco Galli, Mojtaba Farrokhbin, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Yazd Shahid Sadoughi University of Medical Sciences - SSU (IRAN), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Université de Genève (SWITZERLAND), Laboratoire de Génie Chimique - LGC (Toulouse, France), Université de Genève (UNIGE), Yazd Shahid Sadoughi University of Medical Sciences - SSU (IRAN) (1), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
nonpolar solvant, Materials science, General Physics and Astronomy, FOS: Physical sciences, 02 engineering and technology, Condensed Matter - Soft Condensed Matter, 010402 general chemistry, 01 natural sciences, Light scattering, symbols.namesake, Aggregation, [CHIM.GENI]Chemical Sciences/Chemical engineering, Pulmonary surfactant, Surfactant, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Surface charge, Colloids, Physical and Theoretical Chemistry, Génie des procédés, Volume concentration, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Solvent, Condensed Matter::Soft Condensed Matter, Particle aggregation, Chemical physics, ddc:540, symbols, DLVO theory, Soft Condensed Matter (cond-mat.soft), van der Waals force, 0210 nano-technology
Abstract

International audience; The aggregation behavior of particles in nonpolar media is studied with time-resolved light scattering. At low surfactant concentrations particles are weakly charged and suspensions are not stable. The suspensions become progressively more stable with increasing surfactant concentration as particles become more highly charged. At high concentrations the particles become neutralized and aggregation is again fast. The theory of Derjaguin, Landau, Verwey, and Overbeek (DLVO) is able to predict the stability ratios quantitatively by using the experimentally measured surface charges, screening lengths and van der Waals forces.

Published
2019

24. The fluidized bed air heat exchanger in a hybrid Brayton-cycle solar power plant

Author

Shuo Li, Florian Sabatier, Jan Baeyens, Huili Zhang, Gilles Flamant, Weibin Kong, Renaud Ansart, Centre National de la Recherche Scientifique - CNRS (FRANCE), European Powder and Process Technology - EPPT (BELGIUM), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Beijing University of Technology - BJUT (CHINA), Richter, Christoph, Laboratoire de Génie Chimique - LGC (Toulouse, France), Institut National Polytechnique de Toulouse - INPT (FRANCE), Beijing University of Technology, Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Procédés, Matériaux et Energie Solaire (PROMES), and Université de Perpignan Via Domitia (UPVD)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Materials science, Combined cycle, 020209 energy, Nuclear engineering, Airflow, 02 engineering and technology, Heat transfer coefficient, Heat transfer measurement, 021001 nanoscience & nanotechnology, 7. Clean energy, Brayton cycle, law.invention, [CHIM.GENI]Chemical Sciences/Chemical engineering, law, Fluidized bed, Heat exchanger, Heat transfer, Concentrated solar power, 0202 electrical engineering, electronic engineering, information engineering, Hydrodynamics, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0210 nano-technology, Génie des procédés
Abstract

Using group A particle suspensions as heat transfer fluid in concentrated solar power plants leads to higher efficiency and lower costs. Combined cycle power generation becomes possible with e.g. a topping Brayton air turbine cycle and an advanced steam power block as bottoming cycle. This hybrid combined cycle solar tower power plant will be tested on a 3 MWthpilot-scale at the CNRS-Themis solar tower (France) with the receiver, hot powder storage and air Brayton turbine. The suspension will exit the receiver at a nominal outlet temperature of 750-800°C. Hot powders will be stored and will subsequently exchange heat with the turbine air. The outlet temperature of the air heat exchanger (625 to 700 °C) will considerably determine the hybrid operation (reducing the possibly used fossil fuel boost) and the heat exchanger design is of paramount importance. The air heat exchanger will be a baffled cross-flow fluidized bed. Air will be heated in an in-bed finned-tube bundle. Air will be fed at 5.8 bar and∼270°C. The hydrodynamics and heat transfer characteristics of the air heat exchanger were experimentally investigated towards bubble properties and heat trasnfer coefficient. The bed to tube heat transfer coefficient was measured for different pipe geometries at bed temperatures up to 700 °C, exceeding 2 kW/m2K for a twin-bore finned tube but only about 650 W/m²K for the bare tube of equal outside diameter. The heat transfer coefficient from the tube wall to the turbulent air flow inside the tube (∼ 325 W/m2K) determines the design. NEPTUNE_CFD software was used to perform 3D-numerical simulations of the fluidized bed hydrodynamics via an Eulerian n-fluid approach. Simulation and experimental results were in very fair agreement, stressing the capability of mathematical models to predict the behaviour of a cross-flow bubbling fluidized bed.

Published
2019

25. Esterification of Glycerol With Oleic Acid Over Hydrophobic Zirconia-Silica Acid Catalyst and Commercial Acid Catalyst: Optimization and Influence of Catalyst Acidity

Author

Patrick Cognet, Mohamed Kheireddine Aroua, Pei San Kong, Wan Mohd Ashri Wan Daud, Yolande Pérès, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Sime Darby Plantation (MALAYSIA), Sunway University (MALAYSIA), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Lancaster University (UNITED KINGDOM), University of Malaya - UM (MALAYSIA), Laboratoire de Génie Chimique - LGC (Toulouse, France), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, University of Malaya [Kuala Lumpur, Malaisie], Sunway University [Malaysia], Lancaster University, and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Glycerol, optimisation, esterification, 02 engineering and technology, glycerol, 010402 general chemistry, 01 natural sciences, Hydrophobic silica-zirconia based catalyst, Catalysis, lcsh:Chemistry, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, hydrophobic silica-zirconia based catalyst, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Optimisation, Selectivity, Génie des procédés, acidity, Zirconia silica, chemistry.chemical_classification, Esterification, Acidity, selectivity, General Chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Oleic acid, Acid strength, chemistry, lcsh:QD1-999, Yield (chemistry), 0210 nano-technology, Mesoporous material, Nuclear chemistry
Abstract

International audience; Catalytic esterification of glycerol with oleic acid (OA) was optimized over hydrophobic mesoporous zirconia-silica heterogeneous acid catalyst (ZrO2-SiO2-Me&Et-PhSO3H) and benchmarked with commercial catalysts (Aquivion and Amberlyst 15) in order to examine the effect of catalyst acidity on conversion, yield and product selectivity. The process optimisation results showed an 80% conversion with a 59.4% glycerol mono-oleate (GMO) and 34.6% glycerol dioleate (GDO) selectivities corresponding to a combined GMO and GDO selectivity of 94.8% at equimolar OA-to-glycerol ratio, 160°C reaction temperature, 5 wt% catalyst concentration with respect to the OA weight and 4 h reaction time. This work reveals that the hydrophobic and mild acidic ZrO2-SiO2-Me&Et-PhSO3H catalyst outperformed Amberlyst 15 and Aquivion with a yield of 82% and GMO selectivity of 60%. It is found that catalyst acidity is a key parameter for catalytic activity and conversion rate. Nevertheless, high acidity/acid strength reduced the product yield in the glycerol esterification of OA.

Published
2019

26. Electrochemical behavior of plutonium fluoride species in LiF-CaF2 eutectic melt

Author

Gilles Bourges, Mathieu Gibilaro, Pierre Chamelot, Julien Claquesin, Laurent Massot, Olivier Lemoine, Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Commissariat à l'Energie Atomique et aux énergies alternatives - CEA (FRANCE), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Laboratoire de Génie Chimique (LGC), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), and Université de Toulouse (UT)

Subjects
Activity coefficient, Materials science, Cyclic voltammetry, General Chemical Engineering, Diffusion, Inorganic chemistry, Chronopotentiometry, 02 engineering and technology, Activation energy, 010402 general chemistry, 01 natural sciences, 7. Clean energy, chemistry.chemical_compound, symbols.namesake, [CHIM.GENI]Chemical Sciences/Chemical engineering, Electrochemistry, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Génie des procédés, Eutectic system, Arrhenius equation, 021001 nanoscience & nanotechnology, Plutonium, 0104 chemical sciences, chemistry, Standard electrode potential, symbols, Molten fluoride, 0210 nano-technology, Fluoride
Abstract

International audience; The electrochemical behavior of plutonium fluoride species was investigated in molten LiF-CaF2 medium in the 1093–1153 K temperature range with PuF4 additions. A preliminary thermodynamic study supposed a Pu(IV) carboreduction into Pu(III) and that Pu(III) reduction into metal proceeds in one step. Then, an electrochemical study was carried out on an inert electrode (tungsten) and confirmed the thermodynamic predictions: Pu(IV) is spontaneously reduced into Pu(III) in presence of carbon and Pu(III) is directly reduced into Pu(0): Pu(III) + 3e− = Pu(0). Moreover, Pu(III) reduction mechanism is a diffusion controlled process. Diffusion coefficients were calculated at different temperatures and obey to an Arrhenius' type law with an activation energy of 63 3 kJ mol−1. The standard potential of Pu(III)/Pu(0) was determined at 1113 K and is found to be −4.61 V vs. F2 (gaz)/F−. This value permitted to calculate activity coefficients for several molalities.

Published
2019

27. Selective Electrochemical Conversion of Glycerol to Glycolic Acid and Lactic Acid on a Mixed Carbon-Black Activated Carbon Electrode in a Single Compartment Electrochemical Cell

Author

Mohamed Kheireddine Aroua, Mohammed A. Ajeel, Patrick Cognet, Yolande Pérès, Wan Mohd Ashri Wan Daud, Ching Shya Lee, Al-Karkh University of Science (IRAQ), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Sunway University (MALAYSIA), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Lancaster University (UNITED KINGDOM), University of Malaya - UM (MALAYSIA), Laboratoire de Génie Chimique - LGC (Toulouse, France), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), University of Malaya [Kuala Lumpur, Malaisie], Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Sunway University [Malaysia], Lancaster University, and Al-Karkh University of Science (KUS)

Subjects
Glyceric acid, Glycerol, Dihydroxyacetone, 02 engineering and technology, glycerol, 010402 general chemistry, 01 natural sciences, Catalysis, lcsh:Chemistry, chemistry.chemical_compound, Glycolic acid, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Electro-oxidation, Génie des procédés, Electro-reduction, Original Research, Acrolein, lactic acid, Lactic acid, General Chemistry, 021001 nanoscience & nanotechnology, glycolic acid, 0104 chemical sciences, Chemistry, chemistry, lcsh:QD1-999, Biodiesel production, electro-reduction, [CHIM.OTHE]Chemical Sciences/Other, 0210 nano-technology, electro-oxidation, Nuclear chemistry
Abstract

International audience; In recent years, the rapid swift increase in world biodiesel production has caused an oversupply of its by-product, glycerol. Therefore, extensive research is done worldwide to convert glycerol into numerous high added-value chemicals i.e., glyceric acid, 1,2-propanediol, acrolein, glycerol carbonate, dihydroxyacetone, etc. Hydroxyl acids, glycolic acid and lactic acid, which comprise of carboxyl and alcohol functional groups, are the focus of this study. They are chemicals that are commonly found in the cosmetic industry as an antioxidant or exfoliator and a chemical source of emulsifier in the food industry, respectively. The aim of this study is to selectively convert glycerol into these acids in a single compartment electrochemical cell. For the first time, electrochemical conversion was performed on the mixed carbon-black activated carbon composite (CBAC) with Amberlyst-15 as acid catalyst. To the best of our knowledge, conversion of glycerol to glycolic and lactic acids via electrochemical studies using this electrode has not been reported yet. Two operating parameters i.e., catalyst dosage (6.4–12.8% w/v) and reaction temperature [room temperature (300 K) to 353 K] were tested. At 353 K, the selectivity of glycolic acid can reach up to 72% (with a yield of 66%), using 9.6% w/v catalyst. Under the same temperature, lactic acid achieved its highest selectivity (20.7%) and yield (18.6%) at low catalyst dosage, 6.4% w/v.

Published
2019

28. Detailed investigation of the surface mechanisms and their interplay with transport phenomena in alumina atomic layer deposition from TMA and water

Author

Emmanuel Scheid, Brigitte Caussat, G.P. Gakis, Andreas G. Boudouvis, Constantin Vahlas, Hugues Vergnes, National Technical University of Athens [Athens] (NTUA), Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Équipe Matériaux et Procédés pour la Nanoélectronique (LAAS-MPN), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Institut National des Sciences Appliquées de Toulouse - INSA (FRANCE), National Technical University of Athens - NTUA (GREECE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), and Institut National Polytechnique de Toulouse - INPT (FRANCE)

Subjects
Materials science, General Chemical Engineering, Matériaux, Mécanique des fluides, Kinetics, Flow (psychology), Alumina, 02 engineering and technology, Industrial and Manufacturing Engineering, Atomic layer deposition, Adsorption, 020401 chemical engineering, Desorption, Deposition (phase transition), Génie chimique, 0204 chemical engineering, TMA, Génie des procédés, Applied Mathematics, Surface mechanisms, Milieux fluides et réactifs, General Chemistry, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Chemical engineering, ALD, Scientific method, 0210 nano-technology, Transport phenomena, CFD
Abstract

International audience; The surface mechanisms involved in the Atomic Layer Deposition of Al2O3 from TMA and H2O are investigated by means of combined experimental and computational analyses. Reactant adsorption, desorption and surface reaction are taken into account by a surface chemistry model, coupled to a CFD model for an industrial reactor treating 200 mm substrates. Once the model validated by comparison with experimental deposition rates, the relative contribution of each surface phenomenon is quantitatively determined between 100 and 300 °C through original reaction probability calculations. It is revealed that the competition between surface reactions and desorption of adsorbed H2O plays a crucial role in the ALD growth of alumina. The H2O desorption is the limiting factor for the growth at low process temperature whereas it is the OH group surface concentration at higher temperature. This integrated (surface chemistry/kinetics and CFD) model shows a direct link between transport phenomena, such as gas flow recirculation and low temperature zones in the reactor, and film uniformity.

Published
2019

29. Micropollutant rejection of annealed polyelectrolyte multilayer based nanofiltration membranes for treatment of conventionally-treated municipal wastewater

Author

Wiebe M. de Vos, Lisendra Marbelia, Claire Albasi, Claire Joannis-Cassan, Pejman Ahmadiannamini, Ivo F.J. Vankelecom, S. Mehran Abtahi, Abaynesh Yihdego Gebreyohannes, Centre National de la Recherche Scientifique - CNRS (FRANCE), FUJIFILM Electronic Materials Inc (USA), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), University of Twente (NETHERLANDS), Laboratoire de Génie Chimique - LGC (Toulouse, France), Centre for Surface Chemistry and Catalysis, Catholic University of Leuven - Katholieke Universiteit Leuven (KU Leuven), University of Twente [Netherlands], Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Institut National Polytechnique de Toulouse - INPT (FRANCE), and Membrane Science & Technology

Subjects
Polyelectrolyte multilayers, Technology, Engineering, Chemical, PHARMACEUTICALLY ACTIVE COMPOUNDS, Ultrafiltration, UT-Hybrid-D, Filtration and Separation, 02 engineering and technology, ADVANCED OXIDATION PROCESSES, TRACE ORGANIC-CHEMICALS, FILMS, REVERSE-OSMOSIS, LAYERS, Analytical Chemistry, law.invention, Hydrophobic effect, chemistry.chemical_compound, Engineering, REMOVAL, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, law, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0204 chemical engineering, Génie des procédés, Filtration, Acrylic acid, Science & Technology, Chemistry, Thermal annealing, Polyacrylonitrile, SALT, 021001 nanoscience & nanotechnology, 6. Clean water, Polyelectrolyte, Nanofiltration, CONCENTRATE, Membrane, Chemical engineering, IONIC-STRENGTH, Micropollutants, 0210 nano-technology, Salt-annealing
Abstract

© 2018 The Authors The ever-increasing concentrations of micropollutants (MPs) found at the outlet of conventional wastewater treatments plants, is a serious environmental concern. Polyelectrolyte multilayer (PEM)-based nanofiltration (NF) membranes are seen as an attractive approach for MPs removal from wastewater effluents. In this work, PEMs of poly(allylamine hydrochloride) (PAH) and poly(acrylic acid) (PAA) were coated in a layer by layer (LbL) fashion on the surface of a polyacrylonitrile ultrafiltration support to obtain PEM-based NF membranes. The impact of PEM post-treatment, by applying salt and thermal annealing, was then investigated in terms of swelling, hydrophilicity, permeability, and ion rejection. While thermal annealing produced a more compact structure of PEM, it did not improve the ion rejection. Among the different salt concentrations examined for the salt-annealing process, the highest ion rejection was observed for (PAH/PAA)15 membranes annealed in 100 mM NaNO3, interestingly without any decrease in the water permeability. This membrane was studied for the rejection of four MPs including Diclofenac, Naproxen, 4n-Nonylphenol and Ibuprofen from synthetic secondary-treated wastewater, over a filtration time of 54 h. At an early stage of filtration, the membrane became more hydrophobic and a good correlation was found between the compounds hydrophobicity and their rejection. As the filtration continued until the membrane saturation, an increase in membranes hydrophilicity was observed. Hence, in the latter stage of filtration, the role of hydrophobic interactions faded-off and the role of molecular and spatial dimensions emerged instead in MPs rejection. To test the suitability of the membranes for the ease of cleaning and repeated use, the sacrificial PEMs and foulants were completely removed, followed by re-coating of PEMs on the cleaned membrane. The higher MPs rejection observed in salt-annealed membranes compared to the non-annealed counterparts (52–82% against 43–69%), accompanied with still low ion rejection, confirm the high potential of PEM post-treatment to achieve better performing PEM-based NF membranes. ispartof: SEPARATION AND PURIFICATION TECHNOLOGY vol:209 pages:470-481 status: published

Published
2019

30. Study of the degradation of an organophosphorus pesticide using electrogenerated hydroxyl radicals or heat-activated persulfate

Author

Karine Groenen Serrano, Omar Benali, Yassine Aimer, Université Aboubekr Belkaid - University of Belkaïd Abou Bekr [Tlemcen], Université de Saïda Dr. Moulay Tahar, Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique - CNRS (FRANCE), Université de Saida Dr Moulay Tahar (ALGERIA), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Université Abou Bekr Belkaid Tlemcen (ALGERIA), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Biochemical oxygen demand, Radical, Filtration and Separation, 02 engineering and technology, Photochemistry, Electrochemistry, Analytical Chemistry, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, Agricultural rejection, Organophosphorus compound, Molecule, Génie chimique, Organophosphorus pesticide, Dimethoate, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0204 chemical engineering, Génie des procédés, chemistry.chemical_classification, Chemistry, Chemical oxygen demand, Mineralization (soil science), 021001 nanoscience & nanotechnology, Persulfate, 6. Clean water, Electrochemical oxidation, 0210 nano-technology, Heat-activated persulfate
Abstract

International audience; The use of pesticides and their release into the natural environment constitutes a direct threat for the environment and the living beings especially the human health. Consequently, the development of technics to detoxify the pesticide residues to reduce at least areas and contaminated matrix is needed. In the present work, a comparative study was performed on the chemical oxidation of an organophosphorus compound, the dimethoate (DIM), with sulfate radicals and hydroxyl radicals. Both oxidants are generated in situ, the sulfate radicals were produced by heat-activation of persulfate (PS) and hydroxyl radicals were generated by water electrooxidation using a boron doped diamond anode (BDD). For both cases, the target molecule has disappeared but the selective reaction of sulfate radicals with organics led to the production of intermediates which are less biodegradable than DIM since the ratio between the biological oxygen demand (BOD5) and the chemical oxygen demand (COD) has been divided by 2 within the first hour of the process. Whereas the BOD5/COD ratio during the electrochemical oxidation of DIM via hydroxyl radicals showed that it was possible to render the solution biodegradable without reaching a complete mineralization. However, it has been shown that the presence of chlorides in the solution must be avoided because of the formation of undesired organochlorides during the process.

Published
2019

31. Linseed oil as a novel eco-friendly corrosion inhibitor of carbon steel in 1 M HCl

Author

N. Gharda, Nouzha Habbadi, L. Saqalli, Abdelaziz Souizi, Y. Peres-Lucchese, Rachida Ghailane, M. Galai, M. Ebn Touhami, Université Ibn Tofaïl (UIT), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Université Ibn Tofail (MOROCCO), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Langmuir, Weight loss, food.ingredient, Carbon steel, 020209 energy, 02 engineering and technology, engineering.material, Corrosion, Corrosion inhibitor, chemistry.chemical_compound, Adsorption, food, [CHIM.GENI]Chemical Sciences/Chemical engineering, Linseed oil, 0202 electrical engineering, electronic engineering, information engineering, Materials Chemistry, Electrochemical method, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Génie des procédés, Dissolution, Extraction (chemistry), Surfaces and Interfaces, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 6. Clean water, Surfaces, Coatings and Films, chemistry, 13. Climate action, engineering, GC-MS, 0210 nano-technology, Nuclear chemistry
Abstract

The extraction of linseed oil (LO) was realized by refluxing method. The extracted oil was identified by gas chromatography method coupled with mass spectrometry (GC-MS). In order to contribute to the protection of the environment, one contemplates to try on LO as a green corrosion inhibitor. The corrosion inhibition of LO was studied by weight loss and electrochemical methods. The obtained results showed that the LO is an effective inhibitor of the carbon steel corrosion in 1[Formula: see text]M HCl solution, the inhibition efficiency increased with concentration to reach 88% at 200[Formula: see text]ppm. Furthermore, the adsorption of the inhibitor on the surface of metal in 1[Formula: see text]M HCl solution was found to obey Langmuir’s adsorption isotherm. The influences of temperature were also studied in the range from 298[Formula: see text]K to 328[Formula: see text]K. The kinetic and thermodynamic data of activation dissolution process were determined and discussed.

Published
2019

32. Electrical resistivity tomography used to characterize bubble distribution in complex aerated reactors: Development of the method and application to a semi-industrial MBR in operation

Author

Claire Albasi, Sylvie Gillot, Yannick Fayolle, Marion Alliet-Gaubert, Elodie Suard, Rémi Clément, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Institut national de Recherche en Sciences et Technologies pour l'Environnement et l'Agriculture - IRSTEA (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), Institut national de recherche en sciences et technologies pour l'environnement et l'agriculture (IRSTEA), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), and Université Fédérale Toulouse Midi-Pyrénées

Subjects
General Chemical Engineering, Bubble, 02 engineering and technology, 010402 general chemistry, Membrane bioreactor, 7. Clean energy, 01 natural sciences, Industrial and Manufacturing Engineering, Complex geometry, [CHIM.GENI]Chemical Sciences/Chemical engineering, Bioreactor, Electrical resistance tomography, Environmental Chemistry, Génie chimique, Aeration, Electrical resistivity tomography, Electronique, Process engineering, business.industry, Membrane fouling, General Chemistry, 021001 nanoscience & nanotechnology, 6. Clean water, 0104 chemical sciences, [SPI.TRON]Engineering Sciences [physics]/Electronics, Activated sludge, 13. Climate action, Hydrodynamics, Environmental science, 0210 nano-technology, business
Abstract

International audience; Membrane bioreactors (MBRs) are widely used in wastewater treatment processes. However, membrane fouling mitigation remains challenging. Several strategies have been developed industrially to enhance MBR productivity, including coarse bubble aeration. The way such aeration participates in hydrodynamic patterns is an important research topic given its major contribution to the energy costs of such facilities. The methods currently used for hydrodynamic characterization suffer from several drawbacks, mainly due to the system’s complexity. Consequently, there is a need for a nonintrusive method that could be employed in reactors with complex internal geometry and in the presence of activated sludge. This article presents the evaluation and adaptation of the electrical resistivity tomography (ERT) to gain insights into hydrodynamic conditions and to determine how bubbles are distributed within membrane bioreactors in different aeration conditions. An approach used by geophysicists was adapted to a semi-industrial MBR: a numerical procedure was used to validate ERT’s ability to recover precise information in a complex geometry such as MBR membrane tank. Experiments were conducted in a semi-industrial membrane bioreactor with clear water and activated sludge. The resulting images were analyzed in terms of bubble dispersion over a section of the pilot. Heterogeneities were detected in all configurations studied in numerical simulations, although the results also emphasize the diffuse character of gas distribution obtained with the ERT method. Experimental results highlight how gas distribution is mainly localized inside membrane modules and its homogeneity over the module depends on activated sludge rheological properties and air flow rate. MBR operation could be optimized by considering the operating conditions which provide efficient gas distribution over the membrane module obtained at a scale representative of industrial reactors.

Published
2019

33. A zwitterionic interpenetrating network for improving the blood compatibility of polypropylene membranes applied to leukodepletion

Author

Po-Ju Chen, Cheng-Chi Lien, Shuo-Hsi Tang, Pierre Aimar, Ying Fu, Antoine Venault, Gian Vincent Dizon, Yung Chang, Chung Yuan Christian University, Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Chung Yuan Christian University - CYCU (TAIWAN), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - INPT (FRANCE)

Subjects
PP membranes, Filtration and Separation, 02 engineering and technology, Poly(GMA-co-SBMA), 010402 general chemistry, 01 natural sciences, Biochemistry, law.invention, Contact angle, Biofouling, Adsorption, Leukodepletion, [CHIM.GENI]Chemical Sciences/Chemical engineering, law, Génie chimique, General Materials Science, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Physical and Theoretical Chemistry, Génie des procédés, Filtration, Whole blood, Chemistry, Poly(GMA-co-SBMA)- Antifouling, Permeation, Antifouling, Interpenetrating network, 021001 nanoscience & nanotechnology, Blood proteins, 0104 chemical sciences, Membrane, [CHIM.POLY]Chemical Sciences/Polymers, Chemical engineering, 0210 nano-technology
Abstract

International audience; Although widely used in blood-contacting devices, polypropylene (PP) membranes are prone to biofouling by plasma proteins and blood cells. The present study explores the effect of a surface zwitterionization process on the improvement of the biofouling resistance of PP membranes for leukocyte reduction filters. The modification strategy consists in forming an interpenetrating network of poly(glycidyl methacrylate-co-sulfobetaine methacrylate) (poly(GMA-co-SBMA) around the fibers of coated PP membranes, using a cross-linking agent: ethylenediamine (EDA). It is shown that with EDA, a range of poly(GMA-co-SBMA) concentration (1–5 mg/mL) leads to a 0°-water contact angle and high hydration of the networks without affecting the intrinsic porous structure of the material. Besides, the related membranes show excellent resistance to biofouling by Escherichia coli, fibrinogen, leukocytes, erythrocytes, thrombocytes and cells from whole blood with reductions in adsorption of 97%, 86%, 90%, 95%, 97% and 91%, respectively, compared to unmodified PP. Used in whole blood filtration, it is demonstrated that in the best conditions (5 mg/mL copolymer, with EDA), leukocytes can be efficiently removed (>99.99%) without altering the erythrocytes concentration in the permeate, and that leukodepletion is more efficient than that measured with a commercial hydrophilic PP blood filter (about 50% retention). Physical retention of leukocytes is only efficient if the membrane material is anti-biofouling, and so, does not interact with other blood components able to trigger leukocyte attachment/deformation.

Published
2019

34. Design of PVDF/PEGMA-b-PS-b-PEGMA membranes by VIPS for improved biofouling mitigation

Author

Antoine Venault, Yung Chang, Zhong-Ru Yang, Pierre Aimar, Séverine Carretier, Li-An Chen, Chung Yuan Christian University, Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Chung Yuan Christian University - CYCU (TAIWAN), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Materials science, VIPS process, Filtration and Separation, 02 engineering and technology, 010402 general chemistry, Methacrylate, 01 natural sciences, Biochemistry, Biofouling, Membrane formation, chemistry.chemical_compound, PVDF membrane, [CHIM.GENI]Chemical Sciences/Chemical engineering, Polymer chemistry, Copolymer, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, General Materials Science, Physical and Theoretical Chemistry, Génie des procédés, chemistry.chemical_classification, Low-biofouling, Polymer, 021001 nanoscience & nanotechnology, Polyvinylidene fluoride, 0104 chemical sciences, PEGMA-b-PS-b-PEGMA copolymer, Membrane, chemistry, Chemical engineering, 0210 nano-technology, Ethylene glycol, Protein adsorption
Abstract

International audience; Literature on the design of efficient nonfouling membranes by in-situ modification is poor, which can be explained by the difficulty to control membrane formation mechanisms when a third material is added to the casting solution, or by the lack of stability of matrix polymers with surface-modifiers. We present polyvinylidene fluoride membranes formed by vapor-induced phase separation and modified with a tri-block copolymer of poly(styrene) and poly(ethylene glycol) methacrylate moieties (PEGMA124-b-PS54-b-PEGMA124). After characterizing the copolymer, we move onto membrane formation mechanisms. Membrane formation is well controlled and leads to structure close to bi-continuous. Considering the formulation chosen, PVDF/PEGMA124-b-PS54-b-PEGMA124 solutions are less viscous and more hydrophilic than virgin PVDF solutions. Both effects promote non-solvent transfer, thus decreasing the chances for crystallization. Hydrophilic capability of membranes is increased from about 59 mg/cm3 to 650 mg/cm3, leading to a severe drop of non-specific protein adsorption, up to 85–90%, also depending on its nature. Biofouling at the micro-scale by modified Escherichia coli and Streptococcus mutans is almost totally inhibited. Finally, biofouling is importantly reduced in dynamic conditions, as measured from the water flux recovery ratio of 69.4%, after 3 water-BSA filtration cycles, much higher than with a commercial hydrophilic PVDF membrane (47.3%). These membranes hold promise as novel materials for water-treatment or blood filtration.

Published
2016

35. Membrane modules for CO 2 capture based on PVDF hollow fibers with ionic liquids immobilized

Author

Jean-Christophe Rouch, Jean-Christophe Remigy, Thibaut Savart, Jean-François Lahitte, Aurora Garea, Lucía Gómez-Coma, Angel Irabien, Universidad de Cantabria, Universidad de Cantabria [Santander], Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Universidad de Cantabria - UNICAN (SPAIN), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - INPT (FRANCE)

Subjects
Materials science, Composite number, Filtration and Separation, 02 engineering and technology, Permeance, 010402 general chemistry, 01 natural sciences, Biochemistry, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, Membrane contactors, Ionic liquids (ILs), Génie chimique, Organic chemistry, General Materials Science, Fiber, Physical and Theoretical Chemistry, Génie des procédés, Carbon dioxidecapture, PVDF, Ionic liquids(ILs), Permeation, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Fibers, Membrane, Chemical engineering, chemistry, Hollow fiber membrane, Ionic liquid, Absorption (chemistry), Carbon dioxide capture, 0210 nano-technology
Abstract

Hollow fiber membrane contactors with ionic liquids are promising alternatives to traditional spray towers and amines for carbon dioxide absorption. Ionic liquids have emerged as new alternative solvents because of their zero emission features compared with amines. The aim of this work was to compare fibers based on PVDF and different additives, as well as fibers including two different ionic liquids. On the one hand, 1-ethyl-3-methylimidazolium ethyl sulfate [emim][EtSO4] presents physical absorption, and on the other hand, 1-ethyl-3-methylimidazolium acetate [emim][Ac] presents chemical absorption. To compare the fibers under study, the thickness of the composite fiber was examined using scanning electron microscopy (SEM). The mechanical properties and the bubble point were also evaluated. Permeability tests were conducted, and the gas permeation of the composite hollow fibers was measured using pure CO2. Laboratory-made stainless steel modules were used for the tests. All of the above tests were performed with the fibers in both wet and dry conditions. It was determined that the fibers with the ionic liquid immobilized would be promising for CO2 capture because the CO2 permeance significantly increased. Namely, D+[emim][EtSO4] achieved a 43% increase compared with the fibers without the addition of the ionic liquid, resulting in a CO2 permeance value of 57040NL/(hm2bar), which is higher than the values reported in the literature for PVDF. Moreover, the overall mass transfer coefficient for CO2 capture using the D+[emim][Ac] fibers also presented highly competitive values. This research has been funded by the Spanish Ministry Economy and Competitiveness (Projects ENE2010-14828 and CTQ2013-48280-C3-1-R).

Published
2016

36. Energy-Saving Reduced-Pressure Extractive Distillation with Heat Integration for Separating the Biazeotropic Ternary Mixture Tetrahydrofuran–Methanol–Water

Author

Jinglian Gu, Changyuan Tao, Jun Li, Vincent Gerbaud, Xinqiang You, Centre National de la Recherche Scientifique - CNRS (FRANCE), Chongqing University (CHINA), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Fuzhou University - FZU (CHINA), Laboratoire de Génie Chimique - LGC (Toulouse, France), Chongqing University [Chongqing], Fuzhou University, Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Exergy, Work (thermodynamics), Materials science, General Chemical Engineering, 02 engineering and technology, 7. Clean energy, Industrial and Manufacturing Engineering, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, Process integration, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0204 chemical engineering, Process engineering, Génie des procédés, Global optimization, business.industry, Residue curve, General Chemistry, Energy consumption, 021001 nanoscience & nanotechnology, Extractive distillation, 0210 nano-technology, business, Ternary operation
Abstract

International audience; There is rich literature on the separation of binary azeotropic mixtures, whereas few studies exist on the separation of biazeotropic ternary mixtures. In this work, we propose a systematic approach for energy-efficient extractive distillation processes for the separation of a biazeotropic mixture that involves thermodynamic insights via residue curve maps and the univolatility line to find the optimal entrainer and operating pressure, global optimization based on a proposed two-step optimization procedure, and double-effect heat integration to achieve further saving of energy consumption. An energy-saving reduced-pressure extractive distillation (RPED) with a heat integration flowsheet is then proposed to achieve the minimum total annual cost (TAC). The results show that the TAC, energy consumption, and exergy loss of the proposed RPED with heat integration are reduced by 75.2%, 80.5%, and 85.8% compared with literature designs.

Published
2018

37. Degradation and mechanism of 2,4-dichlorophenoxyacetic acid (2,4-D) by thermally activated persulfate oxidation

Author

Minghua Zhou, Weilu Yang, Karine Groenen Serrano, Xiaoye Lu, Yuwei Pan, Jingju Cai, Nankai University (NKU), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Nankai University - NKU (CHINA), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - INPT (FRANCE)

Subjects
Hot Temperature, Environmental Engineering, 2,4-Dichlorophenoxyacetic acid, Health, Toxicology and Mutagenesis, Radical, Ion chromatography, 02 engineering and technology, Activation energy, 010501 environmental sciences, 01 natural sciences, Phenoxy herbicide, EPRFe2+/PS, chemistry.chemical_compound, symbols.namesake, [CHIM.GENI]Chemical Sciences/Chemical engineering, Génie chimique, Environmental Chemistry, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Génie des procédés, 0105 earth and related environmental sciences, Arrhenius equation, Herbicides, Sulfates, Temperature, Public Health, Environmental and Occupational Health, General Medicine, General Chemistry, Hydrogen-Ion Concentration, 021001 nanoscience & nanotechnology, Persulfate, Pollution, Degradation mechanism, chemistry, symbols, 4-Dichlorophenoxyacetic acid, Degradation (geology), Thermally activated persulfate, 2,4-Dichlorophenoxyacetic Acid, 0210 nano-technology, Oxidation-Reduction, Water Pollutants, Chemical, Nuclear chemistry
Abstract

International audience; The chlorinated phenoxy herbicide of 2,4-dichlorophenoxyacetic acid (2,4-D) was oxidized by thermally activated persulfate (TAP). This herbicide was studied for different persulfate dosages (0.97–7.29 g L−1), for varying initial pH levels (3–12) and temperatures (25–70 °C). Compared with Fe2+/PS, TAP could achieve a higher total organic carbon (TOC) removal under wider pH ranges of 3–12. Increasing the mole ratio of PS to 2,4-D favored for the decay of 2,4-D and the best performance was achieved at the ratio of 50. The 2,4-D degradation rate constant highly depended on the initial pH and temperature, in accordance with the Arrhenius model, with an apparent activation energy of 135.24 kJ mol−1. The study of scavenging radicals and the EPR confirmed the presence of both SO4− and OH. However, SO4− was the predominant oxidation radical for 2,4-D decay. The presence of both Cl− and CO32− inhibited the degradation of 2,4-D, whereas the effect of NO3− could be negligible. Verified by GC/MS, HPLC and ion chromatography, a possible degradation mechanism was proposed

Published
2018

38. Classification for ternary flash point mixtures diagrams regarding miscible flammable compounds

Author

Vincent Gerbaud, Horng-Jang Liaw, Nataliya Shcherbakova, Sergio da Cunha, Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, National Kaohsiung First University of Science and Technology, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), National Kaohsiung First University of Science and Technology (TAIWAN), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Ternary diagrams, General Chemical Engineering, Flash point, Evaporation, General Physics and Astronomy, Non-equilibrium thermodynamics, Thermodynamics, Ternary plot, 02 engineering and technology, Nonequilibrium thermodynamics, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0204 chemical engineering, Physical and Theoretical Chemistry, Génie des procédés, Flammable liquid, Hardware_MEMORYSTRUCTURES, Residue curve, Diagram, 021001 nanoscience & nanotechnology, Miscible flammable compound, Classification, chemistry, 0210 nano-technology, Ternary operation
Abstract

International audience; Flash point is a major indicator on the study of fire and explosion hazards of liquid mixtures. Mixtures presenting a minimum flash point behavior are particularly dangerous. It has been shown before that minimum/maximum flash point mixtures could be related with azeotropic behavior under some conditions. Since the 70's a classification of ternary azeotropic mixtures has been developed based on the topological properties of residue curve maps arising from the simple evaporation equilibrium model. In this paper we show that such a general classification also exists for flash point diagram of miscible flammable compound ternary mixtures and that it could help anticipate fire and explosion hazard in ternary mixtures. The demonstration is based on the construction of an auxiliary theoretical system under equilibrium equivalent to a non-equilibrium flash point system.

Published
2018

39. Ultra-fast precipitation of transient amorphous cerium oxalate in concentrated nitric acid media

Author

Thomas Bizien, Sébastien Teychené, Isaac Rodríguez-Ruiz, Sophie Charton, Dimitri Radajewski, CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Commissariat à l'Energie Atomique et aux énergies alternatives - CEA (FRANCE), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), Laboratoire de Génie Chimique (LGC), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Materials science, Ultra-fast precipitation, Inorganic chemistry, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, Nitric acid, Phase (matter), Génie chimique, General Materials Science, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, High supersaturation, Génie des procédés, Binodal, Supersaturation, Precipitation (chemistry), General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 0104 chemical sciences, Amorphous solid, chemistry, Transient (oscillation), 0210 nano-technology, Cerium oxalate
Abstract

International audience; Amorphous cerium oxalate is characterized and reported here for the first time as a primary nucleating transient precursor for a more stable crystalline hydrated phase, at high supersaturation and in strong acid solutions. Preliminary results point out an initial binodal phase separation leading to precipitation.

Published
2018

40. Antimicrobial activity of metal oxide microspheres: an innovative process for homogeneous incorporation into materials

Author

Catherine Feuillolay, Laila Haddioui, Aurelie Furiga, Christine Roques, Loic Marchin, Marc Verelst, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Pylote SA (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), FONdation pour le DEveloppement de la REcherche PHARmaceutique- FONDEREPHAR (FRANCE), Centre Hospitalier Universitaire de Toulouse - CHU Toulouse (FRANCE), Centre d'Elaboration de Matériaux et d'Etudes Structurales - CEMES (Toulouse, France), Laboratoire de Génie Chimique - LGC (Toulouse, France), Matériaux Multi-fonctionnels et Multi-échelles (CEMES-M3), Centre d'élaboration de matériaux et d'études structurales (CEMES), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UPS), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées, Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), FONdation pour le DEveloppement de la REcherche PHARmaceutique - FONDEREPHAR (FRANCE), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Centre hospitalier universitaire de Toulouse - CHU Toulouse, Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Génie Chimique (LGC), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), and Centre Hospitalier Universitaire de Toulouse (CHU Toulouse)

Subjects
Oxide, chemistry.chemical_element, [SDV.CAN]Life Sciences [q-bio]/Cancer, 02 engineering and technology, Zinc, [CHIM.THER]Chemical Sciences/Medicinal Chemistry, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, Antimicrobial activity, 010402 general chemistry, medicine.disease_cause, 01 natural sciences, Applied Microbiology and Biotechnology, Contamination prevention, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, Anti-Infective Agents, medicine, [CHIM.CRIS]Chemical Sciences/Cristallography, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Génie des procédés, ComputingMilieux_MISCELLANEOUS, Polypropylene, Metal oxide microspheres, biology, Bacteria, Chemistry, Magnesium, Drug Resistance, Microbial, Oxides, General Medicine, [CHIM.MATE]Chemical Sciences/Material chemistry, Polyethylene, 021001 nanoscience & nanotechnology, biology.organism_classification, Antimicrobial, Microspheres, 0104 chemical sciences, Staphylococcus aureus, Metals, Viruses, Resistant bacteria, 0210 nano-technology, Plastics, Biotechnology, Nuclear chemistry, Disinfectants
Abstract

International audience; AIMS:To investigate the potent control of microbial surface contamination of an innovative process which consists in incorporating metal oxide microspheres homogeneously into materials. Spherical microspheres containing zinc and magnesium oxides synthesized via a one-step manufacturing process (Pyrolyse Pulvérisée® ) and incorporated into different plastic matrices were evaluated for their antimicrobial activity according to JIS Z 2801 standard. A significant activity was observed for microsphere-added polyethylene coupons with a reduction of all tested bacteria populations, including Gram negative and Gram positive even expressing acquired antibiotic resistance (Escherichia coli ESBL, Staphylococcus aureus metiR). An antiviral activity higher than 2 log of reduction was also observed on H1N1 and HSV-1 viruses. This antimicrobial effect was dose-dependent and time-dependent for both polyethylene and polypropylene matrices. Antimicrobial activity was maintained after exposition to disinfectants and totally preserved 50 months after the preparation of the coupons. CONCLUSIONS:Incorporated into plastic matrices, metal oxide microspheres showed significant antibacterial and antiviral activities. SIGNIFICANCE AND IMPACT OF STUDY: This is, to our knowledge, the first report on an original process incorporating metal oxide microspheres, which have specific physico-chemical and antimicrobial properties, into materials that could be used for surface contamination prevention.

Published
2018

41. Zirconium(IV) electrochemical behavior in molten LiF-NaF

Author

Eric Mendes, Jérôme Serp, Laurent Massot, Pierre Chamelot, D. Quaranta, Mathieu Gibilaro, Commissariat à l'énergie atomique et aux énergies alternatives (CEA), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Commissariat à l'Energie Atomique et aux énergies alternatives - CEA (FRANCE), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Laboratoire de Génie Chimique (LGC), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), and Université de Toulouse (UT)

Subjects
Materials science, 020209 energy, General Chemical Engineering, Inorganic chemistry, Nucleation, Molten fluorides, chemistry.chemical_element, 02 engineering and technology, Electrochemistry, 7. Clean energy, law.invention, [CHIM.GENI]Chemical Sciences/Chemical engineering, law, Chronoamperometry, 0202 electrical engineering, electronic engineering, information engineering, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Crystallization, Génie des procédés, Eutectic system, Zirconium, Atmospheric temperature range, 021001 nanoscience & nanotechnology, chemistry, Progressive nucleation, Cyclic voltammetry, 0210 nano-technology
Abstract

International audience; Zirconium has a large number of properties that make it very attractive for different applications in several activity fields (nuclear, pyrotechnics, armament …). This article is devoted to the study of zirconium electrochemical behavior and crystallization phenomena on silver electrode in the LiF–NaF eutectic mixture in the 690–900 °C temperature range, using cyclic voltammetry, square wave voltammetry and chronoamperometry. The result showed that Zr(IV) is reduced into Zr in a simple-step exchanging four electrons and that zirconium nucleation is progressive whatever the temperature and the overvoltage. Nuclei growth takes place in all three dimensions and is limited by diffusion of Zr(IV) ions. The influence of overvoltage on the zirconium nucleation rate was also studied.

Published
2018

42. Micropollutants removal from secondary-treated municipal wastewater using weak polyelectrolyte multilayer based nanofiltration membranes

Author

S. Mehran Abtahi, Shazia Ilyas, Claire Joannis Cassan, Wiebe M. de Vos, Claire Albasi, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), University of Twente (NETHERLANDS), The Urban Unit (PAKISTAN), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Membrane Science & Technology

Subjects
Polyelectrolyte multilayers, Ultrafiltration, Filtration and Separation, 02 engineering and technology, 010501 environmental sciences, 01 natural sciences, Biochemistry, chemistry.chemical_compound, Adsorption, Génie chimique, General Materials Science, Physical and Theoretical Chemistry, Génie des procédés, 0105 earth and related environmental sciences, Acrylic acid, Apparent rejection, Chromatography, Chemistry, 021001 nanoscience & nanotechnology, Polyelectrolyte, Nanofiltration, Steady-state rejection, Membrane, Chemical engineering, Wastewater, Ionic strength, Micropollutants, 0210 nano-technology
Abstract

Nanofiltration (NF) is seen as a very promising technology to remove micropollutants (MPs) from wastewater. Unfortunately this process tends to produce a highly saline concentrate stream, as commercial NF membranes retain both the MPs and most of the ions. The high salinity makes subsequent degradation of the MPs in a bio-reactor very difficult. The main goal of this study is to prepare and study a NF membrane that combines a low salt rejection with a high MPs rejection for the treatment of secondary-treated municipal wastewater. This membrane was prepared using layer by layer (LbL) deposition of the weak polycation poly(allylamine hydrochloride) (PAH), and the weak polyanion poly(acrylic acid) (PAA), on the surface of a hollow fiber dense ultrafiltration (UF) membrane. The ionic strength of the coating solutions was varied and properties of the formed polyelectrolyte multilayers (PEMs), such as hydration, hydrophilicity, hydraulic resistance and ions retention were studied. Subsequently we tested the apparent and steady state rejection of MPs from synthetic wastewater under cross-flow conditions. The synthetic wastewater contained the MPs Diclofenac, Naproxen, Ibuprofen and 4n-Nonylphenol, all under relevant concentrations (0.5–40 µg/L, depending on the MP). PEMs prepared at lower ionic strength showed a lower hydration and consequently a better retention of MPs than PEMs prepared at higher ionic strengths. A strong relationship between the apparent rejection of MPs and their hydrophobicity was observed, likely due to adsorption of the more hydrophobic MPs to the membrane surface. Once saturated (steady state), the molecular size of the MPs showed the best correlation with their rejection, indicating rejection on the basis of size exclusion. In contrast to available commercial NF membranes with both high salt and MP rejection, we have prepared an unique membrane with a very low NaCl retention (around 17%) combined with a very promising removal of MPs, with Diclofenac, Naproxen, Ibuprofen and 4n-Nonylphenol being removed up to 77%, 56%, 44% and 70% respectively. This membrane would allow the treatment of secondary treated municipal wastewater, strongly reducing the load of MPs, without producing a highly saline concentrate stream.

Published
2018

43. Transition metals-incorporated zeolites as environmental catalysts for indoor air ozone decomposition

Author

Elham F. Mohamed, Gamal Awad, Caroline Andriantsiferana, Marie-Hélène Manero, Hicham Zaitan, National Research Center, Sidi Mohammed Ben Abdellah University, Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), National Research Center - NRC (Egypt), Université Sidi Mohamed Ben Abdellah - USMBA (MOROCCO), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Ozone, Inorganic chemistry, 02 engineering and technology, 010402 general chemistry, 7. Clean energy, 01 natural sciences, Catalysis, law.invention, chemistry.chemical_compound, Transition metal, law, Specific surface area, Environmental Chemistry, Génie chimique, Calcination, Fourier transform infrared spectroscopy, Zeolite, Génie des procédés, Waste Management and Disposal, Water Science and Technology, Catalysts, [SDE.IE]Environmental Sciences/Environmental Engineering, Ozone decomposition, General Medicine, Zeolite ZSM-5, Transition metals, [CHIM.CATA]Chemical Sciences/Catalysis, 021001 nanoscience & nanotechnology, Decomposition, 0104 chemical sciences, chemistry, 13. Climate action, Metals, Air Pollution, Indoor, Zeolites, Indoor air, 0210 nano-technology, [CHIM.OTHE]Chemical Sciences/Other, Ion exchange
Abstract

International audience; The present study aimed to prepare catalysts of Fe- and Cu-loaded zeolite via ion-exchange technique using dilute solutions of metal nitrate precursors followed by calcination at 600°C in the air for 4 h. Commercial zeolite ZSM-5 with specific surface area of 400 m2/g and diameter particle of 1.2-2 mm was used as a parent support. The prepared catalysts were characterized by Fourier transform infrared spectroscopy analysis. The IR absorbed bands of Cu-ZSM-5 and Fe-ZSM-5 revealed a shift in the frequency and a reduction in the intensity framework. This indicates that both catalysts have a significant change in the number of the zeolite structure bonds. The catalytic activity of the prepared materials compared to the parent zeolite was evaluated for the catalytic ozone decomposition. The ozone stream of the initial concentration (13 g/m3) with air flow rate (Q) of 0.18 m3/h was passed through a glass jacket column reactor filled with a fixed bed of 40 g zeolites. It was showed that the ozone removal efficiency by Cu-ZSM-5 and Fe-ZSM-5 was obviously higher than that found with the parent ZSM-5. In terms of O3 removal efficiency, zeolite samples could be ranked as follows: Fe-ZSM-5 > Cu-ZSM-5> parent ZSM-5. The results revealed about 90% O3 removal efficiency for Fe-ZSM-5 and 70% for Cu-ZSM-5 as compared to nearly 40% for the parent zeolite. Consequently, the incorporation of Fe and Cu metals onto the zeolite surface plays a key role for enhancing the gaseous ozone elimination

Published
2018

44. Three-dimensional Numerical Simulation of Upflow BubblingFluidized Bed in Opaque Tube Under High Flux Solar Heating

Author

Gilles Flamant, Hadrien Benoit, Hervé Neau, Renaud Ansart, Olivier Simonin, Pablo García-Triñanes, Procédés, Matériaux et Energie Solaire (PROMES), Université de Perpignan Via Domitia (UPVD)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Institut de mécanique des fluides de Toulouse (IMFT), University of Greenwich, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), University of Greenwich (UNITED KINGDOM), Université de Perpignan Via Domitia - UPVD (FRANCE), Institut de Mécanique des Fluides de Toulouse - IMFT (Toulouse, France), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UPS (FRANCE), Laboratoire Procédés, Matériaux et Energie Solaire - PROMES (Perpignan, France), and Laboratoire de Génie Chimique - LGC (Toulouse, France)

Subjects
Convection, Environmental Engineering, Materials science, General Chemical Engineering, Mécanique des fluides, Gas–particle flow, 3D numerical simulation, 02 engineering and technology, Heat transfer coefficient, 7. Clean energy, Physics::Fluid Dynamics, 020401 chemical engineering, Concentrated solar power, Radiative transfer, [PHYS.MECA.MEFL]Physics [physics]/Mechanics [physics]/Fluid mechanics [physics.class-ph], 0204 chemical engineering, Euler–euler model, heat transfer fluid, Multiphase flow, Mechanics, 021001 nanoscience & nanotechnology, Heat flux, Particle solar receiver, Heat transfer, Particle, 0210 nano-technology, Biotechnology
Abstract

International audience; Solid particles can be used as a heat transfer medium in concentrated solar power plants to operate at higher temperature and achieve higher heat conversion efficiency than using the current solar heat transfer fluids that only work below 600°C. Among various particle circulation concepts, the dense particle suspension (DPS) flow in tubes, also called upflow bubbling fluidized bed (UBFB), was studied in the frame of the CSP2 FP7 European project. The DPS capacity to extract heat from a tube absorber exposed to concentrated solar radiation was demonstrated and the first values of the tube wall-to-DPS heat transfer coefficient were measured. A stable outlet temperature of 750°C was reached with a metallic tube, and a particle reflux in the near tube wall region was evidenced. In this article, the UBFB behavior is studied using the multiphase flow code NEPTUNE_CFD. Hydrodynamics of SiC Geldart A-type particles and heat transfer imposed by a thermal flux at the wall are coupled in two-dimensional unsteady numerical simulations. The convective/diffusive heat transfer between the gas and dispersed phase, and the inter-particle radiative transfer (Rosseland approximation) are accounted for. Simulations and experiments are compared here and the temperature influence on the DPS flow is analyzed.

Published
2018

45. Optimization of pre-concentration, entrainer recycle and pressure selection for the extractive distillation of acetonitrile-water with ethylene glycol

Author

Jinglian Gu, Vincent Gerbaud, Xinqiang You, Changiun Peng, Honglai Liu, East China University of Science and Technology, Chongqing University [Chongqing], Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique - CNRS (FRANCE), Chongqing University (CHINA), East China University of Science and Technology - ECUST (CHINA), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Materials science, General Chemical Engineering, 02 engineering and technology, Energy savings, 7. Clean energy, Industrial and Manufacturing Engineering, law.invention, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, Impurity, law, Azeotropic distillation, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0204 chemical engineering, Génie des procédés, Process engineering, Distillation, Relative volatility, business.industry, Applied Mathematics, General Chemistry, Energy consumption, 021001 nanoscience & nanotechnology, Pareto front, Reduced pressure, Volumetric flow rate, Multi-objective optimization, chemistry, Extractive distillation, 0210 nano-technology, business, Ethylene glycol
Abstract

International audience; We optimize the extractive distillation process for separating the acetonitrile – water azeotropic mixture with ethylene glycol by using a multi-objective genetic algorithm for minimizing under purity constraints the total cost, the energy consumption and the separation efficiency. For the first time we have shown the interest of five aspects by considering them simultaneously 1) the pre-concentration column has been included and 2) there is no need to set a distillate composition constraint (like being at the azeotropic composition) in the pre-concentration column. 3) The operating pressure should be lower than 1 atm because it enhances the relative volatility for 1.0-1a class system. 4) A closed loop optimization must be run, to handle the effect of impurity in the entrainer recycle since too much impurity limits the main product recovery and purity from the extractive column. 5) All three columns process must be optimized together rather than sequentially and with multiple objectives. The studied system belongs to class 1.0-1a and the impurity of the recycled entrainer has strong effect on the purity of acetonitrile product. Overall, 17 variables are optimized; column trays, all feed locations, refluxes, entrainer flow rate and all distillate products; under purity constraints for the acetonitrile and water product and for the entrainer recycle impurity. Among nearly 400 designs satisfying the purity specifications, the design case 3 shows an energy consumption and TAC reduced by more than 20% than a literature reference case, thanks to smaller entrainer flow rate, a reduction of 32 trays and lower operating pressures. The best design is a trade-off between first a feasibility governed by thermodynamics through composition profiles and relative volatility maps and second process cost and energy demands.

Published
2018

46. Membrane Distillation Trial on Textile Wastewater Containing Surfactants Using Hydrophobic and Hydrophilic-Coated Polytetrafluoroethylene (PTFE) Membranes

Author

Nick Milne, Mikel Duke, Stephen Gray, Leslie Naidoo, Jianhua Zhang, Jesús Villalobos García, Noel Dow, Victoria University [Melbourne], Australian Textile Mills (AUSTRALIA), Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - INPT (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Victoria University (AUSTRALIA), Laboratoire de Génie Chimique - LGC (Toulouse, France), and Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)

Subjects
Materials science, Filtration and Separation, Membrane distillation, 02 engineering and technology, lcsh:Chemical technology, Desalination, Article, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, Génie chimique, Chemical Engineering (miscellaneous), lcsh:TP1-1185, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, lcsh:Chemical engineering, 0204 chemical engineering, Génie des procédés, Polytetrafluoroethylene, Process Chemistry and Technology, lcsh:TP155-156, Permeation, 021001 nanoscience & nanotechnology, 6. Clean water, Membrane, chemistry, Chemical engineering, Sodium hydroxide, Hydrophilic membrane, Coated membrane, Wetting, 0210 nano-technology
Abstract

Treating wastewater from textile plants using membrane distillation (MD) has great potential due to the high-salinity wastes and availability of waste heat. However, textile wastewaters also contain surfactants, which compromise the essential hydrophobic feature of the membrane, causing membrane wetting. To address this wetting issue, a custom-made membrane consisting of a hydrophilic layer coated on hydrophobic polytetrafluoroethylene (PTFE) was tested on textile wastewater in a pilot MD setup, and compared with a conventional hydrophobic PTFE membrane. The test was carried out with a feed temperature of 60 &deg, C, and a permeate temperature of 45 &deg, C. The overall salt rejection of both membranes was very high, at 99%. However, the hydrophobic membrane showed rising permeate electrical conductivity, which was attributed to wetting of the membrane. Meanwhile, the hydrophilic-coated membrane showed continually declining electrical conductivity demonstrating an intact membrane that resisted wetting from the surfactants. Despite this positive result, the coated membrane did not survive a simple sodium hydroxide clean, which would be typically applied to a membrane process. This brief study showed the viability of membrane distillation membranes on real textile wastewaters containing surfactants using hydrophilic-coated hydrophobic PTFE, but the cleaning process required for membranes needs optimization.

Published
2018

47. CO2‑Expanded alkyl acetates: physicochemical and molecular modeling study and applications in chemical processes

Author

Jean-Stéphane Condoret, Yaocihuatl Medina-Gonzalez, Devin Machin, Corinne Lacaze-Dufaure, Séverine Camy, Emanuel Granero-Fernandez, Vincent Gerbaud, Paul A. Charpentier, Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, University of Western Ontario (UWO), Centre interuniversitaire de recherche et d'ingenierie des matériaux (CIRIMAT), Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), University of Western Ontario - UWO (CANADA), Laboratoire de Génie Chimique - LGC (Toulouse, France), Institut National Polytechnique de Toulouse - INPT (FRANCE), Laboratoire de génie chimique ( LGC ), Institut National Polytechnique [Toulouse] ( INP ) -Université Paul Sabatier - Toulouse 3 ( UPS ) -Centre National de la Recherche Scientifique ( CNRS ), University of Western Ontario ( UWO ), and Centre interuniversitaire de recherche et d'ingenierie des matériaux ( CIRIMAT )

Subjects
Materials science, Molecular model, General Chemical Engineering, Matériaux, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Molecular dynamics, Viscosity, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, Phase (matter), Environmental Chemistry, Génie chimique, Spectroscopy, Solvent properties, [ CHIM.GENI ] Chemical Sciences/Chemical engineering, Alkyl, chemistry.chemical_classification, Renewable Energy, Sustainability and the Environment, Gas-expanded liquids, Nile red, General Chemistry, 021001 nanoscience & nanotechnology, Biosourced solvents, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, chemistry, Chemical engineering, [ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry, Alkyl acetates, Hypsochromic shift, Green solvents, 0210 nano-technology
Abstract

International audience; Different physicochemical properties of CO2-expanded alkyl acetates (methyl, ethyl, propyl, and isoamyl acetates) have been studied by experimental and molecular modeling methods. Changes in the π* Kamlet−Taft parameter with CO2 pressure were determined by UV−vis spectroscopy by following the hypsochromic shift of Nile Red. Modeling of the systems by molecular dynamics (MD) and equation of state (EoS) methods to assess physical equilibrium, density, and viscosity were performed in order to fully characterize these media with the aim to control the physicochemical properties of these phases by pressure and temperature. The studied expanded phases were used in the fabrication of TiO2 microparticles and the morphological properties measured. It is clear from this study that density, viscosity, and polarity of the expanded phase plays a key role in the morphological properties of the particles obtained. On the basis of these results, we propose these green media and CO2 pressure as a way to control the properties of semiconductor microparticles.

Published
2018

48. In Situ Metalorganic Deposition of Silver Nanoparticles on Gold Substrate and Square Wave Voltammetry: A Highly Efficient Combination for Nanomolar Detection of Nitrate Ions in Sea Water

Author

Myrtil L. Kahn, Alix Sournia-Saquet, Emilie Lebon Tailhades, Maurice Comtat, Pierre Temple-Boyer, Katia Fajerwerg, Pierre Fau, Brigitte Dubreuil, Philippe Behra, Laboratoire de chimie de coordination (LCC), Institut de Chimie de Toulouse (ICT), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS), RTRA-STAE, Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT), Équipe MICrosystèmes d'Analyse (LAAS-MICA), Laboratoire d'analyse et d'architecture des systèmes (LAAS), Université Toulouse Capitole (UT Capitole), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université Toulouse - Jean Jaurès (UT2J), Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université Toulouse Capitole (UT Capitole), Chimie Agro-Industrielle (CAI), Institut National de la Recherche Agronomique (INRA)-Ecole nationale supérieure des ingénieurs en arts chimiques et technologiques (ENSIACET), Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université de Toulouse (UT)-Université de Toulouse (UT), MIACTIS project: 'Microsystemes integres pour l'analyse des composes en traces in situ' (Integrated microsystems for the analyses of in situ trace compounds) as part of the overall project 'Instrumentation and Environmental Sensors' - RTRA-STAE: thematic n, LAAS-CNRS micro/nano-technologies platform, Centre National de la Recherche Scientifique (CNRS), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie de Toulouse (ICT-FR 2599), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Université Toulouse - Jean Jaurès (UT2J)-Université Toulouse 1 Capitole (UT1), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Ecole nationale supérieure des ingénieurs en arts chimiques et technologiques-Institut National de la Recherche Agronomique (INRA), Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Institut National de la Recherche Agronomique - INRA (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Fondation de Coopération Scientifique Science Technique Aéronautique et Espace - FCS STAE (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse 1 Capitole (UT1)-Université Toulouse - Jean Jaurès (UT2J)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse 1 Capitole (UT1)-Université Toulouse - Jean Jaurès (UT2J), Laboratoire de Chimie Agro-Industrielle (LCA), Institut National de la Recherche Agronomique (INRA)-Ecole Nationale Supérieure de Chimie de Toulouse, Institut National Polytechnique de Toulouse - INPT (FRANCE), Fau, Pierre, Fajerwerg, Katia, and Université Fédérale Toulouse Midi-Pyrénées-Institut de Recherche pour le Développement (IRD)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Materials science, Working electrode, Square wave voltammetry, Matériaux, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, silver metalorganic precursor, silver nanoparticles, nitrate detection, square wave voltammetry, sea water, Silver nanoparticle, Analytical Chemistry, lcsh:Biochemistry, chemistry.chemical_compound, Nitrate, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, Génie chimique, lcsh:QD415-436, Matériaux (Chimie), Physical and Theoretical Chemistry, Génie des procédés, Deposition (law), Detection limit, Substrate (chemistry), [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, Silver metalorganic precursor, eye diseases, 0104 chemical sciences, Sea water, chemistry, Material chemistry, Electrode, Seawater, Silver nanoparticles, 0210 nano-technology, Nitrate detection, Nuclear chemistry
Abstract

The electro-reduction of nitrate ions in artificial sea water was investigated at a gold substrate (EAu) functionalized by silver nanoparticles (AgNPs). These AgNPs were generated in situ on the gold substrate by the direct decomposition of the metalorganic N,N′-diisopropylacetamidinate silver precursor [Ag(Amd)] in the liquid phase. Very small and well dispersed AgNPs were deposited on the gold electrode and then used as working electrode (EAu/AgNPs). Square wave voltammetry (SWV) was successfully employed to detect nitrate ions (NO3−) with a detection limit (LOD) of 0.9 nmol∙L−1 in artificial sea water (pH = 6.0) without pre-concentration or pH adjustment.

Published
2018

49. Indirect electrochemical oxidation of 2,4-dichlorophenoxyacetic acid using electrochemically-generated persulfate

Author

André Savall, Karine Groenen Serrano, Minghua Zhou, Ye Liu, Jingju Cai, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Nankai University - NKU (CHINA), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), Laboratoire de Génie Chimique - LGC (Toulouse, France), Institut National Polytechnique de Toulouse - INPT (FRANCE), Nankai University (NKU), Laboratoire de Génie Chimique (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National Polytechnique (Toulouse) (Toulouse INP), and Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)

Subjects
Environmental Engineering, Health, Toxicology and Mutagenesis, Inorganic chemistry, Persulfate, 02 engineering and technology, 010501 environmental sciences, Electrochemistry, Electrosynthesis, 01 natural sciences, Chemical reaction, Electrolysis, law.invention, chemistry.chemical_compound, law, Environmental Chemistry, Génie chimique, Génie des procédés, Boron-doped diamond anode, 0105 earth and related environmental sciences, [SDE.IE]Environmental Sciences/Environmental Engineering, Herbicides, Sulfates, Public Health, Environmental and Occupational Health, Temperature, Sulfuric acid, General Medicine, General Chemistry, 021001 nanoscience & nanotechnology, Pollution, Decomposition, Anode, Electrochemical oxidation, chemistry, 2,4- Dichlorophenoxyacetic acid, Sulfate radical, 2-4-Dichlorophenoxyacetic acid, 2,4-Dichlorophenoxyacetic Acid, 0210 nano-technology, [CHIM.OTHE]Chemical Sciences/Other, Oxidation-Reduction, Water Pollutants, Chemical
Abstract

International audience; This research investigated persulfate electrosynthesis using a boron-doped diamond anode and a chemical reaction of persulfate in its activated form with an herbicide, 2,4-Dichlorophenoxyacetic acid (2,4-D). The first part of this research is dedicated to the influence of the applied current density on the electrosynthesis of persulfate. The first part shows that for a 2 M sulfuric acid, the current efficiency reached 96% for 5 mA/cm2 and dropped to 52% for a higher current density (100 mA cm−2). This fall cannot be explained by mass transfer limitations: an increase in temperature (from 9 to 30 °C) during electrolysis leads to the decomposition of 23% of the persulfate. The second part of this research shows that a quasi-complete degradation of the target herbicide can be reached under controlled operating conditions: (i) a high ratio of initial concentrations [Persulfate]/[2,4-D], (ii) a minimum temperature of 60 °C that produces sulfate radicals by heat decomposition of persulfate, and (iii) a sufficient contact time between reactants is required under dynamic conditions.

Published
2017

50. Preparation of multifunctional hollow fiber nanofiltration membranes by dynamic assembly of weak polyelectrolyte multilayers

Author

Jean-François Lahitte, Renee English, Shazia Ilyas, Pierre Aimar, Wiebe M. de Vos, Centre National de la Recherche Scientifique - CNRS (FRANCE), Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE), Université Toulouse III - Paul Sabatier - UT3 (FRANCE), University of Twente (NETHERLANDS), The Urban Unit (PAKISTAN), Laboratoire de Génie Chimique - LGC (Toulouse, France), University of Twente [Netherlands], Laboratoire de génie chimique [ancien site de Basso-Cambo] (LGC), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées, The Urban Unit, Membrane Science & Technology, and Institut National Polytechnique de Toulouse - INPT (FRANCE)

Subjects
Polyelectrolyte multilayers, Materials science, Weak polyelectrolytes, Ultrafiltration, 02 engineering and technology, engineering.material, 010402 general chemistry, 01 natural sciences, Dip-coating, [CHIM.GENI]Chemical Sciences/Chemical engineering, Colloid and Surface Chemistry, Coating, Polymer chemistry, Génie chimique, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Fiber, Génie des procédés, Membrane fouling, Antifouling, 021001 nanoscience & nanotechnology, Polyelectrolyte, 0104 chemical sciences, Membrane, Chemical engineering, Easy cleaning, engineering, Nanofiltration, 0210 nano-technology, Layer by layer assembly, Dynamic coating
Abstract

International audience; In this work, we investigate the effect of preparation conditions for dynamic layer-by-layer (LbL) coating, to prepare multifunctional hollow fiber nanofiltration (NF) membranes. Dynamic coating was performed at constant pressure and at variable cross flow speeds. In this way, polyelectrolyte multilayers (PEMs) were formed of the weak polyelectrolytes poly(acrylic acid) (PAA) and poly(allylamine hydrochloride) (PAH), on a negatively charged polyethersulfone ultrafiltration (UF) support. The resulting membrane performance was investigated and compared to membranes prepared by different methods (dip coating and dead end filtration), and it was found to be comparable. It was shown that PAH/PAA multilayers can be fabricated reproducibly and homogenously using optimised dynamic LbL deposition conditions on single fiber module (surface area of 6.2 cm2) as well as on a module of 15 fibers (surface area of 67 cm2). Moreover, the approach of dynamic coating could be easily up scaled to coat existing UF modules. The prepared membranes reject the solutes on the basis of size exclusion and Donnan exclusion, retaining small organic solutes and divalent ions. Membranes terminated with PAA exhibit a low fouling tendency compared to membranes terminated with PAH and compared to the UF support membrane. Moreover, if severe membrane fouling would occur after prolonged use, the PEM coating, including any attached foulants can be removed by rinsing with a solution that combines a low pH and a high salinity (pH 3, 3 M). The surface of bovine serum albumin (BSA) fouled membranes were successfully cleaned at least twice, after which a new PEM coating could be re-applied by active coating.

Published
2017

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