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2,607 results on '"Laboratoire Réactions et Génie des Procédés ( LRGP )"'

1. Chemical kinetics of cyclic ethers in combustion

Author

Luc-Sy Tran, Olivier Herbinet, Hans-Heinrich Carstensen, Frédérique Battin-Leclerc, Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 (PC2A), Université de Lille-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), University of Zaragoza - Universidad de Zaragoza [Zaragoza], Université de Lille, CNRS, Physicochimie des Processus de Combustion et de l'Atmosphère (PC2A) - UMR 8522, and Laboratoire Réactions et Génie des Procédés [LRGP]

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SPI]Engineering Sciences [physics], Fuel Technology, General Chemical Engineering, Energy Engineering and Power Technology, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
Abstract

International audience; Cyclic Ethers (CEs) belong to a class of compounds of importance to understand the chemistry of both the engine auto-ignition of hydrocarbon fuels and the combustion of oxygenated biofuels. This article, divided in six parts, aims at systematically analyzing how up-to-date experimental and theoretical methods were applied to unveil the gas-phase oxidation chemistry of these compounds. The first part gives a brief overview on the significance of CEs as intermediates formed during alkane low-temperature oxidation summarizing its generally accepted chemical mechanism. This part also addresses the role of CEs as potential biofuels derived from lignocellulosic biomass and discusses the production methods of these molecules and their combustion performances in engine. The second part presents the different theoretical methods dedicated to calculate the electronic structure, thermochemical and kinetic data of CEs. The third part introduces the experimental methods used in studies related to CEs with a special focus on mass spectrometry and gas chromatography. The fourth part reviews the experimental and modeling studies related to CE formation during the low-temperature oxidation of linear, branched, cyclic alkanes, alkylbenzenes, olefins, and oxygenated fuels. The fifth part analyses the published work concerning the CE degradation chemistry and highlights the dominant involved reactions. To finish, the sixth part concludes and proposes future research directions.

Published
2022

2. Accounting for molecular flexibility in photoionization: case of tert-butyl hydroperoxide

Author

Jérémy Bourgalais, Zhongming Jiang, Julien Bloino, Olivier Herbinet, Hans-Heinrich Carstensen, Gustavo A. Garcia, Philippe Arnoux, Luc-Sy Tran, Guillaume Vanhove, Laurent Nahon, Frédérique Battin-Leclerc, Majdi Hochlaf, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Scuola Normale Superiore di Pisa (SNS), University of Zaragoza - Universidad de Zaragoza [Zaragoza], Fundación Agencia Aragonesa para la Investigación y el Desarrollo (ARAID), Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 (PC2A), Université de Lille-Centre National de la Recherche Scientifique (CNRS), Laboratoire Instrumentation, Simulation et Informatique Scientifique (COSYS-LISIS), Université Gustave Eiffel, Bourgalais, Jérémy, Jiang, Zhongming, Bloino, Julien, Herbinet, Olivier, Carstensen, Hans-Heinrich, Garcia, Gustavo Adolfo, Arnoux, Pilippe, Tran, Luc Sy, Vanhove, Guillaume, Nahon, Laurent, Battin-Leclerc, Frédérique, Hochlaf, Majdi, Université de Lille, CNRS, Laboratoire Réactions et Génie des Procédés [LRGP], Scuola Normale Superiore di Pisa [SNS], 95355|||University of Zaragoza - Universidad de Zaragoza [Zaragoza], Fundación Agencia Aragonesa para la Investigación y el Desarrollo [ARAID], Synchrotron SOLEIL [SSOLEIL], Physicochimie des Processus de Combustion et de l'Atmosphère (PC2A) - UMR 8522, and Laboratoire Instrumentation, Simulation et Informatique Scientifique [COSYS-LISIS]

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [SPI]Engineering Sciences [physics], Physics::Atomic and Molecular Clusters, General Physics and Astronomy, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Physics::Chemical Physics, Settore CHIM/02 - Chimica Fisica
Abstract

International audience; tert-Butyl hydroperoxide (tBuOOH) is a common intermediate in the oxidation of organic compounds that needs to be accurately quantified in complex gas mixtures for the development of chemical kinetic models of low temperature combustion. This work presents a combined theoretical and experimental investigation on the synchrotron-based VUV single photon ionization of gas-phase tBuOOH in the 9.0 - 11.0 eV energy range, including dissociative ionization processes. Computations consist of the determination of the structures, vibrational frequencies and the energetics of neutral and ionic tBuOOH. The Franck–Condon spectrum for the tBuOOH+ (X+) + e− ← tBuOOH (X) + hν transition is computed, where special treatment is undertaken because of the flexibility of tBuOOH, in particular regarding the OOH group. Through comparison of the experimental mass-selected threshold photoelectron spectra with explicitly correlated coupled cluster calculations and Franck–Condon simulations that account for the flexibility of the molecule, an estimation of the ionization energy is given. The appearance energy of the only fragment observed within the above-mentioned energy range, identified as the tert-butyl C4H9+, is also reported. Finally, the signal branching ratio between the parent and the fragment ions is provided as a function of photon energy, essential to quantify tBuOOH in gas-phase oxidation/combustion experiments via advanced mass spectrometry techniques.

Published
2022

3. Jet-Stirred Reactor Study of Low-Temperature Neopentane Oxidation: A Combined Theoretical, Chromatographic, Mass Spectrometric, and PEPICO Analysis

Author

Luc-Sy Tran, Olivier Herbinet, Gustavo García, Philippe Arnoux, Majdi Hochlaf, Laurent Nahon, Zhandong Wang, Hans-Heinrich Carstensen, Guillaume Vanhove, Jérémy Bourgalais, Frédérique Battin-Leclerc, Janney Debleza, Binzhi Liu, Laboratoire Réactions et Génie des Procédés (LRGP), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL), Department of chemical engineering INA University of Zaragoza, Synchrotron SOLEIL (SSOLEIL), Centre National de la Recherche Scientifique (CNRS), Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 (PC2A), Université de Lille-Centre National de la Recherche Scientifique (CNRS), National Synchrotron Radiation Laboratory (NSRL), University of Science and Technology of China [Hefei] (USTC), COSYS-LISIS, Université Gustave Eiffel, IFSTTAR, Marne-la-Vallée F-77454, France (COSYS-LISIS), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), University of Zaragoza - Universidad de Zaragoza [Zaragoza], Laboratoire Instrumentation, Simulation et Informatique Scientifique (COSYS-LISIS), Université Gustave Eiffel, Université de Lille, CNRS, Laboratoire Réactions et Génie des Procédés [LRGP], Synchrotron SOLEIL [SSOLEIL], Physicochimie des Processus de Combustion et de l'Atmosphère (PC2A) - UMR 8522, National Synchrotron Radiation Laboratory [NSRL], Laboratoire Instrumentation, Simulation et Informatique Scientifique [COSYS-LISIS], and Centre National de la Recherche Scientifique (CNRS)-Université de Lille

Subjects
Kinetic modeling, General Chemical Engineering, Gadolinium, Energy Engineering and Power Technology, Nanoparticle, chemistry.chemical_element, Terbium, 010402 general chemistry, Photochemistry, 01 natural sciences, 7. Clean energy, chemistry.chemical_compound, Succinimide, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, 0103 physical sciences, Organic reactions, Oxidation, Photosensitizer, Ions, Chromatography, 010304 chemical physics, Singlet oxygen, Porphyrin, 0104 chemical sciences, Fuel Technology, Neopentane, chemistry
Abstract

International audience; The oxidation of neopentane was studied in jet-stirred reactors at atmospheric pressure over a temperature range 500–850 K and ϕ = 0.5. The products were analyzed with chromatographic, mass spectrometric, and photoelectron spectroscopic setups complemented with theoretical calculations. This combination provides a comparison of photo-ionization mass spectrometry and gas chromatography for the quantification of mole fractions and highlights the relevant differences between them, while mass-tagged photoelectron spectroscopy sheds light onto the isomeric distribution. The new data and corresponding analyses are expected to provide valuable guidance for an extension of the kinetic model and the choice of experimental methods. The main first and second O2-addition products were observed in agreement with the literature (e.g., 3,3-dimethyloxetane, acetone, isobutene, and γ-ketohydroperoxide). The simulated mole fractions of the products using a literature kinetic model were compared to the experimental results. Even though the kinetic model has been validated previously, significant discrepancies between the measured and simulated mole fractions of 2-methylpropanal and methacrolein, two fuel-specific low-temperature oxidation products, were found. Furthermore, some experimentally observed species related to γ-ketohydroperoxide decomposition were not predicted indicating that the model is incomplete. The detection of 2-methylpropanal and formic acid highlighted the importance of the Korcek-type pathway.

Published
2021

4. Levoglucosan: a promising platform molecule?

Author

Marcelo A. do Nascimento, Rodrigo O. M. A. de Souza, Robert Wojcieszak, Ivaldo I. Junior, Anthony Dufour, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Unité de Catalyse et de Chimie du Solide - UMR 8181 (UCCS), Université d'Artois (UA)-Ecole Centrale de Lille-Ecole Nationale Supérieure de Chimie de Lille (ENSCL)-Centre National de la Recherche Scientifique (CNRS)-Université de Lille, Université de Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181, Universidade Federal Rural do Rio de Janeiro [UFRRJ], Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS], Laboratoire Réactions et Génie des Procédés [LRGP], Universidade Federal Rural do Rio de Janeiro (UFRRJ), Unité de Catalyse et Chimie du Solide - UMR 8181 (UCCS), Centrale Lille Institut (CLIL)-Université d'Artois (UA)-Centrale Lille-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Lille, Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL), Université d'Artois (UA)-Centrale Lille-Institut de Chimie du CNRS (INC)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), and ANR-16-IDEX-0004,ULNE,ULNE(2016)

Subjects
[SDV.BIO]Life Sciences [q-bio]/Biotechnology, 010405 organic chemistry, Levoglucosan, [SDV]Life Sciences [q-bio], Lignocellulosic biomass, [CHIM.CATA]Chemical Sciences/Catalysis, [CHIM.MATE]Chemical Sciences/Material chemistry, 010402 general chemistry, Biorefinery, 01 natural sciences, Pollution, 0104 chemical sciences, Catalysis, Styrene, chemistry.chemical_compound, [CHIM.GENI]Chemical Sciences/Chemical engineering, chemistry, Environmental Chemistry, Organic chemistry, Molecule, [CHIM]Chemical Sciences, Cellulose, Pyrolysis, ComputingMilieux_MISCELLANEOUS
Abstract

International audience; Lignocellulosic biomass is the most abundant carbon source and it is a base of the whole biorefinery concept. Levoglucosan (1,6-anhydro-β-D-glucopyranose) (LG) is an anhydrous sugar formed as a major product during pyrolysis of cellulose. LG might be a promising chemical platform. It can be converted to different high added-value chemicals such as levoglucosenone, 5-hydroxymethylfurfural and styrene directly or through a glucose intermediate via chemical, catalytic and biochemical processes. In this critical review we focus not only on the pyrolytic methods for the synthesis of levoglucosan, but above all also on the recent scientific progress in the chemical and biochemical transformation of levoglucosan to highly valued compounds. The catalytic performances of the heterogeneous and enzymatic catalytic systems used for different reactions of LG conversion are reviewed. Specific properties of the active sites, roles of additives, and solvents and conditions are discussed in detail. We conclude on recommendations to further improve LG conversion to high added-value products.

Published
2020

5. Probing the low-temperature chemistry of di-n-butyl ether: Detection of previously unobserved intermediates

Author

Fei Qi, Meirong Zeng, Julia Wullenkord, Frédérique Battin-Leclerc, Luc-Sy Tran, Olivier Herbinet, Yuyang Li, Katharina Kohse-Höinghaus, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Universität Bielefeld, Shanghai Jiao Tong University [Shanghai], Université de Lille, CNRS, Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 [PC2A], and Laboratoire Réactions et Génie des Procédés [LRGP]

Subjects
General Chemical Engineering, Analytical chemistry, Third O2 addition, General Physics and Astronomy, Energy Engineering and Power Technology, chemistry.chemical_element, Ether, 02 engineering and technology, Biofuel, Di-n-butyl ether, Low-temperature oxidation, Butanoic acid, Double-NTC behavior, Mass spectrometry, 01 natural sciences, 7. Clean energy, Redox, chemistry.chemical_compound, 020401 chemical engineering, 0103 physical sciences, 0204 chemical engineering, Plug flow reactor model, Electron ionization, 010304 chemical physics, Chemistry, [SPI.FLUID]Engineering Sciences [physics]/Reactive fluid environment, General Chemistry, Atmospheric temperature range, Sulfur, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Fuel Technology, 13. Climate action, Gas chromatography
Abstract

International audience; Di-n-butyl ether (DBE, C8H18O) has been proposed as a promising biofuel for diesel engines, but details of its low-temperature (LT) oxidation chemistry are not well understood. This paper reports new speciation data obtained in the temperature range of 400–1100 K at ϕ=1 and nearly-atmospheric pressure, using a plug flow reactor combined with electron ionization molecular-beam mass spectrometry (MBMS) and two different jet-stirred reactors coupled with either online gas chromatography or tunable synchrotron vacuum ultraviolet photoionization-MBMS.The experimental results confirm that DBE is very reactive and exhibits two negative-temperature coefficient (NTC) zones around 500–550 K and 650–750 K. Speciation data with about 40 C0-C8 species are presented, including about 20 LT species not reported previously. Among those, fuel-specific C8H16O2 cyclic ethers were quantified. Also, butanoic acid, which is present in highest amounts among the detected LT intermediates, and C8H14O3 diones, were found to peak already near 500 K, suggesting their importance in the LT chemistry of DBE. Signals of several highly oxygenated peroxides (e.g., C8H14O5 and C8H16O6) were detected, indicating third O2 addition steps. Respective reaction pathways are suggested and discussed based on these experimental results.To better understand the LT chemistry of DBE, the present data were compared to two recent DBE models (Cai et al., 2014; Thion et al., 2017). Significant discrepancies between the experimental data and both models were found for important LT intermediates, of which many were not included in the respective mechanisms. The results reported in the present study thus provide new opportunities for refining DBE kinetic models.

Published
2019

6. Low-temperature gas-phase oxidation of diethyl ether: Fuel reactivity and fuel-specific products

Author

Yuyang Li, Frédérique Battin-Leclerc, Eike Bräuer, Luc-Sy Tran, Fei Qi, Meirong Zeng, Katharina Kohse-Höinghaus, Julia Wullenkord, Olivier Herbinet, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 (PC2A), Université de Lille-Centre National de la Recherche Scientifique (CNRS), Universität Bielefeld, School of Mechanical Engineering Shanghai Jiao Tong University, Shanghai Jiao Tong University [Shanghai], Université de Lille, CNRS, Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 [PC2A], Laboratoire Réactions et Génie des Procédés [LRGP], and Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)

Subjects
Diethyl ether, 020209 energy, General Chemical Engineering, Analytical chemistry, 02 engineering and technology, Photoionization, Mass spectrometry, 7. Clean energy, 01 natural sciences, 010305 fluids & plasmas, chemistry.chemical_compound, Acetic acid, Biofuel, 0103 physical sciences, 0202 electrical engineering, electronic engineering, information engineering, Reactivity (chemistry), [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Physical and Theoretical Chemistry, Plug flow reactor model, Dual NTC zone phenomenon, Electron ionization, Mechanical Engineering, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, chemistry, 13. Climate action, Gas chromatography, Low-temperature oxidation, Detailed kinetic model
Abstract

International audience; Diethyl ether (DEE) has been recently suggested as a potential biofuel for compression-ignition engines that are known to be significantly controlled by low-temperature (LT) chemistry. However, the LT oxidation of DEE has not fully been understood in term of the formation of LT fuel-specific products. We have thus studied the oxidation of DEE by examining detailed profiles of its oxidation products under LT conditions (400-1100 K). To this end, we have used a dedicated experimental setup including a nearly-atmospheric jet-stirred reactor (JSR) coupled to online gas chromatography (GC). The experiments were complemented by measurements made with a JSR coupled to tunable synchrotron vacuum ultraviolet (SVUV) photoionization (PI) molecular-beam mass spectrometry (MBMS) for a cross-validation of the identification of important LT species. Experimental results indicate that DEE is very reactive; it starts to react around 425 K. DEE exhibits an unusual oxidation behavior with two negative temperature coefficient (NTC) zones in the JSR study. Because of this two-NTC observation, additional experiments were performed with a plug flow reactor (PFR) combined with electron ionization (EI)-MBMS, confirming this behavior in the two types of reactor. Moreover, about 20 oxidation species in C1-C4 range were detected with several intermediates containing 2-3 O-atoms. Acetic acid is found to peak at 525 K with a very large amount, suggesting that it is a key species in the early stage of DEE's LT oxidation. Possible DEE-consumption paths leading to acetic acid formation could play an important role in the oxidation mechanism of DEE. A new model is proposed based on the present experimental observations to include new primary LT reaction paths. The model reproduces the experimental phenomena quite well and enhances the understanding of the two-NTC-zone occurrence and of intermediates containing 2-3 O-atoms during the LT oxidation of DEE.

Published
2018

7. Transfert de la charge polluante (matière en suspension, NACI) au sein d'un bassin de rétention routier

Author

barbier , lucie, Suaire , Rémi, Béchet , Béatrice, Durickovic , Ivana, Simonnot , Marie-Odile, Durickovic, Ivana, Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est ( Cerema Direction Est ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement ( Cerema ), Eau et Environnement ( IFSTTAR/GERS/EE ), Institut Français des Sciences et Technologies des Transports, de l'Aménagement et des Réseaux ( IFSTTAR ) -PRES Université Nantes Angers Le Mans ( UNAM ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est (Cerema Direction Est), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement (Cerema), Eau et Environnement (IFSTTAR/GERS/EE), Institut Français des Sciences et Technologies des Transports, de l'Aménagement et des Réseaux (IFSTTAR)-PRES Université Nantes Angers Le Mans (UNAM), Laboratoire Réactions et Génie des Procédés (LRGP), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

Subjects
POLLUTION DES EAUX, [CHIM.ANAL] Chemical Sciences/Analytical chemistry, POLLUTION, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, METAL, CHLORURE DE SODIUM, [ CHIM.ANAL ] Chemical Sciences/Analytical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

PIARC 2018, The 15th International Winter Road Congress, Gdansk, POLOGNE, 20-/02/2018 - 23/03/2018

Published
2018

8. A Photosensitizer Lanthanide Nanoparticle Formulation that Induces Singlet Oxygen with Direct Light Excitation, But Not By Photon or X-ray Energy Transfer

Author

Bruno Viana, Rima Chouikrat, Christophe Dujardin, Francis Baros, Anne-Laure Bulin, Jean-Claude André, Régis Vanderesse, Marc Verelst, Céline Frochot, Philippe Arnoux, 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)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut de Recherche pour le Développement (IRD)-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 Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie Physique Macromoléculaire (LCPM), Laboratoire de Chimie de la Matière Condensée de Paris (site Paris VI) (LCMCP (site Paris VI)), Université Pierre et Marie Curie - Paris 6 (UPMC)-Collège de France (CdF (institution))-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP)-Centre National de la Recherche Scientifique (CNRS), INSERM U836, équipe 6, Rayonnement synchrotron et recherche médicale, Grenoble Institut des Neurosciences (GIN), Institut National de la Santé et de la Recherche Médicale (INSERM)-CHU Grenoble-Université Joseph Fourier - Grenoble 1 (UJF)-Institut National de la Santé et de la Recherche Médicale (INSERM)-CHU Grenoble-Université Joseph Fourier - Grenoble 1 (UJF), Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Institut de Recherche de Chimie Paris (IRCP), Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ministère de la Culture (MC), 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), 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), 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 ) -Université Paul Sabatier - Toulouse 3 ( UPS ) -Centre National de la Recherche Scientifique ( CNRS ) -Institut National des Sciences Appliquées - Toulouse ( INSA Toulouse ), Institut National des Sciences Appliquées ( INSA ) -Institut National des Sciences Appliquées ( INSA ) -Université Paul Sabatier - Toulouse 3 ( UPS ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Chimie Physique Macromoléculaire ( LCPM ), Laboratoire de Chimie de la Matière Condensée de Paris (site Paris VI) ( LCMCP (site Paris VI) ), Université Pierre et Marie Curie - Paris 6 ( UPMC ) -Collège de France ( CdF ) -Ecole Nationale Supérieure de Chimie de Paris- Chimie ParisTech-PSL ( ENSCP ) -Centre National de la Recherche Scientifique ( CNRS ), Grenoble Institut des Neurosciences ( GIN ), Université Joseph Fourier - Grenoble 1 ( UJF ) -CHU Grenoble-Institut National de la Santé et de la Recherche Médicale ( INSERM ) -Université Joseph Fourier - Grenoble 1 ( UJF ) -CHU Grenoble-Institut National de la Santé et de la Recherche Médicale ( INSERM ), Institut Lumière Matière [Villeurbanne] ( ILM ), Université Claude Bernard Lyon 1 ( UCBL ), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique ( CNRS ), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ministère de la Culture (MC), 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), 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)-Institut National Polytechnique (Toulouse) (Toulouse INP), 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), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), Laboratoire de Chimie de la Matière Condensée de Paris (LCMCP), Université Pierre et Marie Curie - Paris 6 (UPMC)-Collège de France (CdF)-Centre National de la Recherche Scientifique (CNRS), Université Joseph Fourier - Grenoble 1 (UJF)-CHU Grenoble-Institut National de la Santé et de la Recherche Médicale (INSERM)-Université Joseph Fourier - Grenoble 1 (UJF)-CHU Grenoble-Institut National de la Santé et de la Recherche Médicale (INSERM), Unité de Catalyse et de Chimie du Solide - UMR 8181 (UCCS), Université d'Artois (UA)-Ecole Centrale de Lille-Ecole Nationale Supérieure de Chimie de Lille (ENSCL)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), 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 (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), and Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)

Subjects
Lanthanide, Materials science, Nanoparticle, chemistry.chemical_element, [SDV.CAN]Life Sciences [q-bio]/Cancer, 02 engineering and technology, Zinc, [CHIM.THER]Chemical Sciences/Medicinal Chemistry, Conjugated system, [CHIM.INOR]Chemical Sciences/Inorganic chemistry, 010402 general chemistry, Photochemistry, 01 natural sciences, 7. Clean energy, Biochemistry, [ SDV.CAN ] Life Sciences [q-bio]/Cancer, chemistry.chemical_compound, [ CHIM.CRIS ] Chemical Sciences/Cristallography, [CHIM.CRIS]Chemical Sciences/Cristallography, [CHIM]Chemical Sciences, Photosensitizer, [CHIM.COOR]Chemical Sciences/Coordination chemistry, Physical and Theoretical Chemistry, ComputingMilieux_MISCELLANEOUS, Singlet oxygen, [ CHIM.COOR ] Chemical Sciences/Coordination chemistry, [ CHIM.INOR ] Chemical Sciences/Inorganic chemistry, [ CHIM.THER ] Chemical Sciences/Medicinal Chemistry, General Medicine, Gadolinium oxysulfide, [CHIM.MATE]Chemical Sciences/Material chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, chemistry, [ CHIM.MATE ] Chemical Sciences/Material chemistry, Diethylenetriamine, 0210 nano-technology
Abstract

We report the design and synthesis of europium-doped gadolinium oxysulfide nanoscintillators Gd2 O2 S:Eu3+ conjugated with two different photosensitizers (PSs): a zinc chlorin (ZnTPC) and a zinc phtalocyanine (ZnPc) by covalent bonding through a layer of N-(3-trimethoxysilylpropyl)diethylenetriamine (TPDA). These conjugates were designed to be activated under X-ray excitation to allow a photodynamic effect, although this desired outcome was not achieved in this study. The monodispersed nanoparticles of ∼70 nm diameter were pegylated to be stabilized in aqueous suspension. It was shown that the PSs conserved their photophysical properties once conjugated to the nanoscintillator and efficient singlet oxygen was obtained upon photo-irradiation. However, no energy transfer was observed from the nanoscintillator to the photosensitizer neither under photo- nor X-ray irradiation.

Published
2017

9. Low- and intermediate-temperature ammonia/hydrogen oxidation in a flow reactor: Experiments and a wide-range kinetic modeling

Author

Alessandro Stagni, Suphaporn Arunthanayothin, Mathilde Dehue, Olivier Herbinet, Frédérique Battin-Leclerc, Pierre Bréquigny, Christine Rousselle, Tiziano Faravelli, Politecnico di Milano [Milan] (POLIMI), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire pluridisciplinaire de recherche en ingénierie des systèmes, mécanique et énergétique (PRISME), Université d'Orléans (UO)-Institut National des Sciences Appliquées - Centre Val de Loire (INSA CVL), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA), and European Project: 723706,IMPROOF

Subjects
History, Polymers and Plastics, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Business and International Management, Industrial and Manufacturing Engineering, Ammonia Hydrogen Flow reactor Nitrogen oxides Detailed kinetics
Abstract

Understanding the chemistry behind the oxidation of ammonia/hydrogen mixtures is crucial for ensuring the flexible use of such mixtures in several applications, related to propulsion systems and power generation. In this work, the oxidation of ammonia/hydrogen blends was investigated through an experimental and kinetic-modeling study, where the low- and intermediate-temperature conditions were considered. An experimental campaign was performed in a flow reactor, at stoichiometric conditions and near-atmospheric pressure (126.7 kPa). The mole fraction of fuels, oxidizer and final products was measured. At the same time, a comprehensive kinetic model was set up, following a modular and hierarchical approach, and implementing the recently-available elementary rates. Such a model was used to interpret the experimental results, and to extend the analysis to literature data, covering several oxidation features. The reactivity boost provided by H2 addition was found to be approximately linear with its mole fraction in both flow- and jet-stirred-reactor conditions (except for the smallest H2 amounts in the flow reactor), in contrast with the more-than-linear increase in the laminar flame speed. The key role of HO2 in regulating fuel conversion and autoignition at low temperature was confirmed for binary mixtures, with H2NO being the bottleneck to the low-temperature oxidation of NH3-rich blends. On the other hand, the nitrogen fate was found to be mostly regulated by NHx + NO propagation and termination channels.

Published
2023

10. Comparative experimental and modeling study of the low- to moderate-temperature oxidation chemistry of 2,5-dimethylfuran, 2-methylfuran, and furan

Author

Frédérique Battin-Leclerc, Zhandong Wang, Hans-Heinrich Carstensen, Christian Hemken, Katharina Kohse-Höinghaus, Luc-Sy Tran, Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 (PC2A), Université de Lille-Centre National de la Recherche Scientifique (CNRS), University of Science and Technology of China [Hefei] (USTC), National Synchrotron Radiation Laboratory (NSRL), Fundación Agencia Aragonesa para la Investigación y el Desarrollo (ARAID), University of Zaragoza - Universidad de Zaragoza [Zaragoza], Universität Bielefeld = Bielefeld University, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Universität Bielefeld, Université de Lille, CNRS, Physicochimie des Processus de Combustion et de l'Atmosphère (PC2A) - UMR 8522, University of Science and Technology of China [Hefei] [USTC], National Synchrotron Radiation Laboratory [NSRL], Fundación Agencia Aragonesa para la Investigación y el Desarrollo [ARAID], and Laboratoire Réactions et Génie des Procédés [LRGP]

Subjects
020209 energy, General Chemical Engineering, 2,5-Dimethylfuran, General Physics and Astronomy, Energy Engineering and Power Technology, 02 engineering and technology, General Chemistry, Furfural, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, chemistry.chemical_compound, [SPI]Engineering Sciences [physics], Fuel Technology, Reaction rate constant, 020401 chemical engineering, chemistry, Computational chemistry, Furan, Methyl vinyl ketone, 0202 electrical engineering, electronic engineering, information engineering, Organic chemistry, 2-Methylfuran, Dimethyl ether, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], 0204 chemical engineering, Electron ionization
Abstract

International audience; The reaction chemistry of furanic fuels, proposed as next-generation bio-derived fuels, has been a target of recent studies. However, quantitative intermediate species profiles at low- to moderate-temperature (LMT) conditions remain scarce. The present paper reports the first systematic full speciation dataset in the temperature range 730–1170 K for three furanic fuels, 2,5-dimethylfuran (DMF), 2-methylfuran (MF), and furan, measured for different equivalence ratios under near-identical LMT conditions in a flow reactor at 1 bar. More than 35 species including reactants, intermediate species, and products were analyzed using electron ionization (EI) molecular-beam mass spectrometry (MBMS). These experimental results provided motivation to extend a previous single joint mechanism for the three furanic fuels, developed for the high-temperature regime in low-pressure premixed flames, to include the LMT oxidation chemistry. A decisive difference of the present mechanism versus all previously reported models is a more complete description of fuel radical reactions for LMT oxidation, obtained from theoretical calculations of thermodynamic properties and rate constants.The experimentally observed differences in fuel conversion behavior and species distribution between the three fuels have been compared to model predictions using the newly extended mechanism. The dependence of fuel conversion on equivalence ratio decreases significantly from DMF to furan, a behavior consistent with the different number of lateral methyl groups in the fuel structure. All three furanic fuels, especially DMF, produce several highly toxic oxygenated species including acrolein, methyl vinyl ketone, furfural, and phenol. These toxic species were found to be products of the primary reactions of these fuels, and these undesirable trends could be explained satisfactorily by the present model, pointing to some caution with regard to the potential emission spectra under LMT conditions.

Published
2017

11. Metal trace elements and sodium chloride transfer dynamics in road retention basins

Author

barbier, lucie, Suaire, Rémi, Bechet, Beatrice, Durickovic, Ivana, Simonnot, Marie-Odile, Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est ( Cerema Direction Est ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement ( Cerema ), Département Géotechnique, Environnement, Risques naturels et Sciences de la terre ( IFSTTAR/GERS ), Institut Français des Sciences et Technologies des Transports, de l'Aménagement et des Réseaux ( IFSTTAR ) -Université de Lyon-PRES Université Nantes Angers Le Mans ( UNAM ) -PRES Université Paris-Est-PRES Université de Grenoble, Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Equipe-projet TEAM (Cerema Equipe-projet TEAM), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement (Cerema), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est (Cerema Direction Est), Département Géotechnique, Environnement, Risques naturels et Sciences de la terre (IFSTTAR/GERS), Institut Français des Sciences et Technologies des Transports, de l'Aménagement et des Réseaux (IFSTTAR)-Université de Lyon-PRES Université Nantes Angers Le Mans (UNAM)-PRES Université Paris-Est-PRES Université de Grenoble, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and Durickovic, Ivana

Subjects
[CHIM.ANAL] Chemical Sciences/Analytical chemistry, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, [ CHIM.ANAL ] Chemical Sciences/Analytical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2017

12. Effet de nanoparticules de noir de carbone sur la sévérité d'explosions de mélanges des gaz

Author

Torrado, David, STAR, ABES, Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Université de Lorraine, Olivier Dufaud, Pierre-Alexandre Glaude, Laboratoire Réactions et Génie des Procédés (LRGP), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Soot formation, [SPI.GPROC] Engineering Sciences [physics]/Chemical and Process Engineering, [PHYS.MECA.THER] Physics [physics]/Mechanics [physics]/Thermics [physics.class-ph], Mélanges hybrides, Nanoparticules, Particules des suies, [ SPI.GPROC ] Engineering Sciences [physics]/Chemical and Process Engineering, Hybrid mixtures, Dust explosions, [ PHYS.MECA.THER ] Physics [physics]/Mechanics [physics]/Thermics [physics.class-ph], [PHYS.MECA.THER]Physics [physics]/Mechanics [physics]/Thermics [physics.class-ph], Nanoparticles, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Explosion de poussières
Abstract

Flammable gas/solid hybrid mixture explosions are not well understood because of the interaction of the thermal transfer process, the combustion kinetics mechanisms and the interactions between turbulence and combustion. The main objective on this work is to study the explosion severity and flame burning velocities of carbon black nanoparticles/methane to better understand the influence of added nanopowders in gas explosions. Tests have been performed in a flame propagation tube and in the standard 20 L explosion sphere. The influence of carbon black particles on the explosions severity and in the front flame propagation has been appreciated by comparing the results obtained for pure gas mixtures. It appeared that the carbon black nanoparticles insertion increases around 10% the explosion severity for lean methane mixtures. Therefore, it seems that nanoparticles has an impact on the severity of the explosion even for quiescent systems, contrary to systems involving micro-sized powders that requires a dispersion at high turbulence levels. The increment on the maximum rate of pressure rise is higher for powders with lower elementary particle diameter, which is notably due to the fragmentation phenomena. A flame propagation numerical model associated to a gas/carbon black mixture has been developed to examine the influence of carbon blacks on the flame propagation. The results of the numerical model suggest that the radiative heat contribution promotes the flame acceleration. This result is consistent with the experimental increase on the explosion severity for some hybrid mixtures, Les explosions de mélanges de gaz inflammables/solides combustibles ne sont pas bien comprises en raison de la complexité des transferts thermiques, des mécanismes de cinétiques et des interactions entre la turbulence /combustion. L'objectif principal de ce travail est d'étudier la sévérité des explosions des nanoparticules de carbone noir/méthane afin de comprendre l'influence de l'insertion des nanoparticules sur les explosions de gaz. Des tests ont été effectués sur ces mélanges dans un tube de propagation de la flamme et dans une sphère d'explosion standard de 20 L. L'influence de la turbulence initiale et de la taille de particule élémentaire du noir de carbone a également été étudiée. Il semble que l'insertion de nanoparticules de noir de carbone augmente d'environ 10% la sévérité de l’explosion pour les mélanges pauvres en méthane. Par conséquent, il semble que les nanoparticules ont un impact sur la sévérité de l'explosion même pour les systèmes à basse turbulence, contrairement aux systèmes impliquant des poudres de taille micrométrique qui nécessitent une dispersion à des niveaux élevés de turbulence. L'augmentation de la vitesse maximale de montée en pression est plus élevée pour des poudres avec un petit diamètre de particule, notamment en raison des phénomènes de fragmentation. En outre, un modèle numérique de propagation de front de flamme associé à un mélange gaz/noir de carbone a été développé pour examiner l'influence du noir de carbone sur la propagation de la flamme. Les résultats du modèle numérique suggèrent que la contribution de la chaleur radiative favorise l'accélération de la flamme. Ces résultats sont en accord avec les résultats expérimentaux de sévérité de l'explosion pour certains mélanges hybrides

Published
2017

13. Phytoextraction of Na + and Cl − by Atriplex halimus L. and Atriplex hortensis L.: A promising solution for remediation of road runoff contaminated with deicing salts

Author

Rémi Suaire, Marie-Odile Simonnot, Jean-Yves Leblain, Lucie Framont-Terrasse, Ivana Durickovic, Anne-Claire De Rouck, Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est ( Cerema Direction Est ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement ( Cerema ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Nord-Picardie ( Cerema Direction Nord-Picardie ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est (Cerema Direction Est), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement (Cerema), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Equipe-projet TEAM (Cerema Equipe-projet TEAM), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Nord-Picardie (Cerema Direction Nord-Picardie), Laboratoire Réactions et Génie des Procédés (LRGP), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

Subjects
0106 biological sciences, Environmental Engineering, Atriplex, [SDE.MCG]Environmental Sciences/Global Changes, 010501 environmental sciences, Management, Monitoring, Policy and Law, 01 natural sciences, [ SDE.IE ] Environmental Sciences/Environmental Engineering, [ SDV.EE ] Life Sciences [q-bio]/Ecology, environment, [SDV.EE.ECO]Life Sciences [q-bio]/Ecology, environment/Ecosystems, Atriplex halimus, Halophyte, ComputingMilieux_MISCELLANEOUS, 0105 earth and related environmental sciences, Nature and Landscape Conservation, [SDV.EE]Life Sciences [q-bio]/Ecology, environment, biology, [SDE.IE]Environmental Sciences/Environmental Engineering, biology.organism_classification, 6. Clean water, [ SDV.EE.ECO ] Life Sciences [q-bio]/Ecology, environment/Ecosystems, Salinity, Phytoremediation, Horticulture, [ SDE.MCG ] Environmental Sciences/Global Changes, Agronomy, Germination, Atriplex hortensis, Bioaccumulation, 010606 plant biology & botany
Abstract

Two halophytes, Atriplex halimus and Atriplex hortensis , were selected to be tested for phytodesalination of road runoff. A 60 d pot experiment was conducted and germination, survival, growth, and bioaccumulation of NaCl and trace metals by both species were monitored in conditions simulating those encountered in road runoff treatment systems. NaCl concentration was controlled in the hydration solution and ranged from 0 to 2 g/L. Germination and survival of young seedlings were not affected by salinity increase in the tested range. Growth was enhanced by NaCl in the hydration solution for A. halimus whereas water content (WC) was significantly and negatively correlated with NaCl concentration. No significant effect of NaCl concentration in the hydration solution was recorded on either growth or WC for A. hortensis . Both Atriplex species accumulated Na + and other cations. Results for Na/K molar ratio indicated that A. halimus was not affected as much as A. hortensis in its homeostasis and nutritional capacities. These results show that both Atriplex species are able to germinate, grow and accumulate sodium when watered with hydration solutions polluted with NaCl. They are therefore good candidates for phytodesalination of road runoff polluted by deicing salts, and should be tested at the pilot scale.

Published
2016

14. Optimal design and operation of activated sludge processes: State-of-the-art

Author

Mohamed Abderrazak Latifi, Nicolas Roche, Rainier Hreiz, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Mécanique, Modélisation et Procédés Propres (M2P2), Aix Marseille Université (AMU)-École Centrale de Marseille (ECM)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Service de Pneumologie, Groupe Hospitalier Cochin Broca Hotel Dieu, APHP et Université René Descartes, and Centre National de la Recherche Scientifique (CNRS)-École Centrale de Marseille (ECM)-Aix Marseille Université (AMU)

Subjects
Optimal design, Engineering, Optimization problem, Process (engineering), General Chemical Engineering, 0207 environmental engineering, Context (language use), 02 engineering and technology, Wastewater treatment, 010501 environmental sciences, 01 natural sciences, [ CHIM ] Chemical Sciences, Industrial and Manufacturing Engineering, [CHIM.GENI]Chemical Sciences/Chemical engineering, Multi-objective optimisation, Environmental Chemistry, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 020701 environmental engineering, 0105 earth and related environmental sciences, Statement (computer science), Structure (mathematical logic), [SDE.IE]Environmental Sciences/Environmental Engineering, business.industry, Management science, Modeling, General Chemistry, Optimal control, Industrial engineering, Pareto front, 6. Clean water, Multi-objective optimization, Dynamic optimization, Activated sludge, State (computer science), business
Abstract

International audience; The activated sludge process (ASP) is the most commonly used process for wastewater treatment. Improving its performance is necessary from economic and environmental point of views. In this context, dynamic optimization is a powerful tool for assisting engineers in determining optimal operations and designs for ASPs. However, the real optimality of the solution strongly depends on the optimization problem statement, for which unfortunately, there is no standard or commonly accepted formulation. In a hopeful attempt to provide a guideline for future works on the topic, this paper reviews the literature devoted to optimal control and design of ASPs. The main issues to be addressed in order to get reliable solutions are discussed , among which: (1) Managing the inevitable mismatch between the model predictions and the real ASP operation. (2) Dealing with the unpredictable variations in the wastewater characteristics. (3) Accounting for the slowest dynamic processes occurring in ASPs. (4) Appropriately selecting the decision variables and the flowsheet structure in order to simplify the problem formulation from a mathematical perspective. (5) Conveniently choosing the cost functions expressions/correlations. (6) Successfully selecting the mathematical constraints in order to guarantee physically relevant operations.

Published
2015

15. Self-similar pinch-off mechanism and scaling of ferrofluid drops

Author

Xiao F. Jiang, Huai Z. Li, Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Réactions et Génie des Procédés (LRGP), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Physics, Ferrofluid, Range (particle radiation), Nozzle, Mechanics, [ CHIM ] Chemical Sciences, Magnetic field, Volumetric flow rate, [SPI.MECA.MEFL]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Fluids mechanics [physics.class-ph], Physics::Fluid Dynamics, Pinch, Exponent, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Scaling, ComputingMilieux_MISCELLANEOUS
Abstract

International audience; The pinch off of heterogeneous ferrofluid drops at a nozzle in air was experimentally investigated with a magnetic field (downward or upward) and without a magnetic field. Compared to homogeneous drops, the self-similarity and universal scaling law were verified through modifying the initial conditions, such as the nozzle diameter, flow rate, and magnitude and direction of the magnetic fields. Two pinch-off points were observed, and the two consecutive pinch-off dynamics were characterized through scaling laws. Here our scaling exponent remains within the scope of (0.70-0.80) for the primary whereas it remains within the scope of (0.60-0.70) for the secondary pinch off, respectively, comparable to the classic range from 2/3 to 1 for homogeneous drops. The gravity-compensating and gravity-superimposing magnetic fields display a negligible effect on the exponent but determine the sequence of double pinch offs. The universal character of the self-similar pinch off is extended to a heterogeneous fluid.

Published
2015

16. Multi-objective optimal control of small-size wastewater treatment plants

Author

Nicolas Roche, Brahim Benyahia, Mohamed Abderrazak Latifi, Rainier Hreiz, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Mécanique, Modélisation et Procédés Propres (M2P2), Aix Marseille Université (AMU)-École Centrale de Marseille (ECM)-Centre National de la Recherche Scientifique (CNRS), Institut Universitaire de Technologie - Aix-Marseille (IUT AMU), Aix Marseille Université (AMU), Loughborough University, Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Mécanique, Modélisation et Procédés Propres ( M2P2 ), Aix Marseille Université ( AMU ) -Ecole Centrale de Marseille ( ECM ) -Centre National de la Recherche Scientifique ( CNRS ), and Centre National de la Recherche Scientifique (CNRS)-École Centrale de Marseille (ECM)-Aix Marseille Université (AMU)

Subjects
Suspended solids, Engineering, Waste management, business.industry, [SDE.IE]Environmental Sciences/Environmental Engineering, General Chemical Engineering, General Chemistry, Sludge incineration, Optimal control, Multi-objective optimization, [ CHIM ] Chemical Sciences, 6. Clean water, Incineration, Electricity generation, Activated sludge, [CHIM.GENI]Chemical Sciences/Chemical engineering, Sewage treatment, business, Process engineering
Abstract

International audience; In this work, a multi-objective dynamic optimization of the operating strategy of a small-size wastewater treatment plant is carried out. In-situ incineration of the excess sludge produced for electricity production is investigated in order to reduce the operating costs. The trade-offs between the treatment quality and the operating costs are characterized. Compared to the literature, emphasis is put on a more rigorous formulation of the problem and an accurate modeling of the underlying phenomena so as to get physically relevant solutions. Thus, from a mathematical perspective, the problem is formulated so that the solution is less sensitive to the - arbitrarily chosen-plant initial conditions. Modeling of physical phenomena e.g. the detrimental effect of the concentration of suspended solids in the mixed liquor, on oxygen transfer rate, has been included in the model. Several constraints are added to the problem so as to maintain the optimal solutions within the limits of validity of the mathematical model. The results provided a clear picture about the trade-offs between the treatment quality and the exploitation costs. Sludge incineration was shown to be of a high energetic profit, but it does not allow the plant to be electrically autonomous.

Published
2015

17. Hydrophobic MOFs for the efficient capture of highly polar volatile organic compound

Author

Maria Inês Severino, Abeer Al Mohtar, Carla Vieira Soares, Oleksii Kolmykov, Cátia Freitas, Iurii Dovgaliuk, Charlotte Martineau, Vanessa Pimenta, Farid Nouar, Guillaume Maurin, Moisés L. Pinto, Christian Serre, Institut des Matériaux Poreux de Paris (IMAP ), Département de Chimie - ENS Paris, École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Ecole Superieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris), Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Universidade de Lisboa = University of Lisbon (ULISBOA), Laboratoire de Nanotechnologie et d'Instrumentation Optique (LNIO), Institut Charles Delaunay (ICD), Université de Technologie de Troyes (UTT)-Centre National de la Recherche Scientifique (CNRS)-Université de Technologie de Troyes (UTT)-Centre National de la Recherche Scientifique (CNRS), Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM), Université de Montpellier (UM), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Institut Lavoisier de Versailles (ILV), and Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Renewable Energy, Sustainability and the Environment, [CHIM]Chemical Sciences, General Materials Science, General Chemistry
Abstract

Effective capture of polar volatile organic compounds under environmental conditions is a challenge owing to the adsorption competition between polar volatile organic compounds and water.

Published
2023

18. An Experimental and Detailed Kinetic Modeling of the Thermal Oxidation Stability of n-decane as a Jet Fuel Surrogate Component

Author

M.D. Le, Z. El Sayah, R. Benrabah, V. Warth, P.-A. Glaude, R. Privat, R. Fournet, B. Sirjean, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), ANR-18-CE05-0002,BioACe,Impact des biocarburants sur le vieillissement des carburants conventionnels(2018), and European Project: 101003318,BioSCOPE

Subjects
[SPI]Engineering Sciences [physics], Fuel Technology, General Chemical Engineering, Organic Chemistry, Energy Engineering and Power Technology
Abstract

International audience; Thermal oxidation stability of liquid jet fuels remains a significant scientific challenge in the development of modern aviation. This study aims at experimentally and numerically investigating the autoxidation of n-decane, which is used as a component of jet fuel surrogates in the literature. Induction periods (IP) of n-decane were measured in a PetroOxy device under 7 bar of oxygen and cell temperatures varying from 403 to 418 K. IPs give a quantitative measure of the oxidation stability of a fuel. In addition to IPs measurements, the total hydroperoxides content at the end of the IP test was quantified using two iodometric titration methods: colorimetry and potentiometry. In order to simulate the oxidation of the homogeneous liquid phase as a batch reactor, we developed a physical model based on the so-called gamma-phi thermodynamic approach to calculate the compositions of liquid- and gas-phases at the set temperatures and pressures. Based on a state-of-the-art method to capture solvent effects, a detailed kinetic model for the n-decane autoxidation was developed. The simulations are consistent with experimental data from this study (IP and hydroperoxides concentration profiles) and from the literature. The proposed model is validated to simulate the thermal oxidation stability of liquid n-decane, for conversions up to 15 %. Kinetic analyzes highlight the central role played by hydroperoxides decomposition and the self-termination of peroxy decyl (ROO·) radicals in the autoxidation of n-decane.

Published
2023

19. Prediction of solvation energies at infinite dilution by the tc-PR cubic equation of state with advanced mixing rule based on COSMO-RS as gE model

Author

Paes, Francisco Carlos, Privat, Romain, Jaubert, Jean-Noël, Sirjean, Baptiste, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and European Project: 101003318,BioSCOPE

Subjects
[CHIM.GENI]Chemical Sciences/Chemical engineering, prediction, solvation, COSMO theory, equation of state
Abstract

International audience; The prediction of solvation quantities is an important issue in several fields of chemical and process engineering. In this regard, this work was conducted to increase the prediction power of the equation-of-state (EoS) approach by coupling the tc-PR (translated-consistent Peng-Robinson) EoS with COSMO-RS (Conductor-like Screening Model for Real Solvents) as gE model through an advanced mixing rule. Since the only input parameter of the COSMO-RS model is the charge density (σ) profile of each molecule, the resulting EoS (called tc-PR/COSMO-RS) does not require any binary interaction parameter contrary to other predictive cubic EoS, such as VTPR, PPR78, PSRK, and UMR-PRU. This feature allows the quantification of solvation data of a great number of systems from readily available pure-component properties (critical temperature and pressure, acentric factor and σ -profile). Satisfactory results were obtained for the prediction of solvation Gibbs energy data that were extracted from the extensive CompSol database (the average absolute deviation is 0.30 kcal/mol). The proposed model represents a very flexible alternative for the prediction of solvation data, since it can deal with a large variety of solutes in either a pure or mixed solvent, and for the entire phase diagram (including the supercritical region).

Published
2023

20. Effects of rising biogas bubbles on the hydrodynamic shear conditions around anaerobic granule

Author

Souhila Poncin, Jing Wu, Jinbai Zhang, Huai-Zhi Li, Zohaib Ur Rehman, Jiankai Jiang, Tsinghua University [Beijing], Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), State Key Joint Lab Environm Simulat & Pollut Con, Tsinghua University [Beijing] (THU), Laboratoire Réactions et Génie des Procédés ( LRGP ), and Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS )

Subjects
education.field_of_study, Materials science, [SDE.IE]Environmental Sciences/Environmental Engineering, General Chemical Engineering, Bubble, Granule (cell biology), Population, Relative velocity, General Chemistry, Mechanics, [ CHIM ] Chemical Sciences, 7. Clean energy, 6. Clean water, Industrial and Manufacturing Engineering, Shear rate, Biogas, Particle image velocimetry, Environmental Chemistry, Geotechnical engineering, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, education, Anaerobic exercise
Abstract

International audience; Anaerobic reactor is one of gas-liquid-solid three-phase bio-reactors and has attracted high attentions worldwide due to biogas, a renewable energy. As is well-known, hydrodynamic conditions play crucial roles in the performance of the three-phase reactors. But the knowledge about the hydrodynamic conditions around sludge (microbial aggregates) is limited. The hydrodynamic shear force exerted on sludge derives from the liquid flow and rising biogas bubbles nearby. The in situ investigation in a two-dimensional micro anaerobic reactor shows that 56.8-96.6% shear rate exerted on one piece of granular sludge (major axis of 2 mm and minor axis of 1.5 mm) in typical motions stems from the rising bubbles when biogas production rate is greater than 0.1 m(3) kgVSS(-1) d(-1), and the superficial liquid velocity of reactor was fixed at 6.48 mh(-1) in this study. Furthermore it linearly correlates with specific bubble population with R-2 of superior to 0.95. The specific bubble population plays more important roles in the shear rate on granules than the bubble diameter. Liquid flow is also important for the shear rate exerted on moving sludge in term of the relative velocity between sludge and liquid flow rather than the superficial liquid velocity. Thus the shear rate derived from liquid flow would be significantly lower than that part originated from bubbles. A high-speed digital camera and a particle image velocimetry (PIV) system were used to in situ quantify the bubbles and their behavior in reactor. This study could facilitate understanding and improving the hydrodynamic conditions in three-phase bio-reactors.

Published
2015

21. Use of selected halophytes for phytodesalination of road runoff polluted by deicing salts

Author

Suaire , Rémi, Simonnot , Marie-Odile, Durickovic , Ivana, Framont-Terrasse , Lucie, Leblain , Jean-Yves, De Rouck , Anne-Claire, Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est ( Cerema Direction Est ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement ( Cerema ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Nord-Picardie ( Cerema Direction Nord-Picardie ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est (Cerema Direction Est), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement (Cerema), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Equipe-projet TEAM (Cerema Equipe-projet TEAM), and Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Nord-Picardie (Cerema Direction Nord-Picardie)

Subjects
[SDV.EE]Life Sciences [q-bio]/Ecology, environment, [SDE.IE]Environmental Sciences/Environmental Engineering, ComputingMilieux_MISCELLANEOUS, [ SDE.IE ] Environmental Sciences/Environmental Engineering, [ SDV.EE ] Life Sciences [q-bio]/Ecology, environment
Abstract

International audience

Published
2015

22. Experimental and Modeling Investigation of the Low-Temperature Oxidation of Dimethyl Ether

Author

Frédérique Battin-Leclerc, Roda Bounaceur, Christa Fittschen, Anne Rodriguez, Olivier Herbinet, René Fournet, Ophélie Frottier, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 (PC2A), Université de Lille-Centre National de la Recherche Scientifique (CNRS), European Project: 227669,EC:FP7:ERC,ERC-2008-AdG,CLEAN-ICE(2008), Université de Lille, CNRS, Laboratoire Réactions et Génie des Procédés [LRGP], and Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 [PC2A]

Subjects
Methyl Ethers, Models, Anatomic, Chromatography, Gas, oxidation, quantum calculation, Analytical chemistry, chemistry.chemical_element, Alkenes, cw-CRDS, Mole fraction, Helium, 7. Clean energy, Oxygen, Redox, dimethylether, jet-stirred reactor, modeling, chemistry.chemical_compound, Propane, Formaldehyde, Pressure, Computer Simulation, Dimethyl ether, Physical and Theoretical Chemistry, Chemical decomposition, Atmospheric pressure, Spectrum Analysis, Temperature, Water, Hydrogen Peroxide, Dilution, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Kinetics, chemistry, 13. Climate action, Quantum Theory, Oxidation-Reduction, Hydrogen
Abstract

The oxidation of dimethylether (DME) was studied using a jet-stirred reactor over a wide range of conditions: temperatures from 500 to 1100 K, equivalence ratios of 0.25, 1 and 2, residence time of 2 s, pressure of 106.7 kPa (close to the atmospheric pressure) and an inlet fuel mole fraction of 0.02 (with high dilution in helium). Reaction products were quantified using two analysis methods: gas chromatography and continuous wave cavity ring down spectroscopy (cw-CRDS). cw-CRDS enabled the quantification of formaldehyde which is one of the major product from DME oxidation as well as that of hydrogen peroxide which is an important branching agent in low-temperature oxidation chemistry. Experimental data were compared with data computed using models from the literature with important deviations being observed for the reactivity at low-temperature. A new detailed kinetic model for the oxidation of DME was developed in this study. Kinetic parameters used in this model were taken from literature or calculated in the present work using quantum calculations. This new model enables a better prediction of the reactivity in the low-temperature region. Under the present JSR conditions, error bar on predictions were given. Simulations were also successfully compared with experimental flow reactor, jet-stirred reactor, shock tube, rapid compression machine and flame data from literature. The kinetic analysis of the model enabled to highlight some specificities of the oxidation chemistry of DME: 1) the early reactivity which is observed at very low-temperature (e.g., compared to propane) is explained by the absence of inhibiting reaction of the radical directly obtained from the fuel (by H-atom abstraction) with oxygen yielding an olefin + HO2●; 2) the low-temperature reactivity is driven by the relative importance of the second addition to O2 (promoting the reactivity through branching chain) and the competitive decomposition reactions with an inhibiting effect. 119

Published
2015

23. Hydrodynamic characterization of a new small-scale reactor mixed by a magnetic bar

Author

Stéphane Guyot, Eric Olmos, Rémy Cachon, Patrick Gervais, Charline Allonneau, Eric Ferret, Procédés Alimentaires et Microbiologiques (PAM), Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement, Laboratoire Réactions et Génie des Procédés (LRGP), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL), Procédés Alimentaires et Microbiologiques ( PAM ), Université de Bourgogne ( UB ) -AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement, Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

Subjects
0106 biological sciences, Engineering, Environmental Engineering, Biomedical Engineering, Environment controlled, Bioengineering, 02 engineering and technology, Computational fluid dynamics, 01 natural sciences, 7. Clean energy, Homogenization (chemistry), [ CHIM ] Chemical Sciences, 010608 biotechnology, Homogeneity (physics), [CHIM]Chemical Sciences, Plug flow reactor model, Simulation, Turbulence, business.industry, Laminar flow, Mechanics, 021001 nanoscience & nanotechnology, System dynamics, 0210 nano-technology, business, Biotechnology
Abstract

International audience; The purpose of this study was to evaluate the mixing characteristics of a new milliliter-scale (mL-scale) reactor developed for studying enzymatic activity or physiological cell response. The mL-scale reactor was designed to enable the integration of several sensors to carry out dynamic measurements in a controlled environment. Rapid homogeneity of the entire system is essential to ensure reproducible and reliable results, consequently the reactor was stirred to optimize both mass and heat transfers. A comparative study using three different techniques was undertaken to study mixing performances in the system. Firstly, mixing time (4,) was estimated in the reactor using both experimental methods, including instrumental method and image analysis, and CFD. As hydrodynamics is not occurring in the fully-turbulent regime, turbulent numerical simulations using the SST transitional and the standard k-epsilon turbulence models were conducted and compared to laminar approach. Results showed good agreement between the two experimental methods and no significant differences were observed between the simulation methods. Moreover, according to results, a minimum agitation rate of 350 rpm seemed to be appropriated to obtain a quick homogenization in the system. Finally, the second part of the study seemed to indicate that probes had no significant impact in the studied reactor.

Published
2015

24. Dry Purification by Natural Adsorbents of Ethyl Biodiesels Derived from Nonedible Oils

Author

Yvonne L. Bonzi-Coulibaly, Roger H. C. Nébié, Svitlana Nitièma-Yefanova, Lucie Coniglio, Brice Bouyssiere, Romain Richard, Kevin Mozet, Sophie Thiebaud-Roux, Université Joseph Ki-Zerbo [Ouagadougou] (UJZK), Chimie Agro-Industrielle (CAI), Institut National Polytechnique (Toulouse) (Toulouse INP), 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), Laboratoire de Chimie Analytique Bio-Inorganique et Environnement (LCABIE), Université de Pau et des Pays de l'Adour (UPPA)-Centre National de la Recherche Scientifique (CNRS), Institut de Recherche en Sciences Appliquées et Technologies, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Fonds National pour l'Education et la Recherche (FONER) from Burkina Faso, Université de Ouagadougou, Laboratoire de Chimie Agro-Industrielle (LCA), Institut National de la Recherche Agronomique (INRA)-Ecole Nationale Supérieure de Chimie de Toulouse, 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 de Pau et des Pays de l'Adour - UPPA (FRANCE), Université de Lorraine (FRANCE), Laboratoire de Chimie Agro-Industrielle - LCA (Toulouse, France), Laboratoire Réactions et Génie des Procédés - LRGP (Nancy, france), and Institut National Polytechnique de Toulouse - INPT (FRANCE)

Subjects
corn husk ash, General Chemical Engineering, Energy Engineering and Power Technology, Dry purification, Ethyl biodiesel, Husk, law.invention, Homogeneous alkali-or acid catalysis, Glycerides, Adsorption, [CHIM.GENI]Chemical Sciences/Chemical engineering, law, medicine, Flame ionization detector, Génie chimique, Natural adsorbent, Chromatography, Chemistry, Extraction (chemistry), Rice husk ash, Transesterification, 6. Clean water, Fuel Technology, Gas chromatography, Activated carbon, medicine.drug, Karl Fischer titration
Abstract

International audience; The purpose of this work is to analyze the efficiency of natural adsorbents (rice husk ash (RHA) versus corn husk ash (CHA)) for the dry purification of ethyl biodiesels obtained by transesterification via homogeneous catalysis of nonedible oils (Balagnites aegyptiaca, Azadirachta indica, and Jatropha curcas). The characterization of RHA and CHA was achieved by N2 adsorption/Brunauer–Emmett–Teller analysis and by scanning electron spectroscopy with microanalysis by energy dispersive X-ray spectroscopy. The quality of the three biodiesels, before and after dry treatment on adsorbent, was evaluated by various analytical methods (1H nuclear magnetic resonance, gas chromatography with a flame ionization detector, Karl Fischer titration, and inductively coupled plasma–atomic emission spectroscopy). Several operating conditions (presence of activated carbon in the ashes, temperature, contact time, and number of treatment cycles) were tested in order to define the best procedure. RHA combined with the selected procedure showed very satisfactory results for removal of impurities from the produced biodiesels (residual glycerides, free glycerin, water, catalyst, and metals introduced during the oil extraction) and thus may be an alternative to the conventional wet purification process (acidic water washing).

Published
2015

25. Active control of ferrofluid droplet breakup dynamics in a microfluidic T-junction

Author

Taotao Fu, Youguang Ma, Yining Wu, Huai-Zhi Li, State Key Lab Chem Engn, Sch Chem Engn & Technol, Tianjin, Tianjin University, Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and Tianjin University (TJU)

Subjects
Work (thermodynamics), Ferrofluid, Materials science, media_common.quotation_subject, Microfluidics, Nuclear Theory, 02 engineering and technology, 01 natural sciences, Asymmetry, [ CHIM ] Chemical Sciences, 010305 fluids & plasmas, [SPI.MECA.MEFL]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Fluids mechanics [physics.class-ph], Physics::Fluid Dynamics, 0103 physical sciences, Materials Chemistry, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Nuclear Experiment, media_common, Multiphase flow, Mechanics, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Breakup, Electronic, Optical and Magnetic Materials, Magnetic field, Volumetric flow rate, Classical mechanics, 0210 nano-technology
Abstract

International audience; This work aims at investigating the breakup dynamics of the ferrofluid droplet under magnetic fields in a microfluidic T-junction. The whole breakup processes of the ferrofluid droplets under uniform magnetic field and non-uniform magnetic field were exhaustively considered. The influence of both the flow rates and magnetic flux density on the formation and breakup were extensively studied. It was found that the type of breakup process can be changed and the breakup frequency of ferrofluid droplets can be actively modulated by applying a uniform magnetic field. While under non-uniform magnetic field, the asymmetric breakup of ferrofluid droplets can be realized. Both the magnetic field intensity and hydrodynamic force affect the asymmetry of the breakup process. The non-uniform magnetic field can exert attraction on ferrofluid droplets in a dissymmetrical way to avoid breakup.

Published
2015

26. LORVER project: production chain of biomass for industrial purposes from former sites and materials

Author

Simonnot, Marie-Odile, Guimont, Sophie, Auclerc, Apolline, Baldo, Rémi, Béguiristain, Thierry, Berthelot, Charlotte, Blaudez, Damien, Brosse, Nicolas, Chalot, Michel, Depre, Emmanuelle, Didier, Laurent, Echevarria, Guillaume, Faure, Pierre, Gérard, Antoine, Gossiaux, lucas, Guéniot, Hélène, Jeanmichel, Laurence, Henry, Hugues, KANSO, Ali, Lacercat, Laurence, Leyval, Corinne, Louchez, Guillaume, Maione, Ricardo, Malacarne, Mélanie, Masfaraud, Jean-Francois, Mauviel, Guillain, Mercier, Fabien, Morel, Jean-Louis, Pons, Marie-Noëlle, RAOULT, Noële, Rees, Frédéric, Rodrigues, Jérémy, Rue, Marie, Schwartz, Christophe, Séré, Geoffroy, Sirguey, Catherine, Sterckeman, Thibault, Van der Bogaert, Luc, Wild, Gabriel, Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Valterra Depollution et Rehabilitation, Laboratoire Sols et Environnement ( LSE ), Institut National de la Recherche Agronomique ( INRA ) -Université de Lorraine ( UL ), Groupement d'Intérêt Scientifique sur les Friches Industrielles ( GISFI ), Laboratoire Interdisciplinaire des Environnements Continentaux ( LIEC ), Laboratoire d'Etude et de Recherche sur le Matériau Bois ( LERMAB ), Université de Lorraine ( UL ), Laboratoire Chrono-environnement ( LCE ), Université Bourgogne Franche-Comté ( UBFC ) -Centre National de la Recherche Scientifique ( CNRS ) -Université de Franche-Comté ( UFC ), Indépendant, Progepi, ProdInra, Archive Ouverte, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), VALTERRA Dépollution & Réhabilitation, Laboratoire Sols et Environnement (LSE), Institut National de la Recherche Agronomique (INRA)-Université de Lorraine (UL), Groupement d'Intérêt Scientifique sur les Friches Industrielles (GISFI), Laboratoire Interdisciplinaire des Environnements Continentaux (LIEC), Institut Ecologie et Environnement (INEE), Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Terre et Environnement de Lorraine (OTELo), Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Etude et de Recherche sur le Matériau Bois (LERMAB), Université de Lorraine (UL), Laboratoire Chrono-environnement - CNRS - UBFC (UMR 6249) (LCE), Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC), Chercheur indépendant, Laboratoire Chrono-environnement - UFC (UMR 6249) (LCE), and Université Bourgogne Franche-Comté [COMUE] (UBFC)-Centre National de la Recherche Scientifique (CNRS)-Université de Franche-Comté (UFC)

Subjects
[SDV] Life Sciences [q-bio], [ SDV ] Life Sciences [q-bio], [SDV]Life Sciences [q-bio]
Abstract

LORVER project: production chain of biomass for industrial purposes from former sites and materials. . Contaminated Site Management in Europe (CSME) & Sustainable Approaches to Remediation of Contaminated Land in Europe (SARCLE)

Published
2014

27. Use of halophytes for phytoremediation of road runoff contaminated by deicing salts

Author

Suaire , Rémi, Durickovic , Ivana, Simonnot , Marie-Odile, Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est (Cerema Direction Est), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement (Cerema), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Equipe-projet TEAM (Cerema Equipe-projet TEAM), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est ( Cerema Direction Est ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement ( Cerema ), Laboratoire Réactions et Génie des Procédés ( LRGP ), and Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS )

Subjects
[SDE.IE]Environmental Sciences/Environmental Engineering, [ SDE.IE ] Environmental Sciences/Environmental Engineering, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2014

28. Folate-based radiotracers for nuclear imaging and radionuclide therapy

Author

Laurène Wagner, Bibigul Kenzhebayeva, Batoul Dhaini, Samir Boukhlef, Albert Moussaron, Serge Mordon, Céline Frochot, Charlotte Collet, Samir Acherar, Laboratoire de Chimie Physique Macromoléculaire (LCPM), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Nancyclotep- Experimental Imaging Platform = Plate-forme d'imagerie moléculaire, Centre Hospitalier Régional Universitaire de Nancy (CHRU Nancy)-Université de Lorraine (UL), Satbayev University, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Lebanese University [Beirut] (LU), Thérapies Laser Assistées par l'Image pour l'Oncologie - U 1189 (ONCO-THAI), Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Lille-Centre Hospitalier Régional Universitaire [Lille] (CHRU Lille), CHU Lille, Imagerie Adaptative Diagnostique et Interventionnelle (IADI), Institut National de la Santé et de la Recherche Médicale (INSERM)-Université de Lorraine (UL), and Arnoux, Philippe

Subjects
Inorganic Chemistry, Folic acid, Theranostic, Ovarian cancer, [CHIM.RADIO] Chemical Sciences/Radiochemistry, Materials Chemistry, Radiopharmaceutical, Targeted radionuclide therapy, Physical and Theoretical Chemistry, Nuclear imaging, [CHIM.RADIO]Chemical Sciences/Radiochemistry
Abstract

International audience; Folate receptor α (FRα) is overexpressed on numerous tumorous cell types such as ovarian or endometrial cancer cells. Moreover, FRα is absent from most healthy tissues as it is normally expressed only on the surface of proximal tubules cells of kidneys and choroid plexus. Thus, folate-based radiopharmaceuticals have emerged this last two decades as FRα is a target of choice to diagnose and treat numerous cancers. Nuclear imaging is a performing diagnostic technology using highly sensitive detectors and specific radiopharmaceuticals used to detect tumors at an earlier stage. Herein, an overview of the development of folate-based radiopharmaceuticals to detect FRα-positive tumors by nuclear imaging using positron emission tomography (PET) and single photon emission computed tomography (SPECT) is exposed. Strategies developed to improve precursor synthesis, bioavailability, clearance, and affinity to FRα will be detailed. Advances made to decrease kidney uptake open the gate to targeted radionuclide therapy (TRT) using folate-based radiopharmaceuticals to treat FRα-positive tumors. Thus, radiofolates used in TRT and more precisely in a theranostic approach will be depicted in this review

Published
2022

29. Pinch-off mechanism for Taylor bubble formation in a microfluidic flow-focusing device

Author

Chunying Zhu, Taotao Fu, Yutao Lu, Youguang Ma, Huai-Zhi Li, State Key Lab Chem Engn, Sch Chem Engn & Technol, Tianjin, Tianjin University (TJU), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Tianjin University, Laboratoire Réactions et Génie des Procédés ( LRGP ), and Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS )

Subjects
Physics, Microchannel, Bubble, Multiphase flow, Collapse (topology), 02 engineering and technology, Mechanics, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Breakup, [ CHIM ] Chemical Sciences, 01 natural sciences, 010305 fluids & plasmas, Electronic, Optical and Magnetic Materials, [SPI.MECA.MEFL]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Fluids mechanics [physics.class-ph], Physics::Fluid Dynamics, Flow focusing, Classical mechanics, 0103 physical sciences, Materials Chemistry, Pinch, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Liquid bubble, 0210 nano-technology
Abstract

The present work aims at studying the nonlinear breakup mechanism for Taylor bubble formation in a microfluidic flow-focusing device by using a high-speed digital camera. Experiments were carried out in a square microchannel with cross section of 600 × 600 μm. During the nonlinear collapse process, the variation of the minimum radius of bubble neck (r 0) with the remaining time until pinch-off (τ) can be scaled by a power–law relationship: $$r_{0} \propto \tau^{\alpha } .$$ Due to the interface rearrangement around the neck, the nonlinear collapse process can be divided into two distinct stages: liquid squeezing collapse stage and free pinch-off stage. In the liquid squeezing collapse stage, the neck collapses under the constriction of the liquid flow and the exponent α approaches to 0.33 with the increase in the liquid flow rate Q l. In the free pinch-off stage, the value of α is close to the theoretical value of 0.50 derived from the Rayleigh–Plesset equation and is independent of Q l.

Published
2014

30. Scaling of the bubble formation in a flow-focusing device: Role of the liquid viscosity

Author

Huai-Zhi Li, Taotao Fu, Youguang Ma, Yutao Lu, Chunying Zhu, State Key Lab Chem Engn, Sch Chem Engn & Technol, Tianjin, Tianjin University, Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Tianjin University (TJU), Laboratoire Réactions et Génie des Procédés (LRGP), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

Subjects
General Chemical Engineering, Bubble, Thermodynamics, 02 engineering and technology, Viscous liquid, 010402 general chemistry, 01 natural sciences, [ CHIM ] Chemical Sciences, Industrial and Manufacturing Engineering, [SPI.MECA.MEFL]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Fluids mechanics [physics.class-ph], Physics::Fluid Dynamics, Viscosity, Flow focusing, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Bubble point, Physics, Complex fluids, Applied Mathematics, Multiphase flow, General Chemistry, Mechanics, Interface, 021001 nanoscience & nanotechnology, Capillary number, 0104 chemical sciences, Hydrodynamics, Liquid bubble, 0210 nano-technology
Abstract

International audience; The present work studies the bubble formation in viscous liquids with the viscosity ranging from 5 to 400 mPa s by using a high-speed digital camera. The experiment was carried out in a flow-focusing device with square cross-section of 600 x 600 mu m. Results show that the viscous shear stress strongly influences the dynamics of bubble formation, including the shape and size of bubbles. The bubble size follows power-law relations with the gas flow rate, the flow rate and viscosity of the liquid phase respectively, indicating that bubbles formed in viscous fluids are controlled by a combination of squeezing mechanism and shearing mechanism. Therefore, the bubble size can be predicted by a power law function depending on the flow rate ratio of gas and liquid phases phi representing the squeezing mechanism and capillary number Ca representing the shearing mechanism. In addition, the dynamics of bubble formation in viscous liquids in a flow focusing device is also analyzed.

Published
2014

31. Transfer dynamics of road deicing salts in a retention pond for road water treatment

Author

Suaire, Rémi, Simonnot, Marie-Odile, Durickovic, Ivana, Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est ( Cerema Direction Est ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement ( Cerema ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Direction Est (Cerema Direction Est), Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement (Cerema), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and Centre d'Etudes et d'Expertise sur les Risques, l'Environnement, la Mobilité et l'Aménagement - Equipe-projet TEAM (Cerema Equipe-projet TEAM)

Subjects
[CHIM.ANAL]Chemical Sciences/Analytical chemistry, [ CHIM.ANAL ] Chemical Sciences/Analytical chemistry, ComputingMilieux_MISCELLANEOUS
Abstract

International audience

Published
2014

32. Effect of the fluid injection configuration on droplet size in a microfluidic T junction

Author

Denis Funfschilling, Odile Carrier, Huai-Zhi Li, Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Réactions et Génie des Procédés (LRGP), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Range (particle radiation), endocrine system, Materials science, Microfluidics, technology, industry, and agriculture, 02 engineering and technology, Mechanics, 021001 nanoscience & nanotechnology, 01 natural sciences, complex mixtures, [ CHIM ] Chemical Sciences, Capillary number, eye diseases, Volumetric flow rate, [SPI.MECA.MEFL]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Fluids mechanics [physics.class-ph], Physics::Fluid Dynamics, 0103 physical sciences, Physics::Atomic and Molecular Clusters, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Fluid injection, 010306 general physics, 0210 nano-technology, Droplet size, ComputingMilieux_MISCELLANEOUS, T junction
Abstract

International audience; The effect of confinement on the droplet formation in T junctions was studied for three configurations of fluid injection. The sizes of the main droplets and the satellite droplets were measured in the squeezing and dripping regimes. The evolution of droplet sizes with capillary number in the continuous phase is similar to that in flow-focusing junctions, i.e., the size of the main droplets decreases with an increase of this capillary number, while the size of the satellite droplets increases with an increase of this capillary number. While in the range of flow rates investigated the injection configuration does not exhibit a significant effect on the main droplet sizes, it does have an effect on the size of the satellite droplets. The latter ones are smaller when the neck rupture of the droplet occurs on an angle of the microsystem.

Published
2014

33. X-ray-Induced singlet oxygen activation with nanoscintillator-coupled porphyrins

Author

François Lux, Anne-Laure Bulin, Olivier Tillement, Rima Chouikrat, David Amans, Pascal Perriat, Muriel Barberi-Heyob, Christophe Dujardin, Céline Frochot, Gilles Ledoux, Charles Truillet, Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Matériaux, ingénierie et science [Villeurbanne] (MATEIS), Université de Lyon-Université de Lyon-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Centre de Recherche en Automatique de Nancy (CRAN), Médicaments Photoactivables - Photochimiothérapie (PHOTOMED), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université Claude Bernard Lyon 1 ( UCBL ), Université de Lyon, 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 ) -Université Paul Sabatier - Toulouse 3 ( UPS ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Physico-Chimie des Matériaux Luminescents ( LPCML ), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique ( CNRS ), Matériaux, ingénierie et science [Villeurbanne] ( MATEIS ), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique ( CNRS ) -Institut National des Sciences Appliquées de Lyon ( INSA Lyon ), Université de Lyon-Institut National des Sciences Appliquées ( INSA ) -Institut National des Sciences Appliquées ( INSA ), Centre de Recherche en Automatique de Nancy ( CRAN ), Médicaments Photoactivables - Photochimiothérapie ( PHOTOMED ), Institut de Chimie du CNRS ( INC ) -Centre National de la Recherche Scientifique ( CNRS ), 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)-Institut de Chimie de Toulouse (ICT-FR 2599), Institut National Polytechnique (Toulouse) (Toulouse INP), 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 National Polytechnique (Toulouse) (Toulouse INP), Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physico-Chimie des Matériaux Luminescents (LPCML), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon

Subjects
Biodistribution, medicine.medical_treatment, Photodynamic therapy, 02 engineering and technology, 010402 general chemistry, Photochemistry, 01 natural sciences, chemistry.chemical_compound, Biological property, medicine, polycyclic compounds, Molecule, [ SDV.IB ] Life Sciences [q-bio]/Bioengineering, Physical and Theoretical Chemistry, Spectroscopy, Singlet oxygen, X-ray, 021001 nanoscience & nanotechnology, Porphyrin, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, General Energy, chemistry, [SDV.IB]Life Sciences [q-bio]/Bioengineering, 0210 nano-technology
Abstract

International audience; Tb2O3 coated with a polysiloxane layer is a biocompatible nanoscintillator that exhibits an appropriate pattern of biodistribution after injection. In this contribution, we combine this nanosystem with porphyrin molecules that are able to generate singlet oxygen, a major cytotoxic agent for photodynamic therapy application. Using time-resolved laser spectroscopy and singlet oxygen probes, we demonstrate this combination is suitable for singlet oxygen generation induced by X-ray and provide a physical study of the energy transfer observed between the nanoscintillator and the porphyrin. Combined with a radiotherapy protocol, the proposed nanohybrid system presents a combination of physical, chemical, and biological properties that make it a good candidate for photodynamic effects in deep tissues.

Published
2013

34. Low-cost MRI devices and methods for real-time monitoring of flow and transfer phenomena in milli-channels

Author

Guerroudj, Feryal, Guendouz, Laouès, Hreiz, Rainier, Commenge, Jean-Marc, Klopffer, Lucie, Louvet, Nicolas, Mathieu, Laurence, Perrin, Jean-Christophe, Laboratoire Énergies et Mécanique Théorique et Appliquée (LEMTA ), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon, Arithmétiques des ordinateurs, méthodes formelles, génération de code (ARIC), Laboratoire de l'Informatique du Parallélisme (LIP), École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National de Recherche en Informatique et en Automatique (Inria)-Centre National de la Recherche Scientifique (CNRS)-Inria Lyon, Institut National de Recherche en Informatique et en Automatique (Inria), Laboratoire de Chimie Physique et Microbiologie pour les Matériaux et l'Environnement (LCPME), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), École Pratique des Hautes Études (EPHE), Université Paris sciences et lettres (PSL), and ANR-21-CE50-0027,BIOCIDES,Nouvelle stratégie de remédiation du bio-colmatage en milieu poreux : application à la géothermie(2021)

Subjects
milli-fluidics, NMR/MRI methods, Biofilms micromixers milli-fluidics NMR NMR/MRI methods radiofrequency milli-RF coils, micromixers, radiofrequency milli-RF coils, Biofilms, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, NMR
Abstract

International audience; Abstract An NMR/MRI methodology is developed for the study of flows in miniaturized systems handling volumes of fluid in the microliter range. Specific MRI devices are implemented, including radiofrequency coils with millimetric dimensions whose size and geometry correspond to the studied systems. We follow a low-cost development procedure of home-made milli-RF coils, including their dimensioning, the simulation of the produced electromagnetic field, their fabrication and their integration in experimental devices. In each of the two cases presented the filling factor is optimized and the sensitivity of the measurement is greatly improved over standard commercial instrumentations by a factor up to 17. Two applications are then discussed: the characterization of the hydrodynamics in an anchor shaped micromixer and the monitoring of the development of a biofilm at the pore scale.

Published
2022

35. Impact of structural flexibility in the adsorption of wheat and sunflower proteins at an air/water interface

Author

Alexandre Poirier, Amélie Banc, Romain Kapel, Martin In, Antonio Stocco, Laurence Ramos, Laboratoire Charles Coulomb (L2C), Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Institut Charles Sadron (ICS), Université de Strasbourg (UNISTRA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Matériaux et Nanosciences Grand-Est (MNGE), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), ANR-10-IEED-0001,PIVERT,Picardie Innovations Végétales, Enseignement et Recherches Technologiques(2010), KAPEL, Romain, and Picardie Innovations Végétales, Enseignement et Recherches Technologiques - - PIVERT2010 - ANR-10-IEED-0001 - IEED - VALID

Subjects
Plant protein, Colloid and Surface Chemistry, Surface tension, Surface excess concentration, Structure, [PHYS.COND.CM-SCM]Physics [physics]/Condensed Matter [cond-mat]/Soft Condensed Matter [cond-mat.soft], Surface rheology, [PHYS.COND.CM-SCM] Physics [physics]/Condensed Matter [cond-mat]/Soft Condensed Matter [cond-mat.soft]
Abstract

Food transition requires the replacement in human diet of animal-based proteins by alternative sources of proteins including plant-based proteins. This calls for a detailed knowledge of the functional properties of plant-based proteins, including their surface activity. In this framework, we provide here a comparative study of the interfacial properties of two plant proteins, extracted respectively from wheat and sunflower. We combine time- and concentration-dependent measurements of the surface tension and the surface rheology, as measured with a pendant-drop set-up, and of the surface excess concentration, as measured by ellipsometry, of plant protein interfacial films. We demonstrate a time-concentration superposition principle for the surface pressure and surface excess concentration, showing that the kinetics for the building of the interfacial films is essentially governed by the diffusion of the proteins from the bulk to the interface. We find that the rheological and structural properties of the interfacial protein films show markedly different behaviors for the two classes of protein, which is encoded in the structural features of the individual proteins: wheat proteins are more surface active than sunflower proteins, are keen to compress and re-arrange at an air-water interface, whereas sunflower proteins do not. This work provides qualitative and quantitative analysis of the comparative interfacial behavior of flexible and rigid plant proteins extracted respectively from wheat and sunflower, and demonstrates that a combination of several experimental techniques is necessary to obtain insightful information on the interfacial properties of any species.

Published
2022

36. Deciphering nutrient cross-feeding interaction network in an artificial bacterial consortium

Author

Magali Roger, Xavier Marbehan, Pascale Infossi, Louis Delecourt, Cassandra Backes, Stéphane Delaunay, Marie-Thérèse Giudici-Orticoni, Bioénergétique et Ingénierie des Protéines (BIP ), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), MRC London Institute of Medical Sciences (LMC), and Imperial College London

Subjects
[SDV]Life Sciences [q-bio], Biophysics, Cell Biology, Biochemistry
Abstract

International audience

Published
2022

37. Impact of the size and degree of branching of alkanes on the rate rules approach: the case of isomerizations

Author

Citrangolo Destro, Fabiola, Fournet, René, Warth, Valérie, Glaude, Pierre-Alexandre, Sirjean, Baptiste, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and European Project: 101003318,BioSCOPE

Subjects
[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, rate rules, Mechanical Engineering, General Chemical Engineering, [SPI.FLUID]Engineering Sciences [physics]/Reactive fluid environment, Physical and Theoretical Chemistry, kinetic model generation, H-atom shifts, theoretical chemistry
Abstract

International audience; The accurate and high-throughput generation of kinetic data for combustion detailed chemical kinetic models remains a challenge given the large size of these models. For large organic molecules, the majority of kinetic data of the kinetic models are estimated using quantitative structure activity relationships within reaction classes and reaction rate rules approaches. In this work, we question the limits of the rate rule approach for the isomerization reaction classes, using electronic structure calculations and reaction rate theories. Systematic calculations were performed to investigate the effect of the size and the degree of branching of alkyl radicals on the rate coefficients and their consequences on the rate rule approach. Our computed kinetic data show that when the size of alkyl group is increased, the rate coefficients remains close to each other. This allows the use of methyl as representative models of larger alkyl groups to investigate the influence of increasing the degree of branching. The computed rate coefficients for 1,3-and 1,4-H-atom shifts show that the increase of the branching level, with spectator methyl groups in the transition state cyclic structure can strongly increase the rate coefficients, up to several orders of magnitude. Consequently, a single rate rule is not feasible for any degree of branching of a reaction belonging to the same isomerization reaction class. As variation in rate coefficients are important, this would lead to an explosion of the number rate rules as a function of branching in 5-, 6-, and 7membered cyclic transition states. A new approach is demonstrated and proposed where model transition states are tabulated, and methyl groups are assumed as alkyl groups and all combinations of substitutions in the model TSs, for a given reaction class, are included in a table with associated ab initio rate coefficients. The automation of the construction of such tables is possible and could be an interesting high-throughput / high-accuracy alternative to on-the-fly ab initio calculations of kinetic parameters.

Published
2022

38. Hybrid Flow Bioreactor with All Catalysts Immobilized for Enzymatic Electrosynthesis

Author

Wassim El Housseini, François Lapicque, Steve Pontvianne, Neus Vilà, Ievgen Mazurenko, Alain Walcarius, Mathieu Etienne, Laboratoire de Chimie Physique et Microbiologie pour les Matériaux et l'Environnement (LCPME), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Bioénergétique et Ingénierie des Protéines (BIP ), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), CNRS, and European Regional Development Fund (ERDF)

Subjects
Bioconversion, Gas diffusion electrode, [CHIM.ANAL]Chemical Sciences/Analytical chemistry, β-nicotinamide adenine dinucleotide, Electrochemistry, [CHIM]Chemical Sciences, Electrochemical regeneration, [CHIM.CATA]Chemical Sciences/Catalysis, Catalysis, Redox flow
Abstract

International audience; The electrochemical regeneration of the NADH cofactor was realized in a hybrid flow reactor coupling fuel cell technology and redox flow device, paying attention to the robust immobilization of all catalysts. The rhodium catalyst Rh(Cp∗)(bpy)Cl+ was covalently immobilized on a MWCNT layer and the association with the gas diffusion electrode was carefully optimized. High stability and activity of the electrochemical system were assessed by cyclic voltammetry and amperometry in the flow reactor. Afterwards, the optimal cofactor regeneration was applied to NADH-dependent biosynthesis using immobilized lactate dehydrogenase for the conversion of pyruvate to lactate in the flow cell in the presence of cofactor concentration as low as 10 μM. 79 % faradaic efficiency was achieved and remarkable total turnover number (TTN) were reached: 2500, 18000, and 180000, for the NADH cofactor, the Rh complex and the LDH enzyme, respectively.

Published
2022

39. Recovery of nickel from strongly acidic bio-ore leachate using a bispicolylamine-based chelating resin

Author

Bastien Jally, Mathilde François, Morgane Kessler, Baptiste Laubie, Marie-Odile Simonnot, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and European Project: 652615,H2020,H2020-ISIB-2014-1,FACCE SURPLUS(2015)

Subjects
Chelating resin, agromining, hydrometallurgy, Filtration and Separation, phytomining, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, column experiments, Analytical Chemistry, nickel recovery
Abstract

International audience; Given the increasing demand for nickel (Ni) in the Li-ion battery industry, the agromining chain of processes, based on phytomining of Ni combined with hydrometallurgy, has the potential to form an important source of Ni. Currently, plants grown on Ni-rich soils (in this case Odontarrhena chalcidica), having hyperaccumulated Ni, are ashed, and the Ni is transferred from ash to solution by sulfuric acid leaching. This work focuses on the recovery of Ni-sulfate from this strongly acidic leachate that contains many cations. For this purpose, a bispicolylamine-based chelating resin (Dowex M4195) was tested to better understand the functioning of this resin under these conditions. Column experiments were performed with model synthetic solutions containing Ni and Na-sulfate at pH 2. A set of reactions has been formulated to describe the interactions involved and used in a model combining transport in porous media and chemical reactions at equilibrium. Excellent agreement between the experimental and the calculated breakthrough curves were obtained by adjusting only two parameters. The set of reactions and parameters allowed to fit with sufficient accuracy the breakthrough curves obtained from an ash leachate of the hyperaccumulator plant O. chalcidica. A better understanding of the use of the Dowex M4195 resin for the extraction of Ni from a strong acid multicomponent solution has been achieved, and this separation has been shown to be promising for the recovery of Ni extracted from hyperaccumulator plant bio-ores as part of the agromining process.

Published
2022

40. Bifunctional polypyridyl-Ru(II) complex grafted onto gadolinium-based nanoparticles for MR-imaging and Q1 photodynamic therapy

Author

Truillet, Charles, Lux, François, Moreau, Juliette, Four, Mickael, Sancey, Lucie, Chevreux, Sylviane, Bœuf, Gaëlle, Perriat, Pascal, Frochot, Céline, Antoine, Rodolphe, Dugourd, Philippe, Portefaix, Christophe, Hoeffel, Christine, Barberi-Heyob, Muriel, Terryn, Christine, van Gulick, Laurence, Lemercier, Gilles, Tillement, Olivier, Université Claude Bernard Lyon 1 ( UCBL ), Université de Lyon, Laboratoire de Chimie - UMR5182 ( LC ), École normale supérieure - Lyon ( ENS Lyon ) -Université Claude Bernard Lyon 1 ( UCBL ), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Physico-Chimie des Matériaux Luminescents ( LPCML ), Matériaux, ingénierie et science [Villeurbanne] ( MATEIS ), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique ( CNRS ) -Institut National des Sciences Appliquées de Lyon ( INSA Lyon ), Université de Lyon-Institut National des Sciences Appliquées ( INSA ) -Institut National des Sciences Appliquées ( INSA ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Médicaments Photoactivables - Photochimiothérapie ( PHOTOMED ), Institut de Chimie du CNRS ( INC ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Spectrométrie Ionique et Moléculaire ( LASIM ), Hôpital Maison Blanche, Centre Hospitalier Universitaire de Reims ( CHU Reims ), Centre de Recherche en Automatique de Nancy ( CRAN ), Plateforme en Imagerie Cellulaire et Tissulaire ( PICT ), Université de Reims Champagne-Ardenne ( URCA ) -SFR CAP Santé (Champagne-Ardenne Picardie Santé), Université de Reims Champagne-Ardenne ( URCA ) -Université de Picardie Jules Verne ( UPJV ) -Université de Reims Champagne-Ardenne ( URCA ) -Université de Picardie Jules Verne ( UPJV ), Matrice extracellulaire et dynamique cellulaire - UMR 7369 ( MEDyC ), Université de Reims Champagne-Ardenne ( URCA ) -Université de Picardie Jules Verne ( UPJV ) -Université de Reims Champagne-Ardenne ( URCA ) -Université de Picardie Jules Verne ( UPJV ) -Centre National de la Recherche Scientifique ( CNRS ), Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie - UMR5182 (LC), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-École normale supérieure - Lyon (ENS Lyon)-Institut de Chimie du CNRS (INC), Institut de Chimie Moléculaire de Reims - UMR 7312 (ICMR), SFR Condorcet, Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS)-SFR CAP Santé (Champagne-Ardenne Picardie Santé), Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Matériaux, ingénierie et science [Villeurbanne] (MATEIS), Université de Lyon-Université de Lyon-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Médicaments Photoactivables - Photochimiothérapie (PHOTOMED), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Centre Hospitalier Universitaire de Reims (CHU Reims), Centre de Recherche en Automatique de Nancy (CRAN), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL), Plateforme en Imagerie Cellulaire et Tissulaire (PICT), Université de Reims Champagne-Ardenne (URCA)-SFR CAP Santé (Champagne-Ardenne Picardie Santé), Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV), Matrice extracellulaire et dynamique cellulaire - UMR 7369 (MEDyC), Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Université de Reims Champagne-Ardenne (URCA)-Université de Picardie Jules Verne (UPJV)-Centre National de la Recherche Scientifique (CNRS), École normale supérieure de Lyon (ENS de Lyon)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Université de Reims Champagne-Ardenne (URCA)-Institut de Chimie du CNRS (INC)-SFR CAP Santé (Champagne-Ardenne Picardie Santé), Université de Reims Champagne-Ardenne (URCA)-Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS)-SFR Condorcet, Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS)-Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS), Université de Reims Champagne-Ardenne (URCA)-Université de Reims Champagne-Ardenne (URCA), and Université de Reims Champagne-Ardenne (URCA)-Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS)

Subjects
[SDV.IB]Life Sciences [q-bio]/Bioengineering, [ SDV.IB ] Life Sciences [q-bio]/Bioengineering
Abstract

International audience; The synthesis, optical properties and efficiency of new multifunctionnal nanoparticles as theranostic (fluorescence/MRI/PDT) agents are described. They are based on a polysiloxane network and surrounded by gadolinium(III) chelates and ruthenium(II) complexes. The size of the nanoparticles is maintained under 5 nanometres in order to permit their efficient elimination from the body. Their potential use as a theranostic agent (PDT/MRI) is described. The magnetic properties of the nanoparticles are studied by relaxometry (r1 = 9.21 mM-1.s-1 at 40 MHz; r2/r1 = 1.14) and the signal enhancement is validated by the acquisition of phantoms on a 3T MRI imager. The therapeutic potential for photodynamic therapy of the nanoparticles has been studied in vitro on HEK293 cells and an effective quantum yield of 0.33 for 1O2 production has been determined in deuterated water.

Published
2013

41. Bubble formation at an orifice: A multiscale investigation

Author

Nadia Mayoufi, Nicolas Dietrich, Huai Z. Li, Noël Midoux, Souhila Poncin, Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Réactions et Génie des Procédés (LRGP), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

Subjects
General Chemical Engineering, Bubble, µ-PIV, 02 engineering and technology, [ CHIM ] Chemical Sciences, Industrial and Manufacturing Engineering, [SPI.MECA.MEFL]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Fluids mechanics [physics.class-ph], Physics::Fluid Dynamics, [CHIM.GENI]Chemical Sciences/Chemical engineering, 020401 chemical engineering, Phase (matter), Mass transfer, Newtonian fluid, 0204 chemical engineering, Physics, Applied Mathematics, General Chemistry, Mechanics, Velocimetry, 021001 nanoscience & nanotechnology, flow measurements, PIV, Classical mechanics, multiscale, lateral flow, Liquid bubble, 0210 nano-technology, Shear flow, Body orifice, bubble formation
Abstract

International audience; The formation of gas bubbles in a liquid is of both academic and industrial interest, and sets the initial conditions for the hydrodynamics, heat and mass transfer as well as chemical reactions from a dispersed gaseous phase to the liquid phase in industrial processes. The literature on bubble formation from a single submerged orifice is large in both Newtonian and non-Newtonian fluids. Despite the numerous theoretical and experimental investigations, the mechanisms of bubble growth and detachment remain far from fully understood. The study of bubble formation at micro-scale and especially in the presence of a lateral liquid flow field is still very limited. This is the topic for consideration in the present paper. In particular, this study compares both qualitatively and quantitatively the formation of bubbles at micro- and macro-scales. A high-speed digital camera (up to 10,000 images s(-1)), a micro-Particle Image Velocimetry (mu-PIV) system and also a macro-PIV (PIV) were employed in this work, to measure the velocity flow field at micro- and macro-scales. At macro-scale, experiments were conducted in a square Altuglas column of 0.1 m filled with water or viscous Emkarox solutions using different orifice sizes and various gas flowrates. A rotating device above the orifice in the column was used to impose a shear flow on the forming bubble at the orifice. At micro-scale, different sizes of micro-reactors (600 and 1000 mu m) and different micro-devices were employed to compare the mechanism of bubble formation. A correlation based on dimensionless numbers was proposed to estimate the formed bubble volume at micro- and macro-scales in order to reveal the main factors governing the formation mechanisms.

Published
2013

42. Numerical simulation of the interactions between three equal-interval parallel bubbles rising in non-Newtonian fluids

Author

Youguang Ma, Chunying Zhu, Taotao Fu, Jingru Liu, Huai-Zhi Li, State Key Lab Chem Engn, Sch Chem Engn & Technol, Tianjin, Tianjin University, Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Tianjin University (TJU), Laboratoire Réactions et Génie des Procédés (LRGP), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Coalescence (physics), Physics, Maximum bubble pressure method, Applied Mathematics, General Chemical Engineering, Bubble, Multiphase flow, 02 engineering and technology, General Chemistry, Mechanics, 021001 nanoscience & nanotechnology, Breakup, 01 natural sciences, [ CHIM ] Chemical Sciences, Industrial and Manufacturing Engineering, Non-Newtonian fluid, [SPI.MECA.MEFL]Engineering Sciences [physics]/Mechanics [physics.med-ph]/Fluids mechanics [physics.class-ph], 010305 fluids & plasmas, Surface tension, Physics::Fluid Dynamics, 0103 physical sciences, Volume of fluid method, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, 0210 nano-technology
Abstract

International audience; The motion and interactions of three equal-interval parallel bubbles in non-Newtonian fluids were numerically simulated by volume of fluid method (VOF), in which the continuous surface tension model and the power-law model were adopted to represent surface tension and rheological properties of non-Newtonian fluids, respectively. The computational method was validated by the comparison of the processes of coalescence of two in-line bubbles and rising of two parallel bubbles between experiment and simulation. This method was then applied to study the effect of initial bubble diameter, initial horizontal bubble interval and rheological properties of non-Newtonian fluids on lateral coalescence and rising of three parallel bubbles. The dimensionless critical horizontal interval of bubble coalescence was obtained under different physical property conditions. The critical horizontal interval of bubble coalescence decreases with the increase of initial bubble diameter and flow index of non-Newtonian fluids. When the initial horizontal bubble interval is less than the critical horizontal interval of bubble coalescence, three bubbles will coalesce into a bigger bubble. The coalescing bubble could breakup into two identical daughter bubbles when the initial bubble diameter was increased or the flow index of non-Newtonian fluids was decreased. Three parallel bubbles rising in non-Newtonian fluids will experience repulsive interactions once the initial horizontal bubble interval is greater than the critical horizontal interval of bubble coalescence, the horizontal bubble interval increased gradually owing to the repulsive effect, while the vertical distance between bubbles varied dramatically for spherical bubble and ellipsoidal bubble due to the differences of their flow field structures.

Published
2013

43. Real-time monitoring of photocytotoxicity in nanoparticles-based photodynamic therapy: a model-based approach

Author

Benachour, Hamanou, Bastogne, Thierry, Toussaint, Magali, Chemli, Yosra, Sève, Aymeric, Frochot, Céline, Lux, François, Tillement, Olivier, Vanderesse, Régis, Barberi-Heyob, Muriel, Centre de Recherche en Automatique de Nancy (CRAN), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Biology, genetics and statistics (BIGS), Inria Nancy - Grand Est, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Institut Élie Cartan de Lorraine (IECL), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), Laboratoire de Chimie Physique Macromoléculaire (LCPM), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Médicaments Photoactivables - Photochimiothérapie (PHOTOMED), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Physico-Chimie des Matériaux Luminescents (LPCML), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon, Centre Alexis Vautrin (CAV), Centre de Recherche en Automatique de Nancy ( CRAN ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Biology, genetics and statistics ( BIGS ), Institut National de Recherche en Informatique et en Automatique ( Inria ) -Institut National de Recherche en Informatique et en Automatique ( Inria ) -Institut Élie Cartan de Lorraine ( IECL ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ) -Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Laboratoire de Chimie Physique Macromoléculaire ( LCPM ), Médicaments Photoactivables - Photochimiothérapie ( PHOTOMED ), Institut de Chimie du CNRS ( INC ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Physico-Chimie des Matériaux Luminescents ( LPCML ), Université Claude Bernard Lyon 1 ( UCBL ), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique ( CNRS ), Centre Alexis Vautrin ( CAV ), Université Claude Bernard Lyon 1 (UCBL), and Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

Subjects
Time Factors, Light, Materials Science, Cancer Treatment, lcsh:Medicine, Biostatistics, Toxicology, Models, Biological, Cell Growth, Engineering, Computer Systems, Cell Line, Tumor, Molecular Cell Biology, Cell Adhesion, Statistical Signal Processing, Nanotechnology, Humans, [ SDV.IB ] Life Sciences [q-bio]/Bioengineering, lcsh:Science, Biology, Cell Proliferation, Photosensitizing Agents, Cell Death, Systems Biology, Statistics, lcsh:R, Computational Biology, Cancers and Neoplasms, Kinetics, Oncology, Photochemotherapy, Signal Processing, Bionanotechnology, Multivariate Analysis, Linear Models, Medicine, Nanoparticles, lcsh:Q, [SDV.IB]Life Sciences [q-bio]/Bioengineering, Cell Division, Mathematics, Research Article
Abstract

International audience; Nanoparticles are widely suggested as targeted drug-delivery systems. In photodynamic therapy (PDT), the use of multifunctional nanoparticles as photoactivatable drug carriers is a promising approach for improving treatment efficiency and selectivity. However, the conventional cytotoxicity assays are not well adapted to characterize nanoparticles cytotoxic effects and to discriminate early and late cell responses. In this work, we evaluated a real-time label-free cell analysis system as a tool to investigate in vitro cyto- and photocyto-toxicity of nanoparticles-based photosensitizers compared with classical metabolic assays. To do so, we introduced a dynamic approach based on real-time cell impedance monitoring and a mathematical model-based analysis to characterize the measured dynamic cell response. Analysis of real-time cell responses requires indeed new modeling approaches able to describe suited use of dynamic models. In a first step, a multivariate analysis of variance associated with a canonical analysis of the obtained normalized cell index (NCI) values allowed us to identify different relevant time periods following nanoparticles exposure. After light irradiation, we evidenced discriminant profiles of cell index (CI) kinetics in a concentration- and light dose-dependent manner. In a second step, we proposed a full factorial design of experiments associated with a mixed effect kinetic model of the CI time responses. The estimated model parameters led to a new characterization of the dynamic cell responses such as the magnitude and the time constant of the transient phase in response to the photo-induced dynamic effects. These parameters allowed us to characterize totally the in vitro photodynamic response according to nanoparticle-grafted photosensitizer concentration and light dose. They also let us estimate the strength of the synergic photodynamic effect. This dynamic approach based on statistical modeling furnishes new insights for in vitro characterization of nanoparticles-mediated effects on cell proliferation with or without light irradiation.

Published
2012

44. Multifunctional peptide-conjugated hybrid silica nanoparticles for photodynamic therapy and MRI

Author

Hamanou Benachour, Imen Miladi, Olivier Tillement, Céline Frochot, Aymeric Sève, François Lux, Jordane Jasniewski, Thierry Bastogne, Muriel Barberi-Heyob, Claire Billotey, Régis Vanderesse, Centre de Recherche en Automatique de Nancy (CRAN), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), Biology, genetics and statistics (BIGS), Inria Nancy - Grand Est, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Institut Élie Cartan de Lorraine (IECL), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Médicaments Photoactivables - Photochimiothérapie (PHOTOMED), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie Physique Macromoléculaire (LCPM), Institut de Chimie du CNRS (INC)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire d'Ingénierie des Biomolécules (LIBio), Université de Lorraine (UL), Laboratoire de Physico-Chimie des Matériaux Luminescents (LPCML), Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon, Centre Alexis Vautrin (CAV), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), Centre de Recherche en Automatique de Nancy ( CRAN ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Biology, genetics and statistics ( BIGS ), Institut National de Recherche en Informatique et en Automatique ( Inria ) -Institut National de Recherche en Informatique et en Automatique ( Inria ) -Institut Élie Cartan de Lorraine ( IECL ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ) -Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Médicaments Photoactivables - Photochimiothérapie ( PHOTOMED ), Institut de Chimie du CNRS ( INC ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Chimie Physique Macromoléculaire ( LCPM ), Laboratoire d'Ingénierie des Biomolécules ( LIBio ), Université de Lorraine ( UL ), Laboratoire de Physico-Chimie des Matériaux Luminescents ( LPCML ), Université Claude Bernard Lyon 1 ( UCBL ), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique ( CNRS ), and Centre Alexis Vautrin ( CAV )

Subjects
Gadolinium, medicine.medical_treatment, Brain tumor, Medicine (miscellaneous), chemistry.chemical_element, Photodynamic therapy, Nanotechnology, Peptide, 02 engineering and technology, 010402 general chemistry, Targeted PDT, 01 natural sciences, chemistry.chemical_compound, medicine, DOTA, Photosensitizer, [ SDV.IB ] Life Sciences [q-bio]/Bioengineering, Pharmacology, Toxicology and Pharmaceutics (miscellaneous), chemistry.chemical_classification, business.industry, 021001 nanoscience & nanotechnology, medicine.disease, 0104 chemical sciences, 3. Good health, neuropilin-1, chemistry, Cancer cell, Chlorin, Cancer research, [SDV.IB]Life Sciences [q-bio]/Bioengineering, functionalized theranostic nanoparticles, 0210 nano-technology, business, brain tumor, Research Paper, MRI
Abstract

International audience; Photodynamic therapy (PDT) is an emerging theranostic modality for various cancer as well as non-cancer diseases. Its efficiency is mainly based on a selective accumulation of PDT and imaging agents in tumor tissue. The vascular effect is widely accepted to play a major role in tumor eradication by PDT. To promote this vascular effect, we previously demonstrated the interest of using an active- targeting strategy targeting neuropilin-1 (NRP-1), mainly over-expressed by tumor angiogenic vessels. For an integrated vascular-targeted PDT with magnetic resonance imaging (MRI) of cancer, we developed multifunctional gadolinium-based nanoparticles consisting of a surface-localized tumor vasculature targeting NRP-1 peptide and polysiloxane nanoparticles with gadolinium chelated by DOTA derivatives on the surface and a chlorin as photosensitizer. The nanoparticles were surface-functionalized with hydrophilic DOTA chelates and also used as a scaffold for the targeting peptide grafting. In vitro investigations demonstrated the ability of multifunctional nanoparticles to preserve the photophysical properties of the encapsulated photosensitizer and to confer photosensitivity to MDA-MB-231 cancer cells related to photosensitizer concentration and light dose. Using binding test, we revealed the ability of peptide-functionalized nanoparticles to target NRP-1 recombinant protein. Importantly, after intravenous injection of the multifunctional nanoparticles in rats bearing intracranial U87 glioblastoma, a positive MRI contrast enhancement was specifically observed in tumor tissue. Real-time MRI analysis revealed the ability of the targeting peptide to confer specific intratumoral retention of the multifunctional nanoparticles.

Published
2012

45. Toxicity of carbon dioxide: A review

Author

Thierry Jo Molina, Mireille Régnier, Jacques Bonte, Adeline Guais, Gérard Brand, Georges Grevillot, Sam Dukan, Mélanie Karrer, Laurence Jacquot, Laurent Schwartz, Algorithms and Models for Integrative Biology (AMIB ), Laboratoire d'informatique de l'École polytechnique [Palaiseau] (LIX), Centre National de la Recherche Scientifique (CNRS)-École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS)-École polytechnique (X)-Laboratoire de Recherche en Informatique (LRI), Université Paris-Sud - Paris 11 (UP11)-CentraleSupélec-Centre National de la Recherche Scientifique (CNRS)-Université Paris-Sud - Paris 11 (UP11)-CentraleSupélec-Centre National de la Recherche Scientifique (CNRS)-Inria Saclay - Ile de France, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria), Laboratoire de Neurosciences Intégratives et Cliniques - UFC (EA 481) (NEURO), Université de Franche-Comté (UFC), Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université Bourgogne Franche-Comté [COMUE] (UBFC), Centre des Sciences du Goût et de l'Alimentation [Dijon] (CSGA), Institut National de la Recherche Agronomique (INRA)-Université de Bourgogne (UB)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Centre National de la Recherche Scientifique (CNRS), Laboratoire de chimie bactérienne (LCB), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL), Centre National de la Recherche Scientifique (CNRS)-École polytechnique (X), CHU Pitié-Salpêtrière [AP-HP], Sorbonne Université-Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP), Biorébus, Centre des Sciences du Goût et de l'Alimentation [Dijon] ( CSGA ), Institut National de la Recherche Agronomique ( INRA ) -Université de Bourgogne ( UB ) -AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Centre National de la Recherche Scientifique ( CNRS ), Laboratoire de Neurosciences Intégratives et Cliniques - UFC (EA 481) ( NEURO ), Université de Franche-Comté ( UFC ) -Université Bourgogne Franche-Comté [COMUE] ( UBFC ), Centre National de la Recherche Scientifique ( CNRS ), Laboratoire des Sciences du Génie Chimique ( LSGC ), AP-HP - Hôpital Cochin Broca Hôtel Dieu [Paris], Laboratoire d'informatique de l'École polytechnique [Palaiseau] ( LIX ), Centre National de la Recherche Scientifique ( CNRS ) -École polytechnique ( X ), AP-HP Hôpital Raymond Poincaré [Garches], Biorebus, Université Bourgogne Franche-Comté [COMUE] (UBFC)-Université de Franche-Comté (UFC), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), CHU Pitié-Salpêtrière [APHP], Centre National de la Recherche Scientifique (CNRS), Laboratoire des Sciences du Génie Chimique (LSGC), Institut National Polytechnique de Lorraine (INPL)-Centre National de la Recherche Scientifique (CNRS), Algorithms and Models for Integrative Biology ( AMIB ), École polytechnique ( X ) -Centre National de la Recherche Scientifique ( CNRS ) -École polytechnique ( X ) -Centre National de la Recherche Scientifique ( CNRS ) -Laboratoire de Recherche en Informatique ( LRI ), Université Paris-Sud - Paris 11 ( UP11 ) -Institut National de Recherche en Informatique et en Automatique ( Inria ) -CentraleSupélec-Centre National de la Recherche Scientifique ( CNRS ) -Université Paris-Sud - Paris 11 ( UP11 ) -Institut National de Recherche en Informatique et en Automatique ( Inria ) -CentraleSupélec-Centre National de la Recherche Scientifique ( CNRS ) -Inria Saclay - Ile de France, Institut National de Recherche en Informatique et en Automatique ( Inria ), Laboratoire de Neurosciences Intégratives et Cliniques - UFC ( NEURO ), Université Bourgogne Franche-Comté ( UBFC ) -Université de Franche-Comté ( UFC ), Laboratoire de chimie bactérienne ( LCB ), Aix Marseille Université ( AMU ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), École polytechnique ( X ) -Centre National de la Recherche Scientifique ( CNRS ), Centre National de la Recherche Scientifique (CNRS)-AgroSup Dijon - Institut National Supérieur des Sciences Agronomiques, de l'Alimentation et de l'Environnement-Institut National de la Recherche Agronomique (INRA)-Université de Bourgogne (UB), École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS), Hôpital Raymond Poincaré [AP-HP], and Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)

Subjects
Central Nervous System, MESH : Carcinogens, [ SDV.AEN ] Life Sciences [q-bio]/Food and Nutrition, [ SDV.TOX ] Life Sciences [q-bio]/Toxicology, Physiology, 010501 environmental sciences, Toxicology, Long term toxicity, MESH: Reproduction, MESH: Carbon Dioxide, Cardiovascular System, 01 natural sciences, Tobacco smoke, MESH: Carcinogens, Hypercapnia, chemistry.chemical_compound, MESH: Bicarbonates, MESH: Animals, [ SDV.BIBS ] Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], Lung, Acidosis, 0303 health sciences, Inhalation, MESH : Central Nervous System, Reproduction, MESH : Reproduction, General Medicine, [SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM], 3. Good health, MESH : Carbon Dioxide, [SDV.TOX]Life Sciences [q-bio]/Toxicology, Toxicity, Carbon dioxide, MESH: Acidosis, Respiratory, medicine.symptom, MESH : Lung, MESH : Bicarbonates, 03 medical and health sciences, MESH : Cardiovascular System, [ INFO.INFO-BI ] Computer Science [cs]/Bioinformatics [q-bio.QM], medicine, Animals, Humans, MESH: Central Nervous System, MESH: Lung, Carcinogen, 030304 developmental biology, 0105 earth and related environmental sciences, Fetus, MESH: Humans, MESH : Hypercapnia, business.industry, MESH: Cardiovascular System, MESH : Humans, Carbon Dioxide, MESH : Acidosis, Respiratory, Bicarbonates, chemistry, MESH: Hypercapnia, Carcinogens, MESH : Animals, Acidosis, Respiratory, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], business, [SDV.AEN]Life Sciences [q-bio]/Food and Nutrition
Abstract

Lien vers le texte intégral : http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?cmd=Retrieve&db=pubmed&dopt=Abstract&list_uids=21732636; International audience; The toxicity of carbon dioxide has been established for close to a century. A number of animal experiments have explored both acute and long-term toxicity with respect to the lungs, the cardiovascular system, and the bladder, showing inflammatory and possible carcinogenic effects. Carbon dioxide also induces multiple fetal malformations and probably reduces fertility in animals. The aim of the review is to recapitulate the physiological and metabolic mechanisms resulting from CO(2) inhalation. As smokers are exposed to a high level of carbon dioxide (13%) that is about 350 times the level in normal air, we propose the hypothesis that carbon dioxide plays a major role in the long term toxicity of tobacco smoke.

Published
2011

46. Design of a reactor operating in supercritical water conditions using CFD simulations. Examples of synthesized nanomaterials

Author

Mostapha Ariane, Frédéric Bernard, Hervé Muhr, Antoine Leybros, Frédéric Demoisson, Laboratoire Interdisciplinaire Carnot de Bourgogne ( LICB ), Université de Bourgogne ( UB ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), OSEO, Laboratoire Interdisciplinaire Carnot de Bourgogne (LICB), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), and Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)

Subjects
Materials science, CONTINUOUS HYDROTHERMAL SYNTHESIS, General Chemical Engineering, Nuclear engineering, Oxide, Nanotechnology, 02 engineering and technology, Computational fluid dynamics, 010402 general chemistry, 7. Clean energy, 01 natural sciences, MIXER, Nanomaterials, Crystallinity, chemistry.chemical_compound, NANOPOWDERS, METAL-OXIDE NANOPARTICLES, Nano-oxides, Fluent, PARTICLES, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Physical and Theoretical Chemistry, High-resolution transmission electron microscopy, Supercritical water, business.industry, [ SPI.GPROC ] Engineering Sciences [physics]/Chemical and Process Engineering, 021001 nanoscience & nanotechnology, Condensed Matter Physics, CFD simulations, Supercritical fluid, 0104 chemical sciences, Powder synthesis, NANOCRYSTALS, chemistry, Scientific method, 0210 nano-technology, business
Abstract

International audience; Direct information about fluids under supercritical water conditions is unfeasible due to the engineering restrictions at high pressure and high temperature. Numerical investigations based on computational fluid dynamics (CFD) calculations are widely used in order to get extensive information on the fluid behavior, particularly to help the design of a new reactor. This paper presents the numerical investigations performed on an original supercritical water device, especially in the level of the reactor. CFD calculations allow to design and optimize the present reactor described in this study. Currently, this process produces some nanometric oxide powders in continuous way with a production rate of 10-15g h(-1). Examples of synthesized nanomaterials are presented in order to prove the process efficiency. Crystalline ZrO(2) and TiO(2) were produced from a metallic salt and an organometallic as precursors, respectively. XRD and HRTEM analyses show nanosized particles with an uniform size distribution (

Published
2011

47. Particle synthesis by means of the thermal hydrolysis of mineral precursors

Author

Aymes , D., Ariane , Mostapha, Bernard , F., Muhr , Hervé, Demoisson , Frédéric, Laboratoire de Recherche sur la Réactivité des Solides ( LRRS ), Université de Bourgogne ( UB ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Réactions et Génie des Procédés ( LRGP ), Université de Lorraine ( UL ) -Centre National de la Recherche Scientifique ( CNRS ), Laboratoire Interdisciplinaire Carnot de Bourgogne ( LICB ), Laboratoire de Recherche sur la Réactivité des Solides (LRRS), Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire Carnot de Bourgogne (LICB), and Wild, Gabriel

Subjects
[SPI.GPROC] Engineering Sciences [physics]/Chemical and Process Engineering, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, [ SPI.GPROC ] Engineering Sciences [physics]/Chemical and Process Engineering
Published
2011

48. A comparative study of COSMO-based and equation-of-state approaches for the prediction of solvation energies based on the compsol databank

Author

Francisco Carlos Paes, Romain Privat, Jean-Noël Jaubert, Baptiste Sirjean, Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), and European Project: 101003318

Subjects
General Chemical Engineering, General Physics and Astronomy, [SPI.GPROC]Engineering Sciences [physics]/Chemical and Process Engineering, Physical and Theoretical Chemistry
Abstract

International audience; The computation of solvation energies has many uses in several fields, such as design of separation processes, pharmacology and drug-design, and kinetic modeling. These applications require thermodynamic models capable of accurately predicting solvation energies, accounting for the temperature dependency of this property, and which are fast and robust. Within this framework, we compared two COSMO-based continuum solvation models (COSMO-RS and COSMO-SAC-dsp) with two versions of predictive cubic equations of state well-acknowledged for their efficiency (PSRK and UMR-PRU). For this purpose, a large experimental set of 65,000 datapoints extracted from the COMPSOL databank was considered. Comparisons between computed and experimental data were performed for Gibbs solvation energy and, for the first time in the literature, for both entropy and enthalpy of solvation simultaneously. For simpler binary mixtures, in which hydrogen bonding does not take place, all models were capable of providing accurate predictions, with average absolute deviations below 0.3 kcal/mol regarding the solvation Gibbs energy. For more complex associating mixtures, COSMO-RS showed the best correlation between experimental and calculated data, especially for aqueous systems; among EoS, it is observed that the PSRK model offers the best accuracy.

Published
2022

49. Formation et évolution des aérosols dans l’atmosphère de Titan

Author

Biennier, Ludovic, Carles, Sophie, Mortada, Ahmad, Demes, S., Lique, Francois, Joalland, Baptiste, Lavvas, P., Calvo, Florent, Bourgalais, Jérémy, Carrasco, Nathalie, Institut de Physique de Rennes (IPR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), Groupe de spectrométrie moléculaire et atmosphérique (GSMA), Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères] (LIPhy ), Centre National de la Recherche Scientifique (CNRS)-Université Grenoble Alpes (UGA), Laboratoire Réactions et Génie des Procédés (LRGP), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), PLANETO - LATMOS, Laboratoire Atmosphères, Milieux, Observations Spatiales (LATMOS), Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Institut national des sciences de l'Univers (INSU - CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)-Université de Versailles Saint-Quentin-en-Yvelines (UVSQ)-Institut national des sciences de l'Univers (INSU - CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), and Biennier, Ludovic

Subjects
[PHYS]Physics [physics], [PHYS.ASTR.IM]Physics [physics]/Astrophysics [astro-ph]/Instrumentation and Methods for Astrophysic [astro-ph.IM], [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], [PHYS.ASTR.IM] Physics [physics]/Astrophysics [astro-ph]/Instrumentation and Methods for Astrophysic [astro-ph.IM], Molecular physics, [PHYS] Physics [physics], [PHYS.PHYS.PHYS-CHEM-PH] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
Abstract

National audience; Les observations effectuées par les instruments embarqués à bord de l’orbiteur Cassini montrent que la croissance moléculaire mise en évidence dans l’ionosphère de Titan mène à la formation d’aérosols. Des études récentes de la physico-chimie de cette couche de l’atmosphère ont établi que les ions lourds positifs et négatifs détectés par spectrométrie de masse sont des embryons d’aérosols.En dépit de ces avancées, de nombreuses interrogations demeurent. Un des objectifs des travaux menés consiste à comprendre le rôle exact des ions dans la formation des aérosols en examinant les collisions élémentaires à l’aide d’un réacteur produisant un écoulement supersonique uniforme couplé à une source sélective d’ions (CRESU-SIS). De façon complémentaire, un autre objectif consiste à simuler la croissance des ions dans un réacteur plasma (PAMPRE) ou photochimique (APSIS) et à comparer les produits ionisés avec les spectres mesurés par les instruments INMS et CAPS-ELS embarqués à bord de Cassini.Pour mener à bien ces études, nous associons modélisateurs, physico-chimistes expérimentateurs et théoriciens. Il est clair en effet que la compréhension de la photochimie des atmosphères planétaires froides, en particulier celle de Titan, passe par l’identification des processus clés ainsi que par l'obtention théorique et expérimentale d'un grand nombre de données fiables et sur les réactions et processus physico-chimiques à très basses températures (< 200 K) et leur utilisation dans des modèles photochimiques atmosphériques réalistes.

Published
2022

50. Exp'Eau, a hybrid serious game to explore pathways towards better water quality in rural catchments

Author

Barreteau, Olivier, Charpentier, Isabelle, Elouati, Hossam, Kelhetter, Hugo, Kudriashov, Daniil, Blanchoud, Hélène, Bonnefond, Mathieu, Dousset, Sylvie, Gouy, Véronique, Piscart, Christophe, Pons, Marie-Noëlle, Ragueneau, Olivier, Salvador-Blanes, Sébastien, Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE), Laboratoire des sciences de l'ingénieur, de l'informatique et de l'imagerie (ICube), École Nationale du Génie de l'Eau et de l'Environnement de Strasbourg (ENGEES)-Université de Strasbourg (UNISTRA)-Institut National des Sciences Appliquées - Strasbourg (INSA Strasbourg), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Institut National de Recherche en Informatique et en Automatique (Inria)-Les Hôpitaux Universitaires de Strasbourg (HUS)-Centre National de la Recherche Scientifique (CNRS)-Matériaux et Nanosciences Grand-Est (MNGE), Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Institut National de la Santé et de la Recherche Médicale (INSERM)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Réseau nanophotonique et optique, Université de Strasbourg (UNISTRA)-Université de Haute-Alsace (UHA) Mulhouse - Colmar (Université de Haute-Alsace (UHA))-Centre National de la Recherche Scientifique (CNRS)-Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS), LTSER-FR Zone Atelier Enviironnementale Urbaine (LTSER-FR ZAEU), Milieux Environnementaux, Transferts et Interactions dans les hydrosystèmes et les Sols (METIS), École Pratique des Hautes Études (EPHE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut national des sciences de l'Univers (INSU - CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), LTSER-FR Zone Atelier Seine, Laboratoire Géomatique et foncier (GeF), Conservatoire National des Arts et Métiers [CNAM] (CNAM), HESAM Université - Communauté d'universités et d'établissements Hautes écoles Sorbonne Arts et métiers université (HESAM)-HESAM Université - Communauté d'universités et d'établissements Hautes écoles Sorbonne Arts et métiers université (HESAM), Laboratoire Interdisciplinaire des Environnements Continentaux (LIEC), Institut Ecologie et Environnement (INEE), Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Terre et Environnement de Lorraine (OTELo), Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Zone Atelier du Bassin de la Moselle [LTSER France] (ZAM), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), LTSER-FR Zone Atelier Rhône, Ecosystèmes, biodiversité, évolution [Rennes] (ECOBIO), Université de Rennes (UR)-Institut Ecologie et Environnement (INEE), Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS)-Observatoire des Sciences de l'Univers de Rennes (OSUR), Université de Rennes (UR)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Rennes 2 (UR2)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Rennes 2 (UR2)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Centre National de la Recherche Scientifique (CNRS), LTSER Zone Atelier Armorique (LTSER), Laboratoire Réactions et Génie des Procédés (LRGP), Laboratoire des Sciences de l'Environnement Marin (LEMAR) (LEMAR), Institut de Recherche pour le Développement (IRD)-Institut Français de Recherche pour l'Exploitation de la Mer (IFREMER)-Université de Brest (UBO)-Institut Universitaire Européen de la Mer (IUEM), Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Brest (UBO)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Université de Brest (UBO)-Centre National de la Recherche Scientifique (CNRS)-Centre National de la Recherche Scientifique (CNRS), LTSER-FR Zone Atelier Brest Iroise, GéoHydrosystèmes COntinentaux (GéHCO EA6293), Université de Tours (UT), and LTER France, LTSER Zone Atelier Loire

Subjects
[SDE.ES]Environmental Sciences/Environmental and Society
Abstract

International audience; Agriculture is considered today as having major impacts on water quality in river basins. Transitionfrom this situation to a better integration of agricultural practices in their environment is sought bymany stakeholders and policy makers, from water, land development and also agriculture sectors.This appears costly when incorporating their various constraints. With the on-going research projectExpEau, the LTSER-FR network aims at (1) raising awareness on the opportunities to handleagricultural sources of water pollution collectively, and (2) comparing them in various watersheds.To that end, we are developing a hybrid serious game featuring activities and relations betweenfarmers, municipalities and river basin organization on a virtual river basin, generated from actualdatasets for topography, soil properties, and climate. For comparison sake, the game features aframed number of entities and possibilities of action, and the process of transforming actual datasetsis standardized. We consider representative small basins (ca. 100 km2) that we discretize into threesub-basins, each of them representing a municipality as the first level for collaboration. Each subbasin counts about 30 hexagons elementary tiles with a single land use for each.In practice, the game is made of a physical board and playing action cards, as well as a twin on-lineversion. Farmer players access to the information on their environment and choose cultural practicesthanks to a smartphone. Municipality and river basin organisation roles use their time and budget tofacilitate collaboration and support more virtuous practices as well as infrastructures to decreasepollution. A local server computes the impacts of these actions in terms of production, collective well-being and contamination, and updates the players’ data.During the game session, players can see the virtual watershed, the land use and the infrastructureson the physical board. According to their role, they receive situated information on production, onterritorial well-being and water quality and quantity.Involving students or local stakeholders, each session is followed by a debriefing that could produce(1) a local understanding on the interactions between agriculture and water quality, and (2) socio-ecosystem data to feed a cross LTSER analysis of these interactions.

Published
2022

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