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The glycerol oxidation reaction was developed leading to selective catalysts and optimum conditions for the production of carboxylic acids such as glycolic acid. However, carboxylic acids are produced in highly diluted mixtures, challenging the recovery and purification, and resulting in high production costs, polymerization, and thermal degradation of some of the products. The protection of the acid function by esterification reaction is one of the most promising alternatives through reactive distillation (RD); this technique allows simultaneously the recovery of carboxylic acids and the elimination of most part of the water. The reactive distillation, experimental and simulation, of glycolic acid was performed, based on kinetic and thermodynamic models developed. For the thermodynamic model, binary parameters of the missing couples were determined experimentally, and the non-random two-liquid (NRTL) model was selected as the most suitable to represent the binary behavior. The kinetic study of the esterification in the presence of homogeneous and heterogeneous catalysis concluded that the heterogeneous reaction can be accurately described either by a pseudo-homogeneous model or the Langmuir–Hinshelwood (L-H) adsorption model. Reactive distillation was conducted in a distillation column filled with random packing sulfonated ion-exchange resin, Nafion NR50®, or with extruded TiO2-Wox. The conversion rate of glycolic acid in reactive distillation increases from 14% without catalyst to 30% and 36% using Nafion NR50® and TiO2-Wox, respectively. As opposed to the batch reactor study, the conversion rate of glycolic acid was better with TiO2-Wox than with sulfonated ion-exchange resin. The better performance was related to an increase in the hydrodynamics inside the column. Tests using water in the feed confirm the hypothesis by increasing the conversion rate because of the decrease in the mass transfer resistance by reducing the average diffusion coefficient. The simulation of the reactive distillation column with ProSim® Plus showed that the yield of the ester increased operating at a low feed rate with reactive stripping. In the presence of water in the feed, nonreactive stages are required, including an enrichment region to separate water vapor.

Because of the depletion of fossil fuels and associated environmental problems, the biotechnological production of 1-butanol used as a gasoline blend is of renewed interest. Biobutanol from biomass...

International audience; As the most promising biomass utilization method, biomass gasification is gaining attention as a route for biomass energy production, but the syngas generated from the process contains unacceptable levels of tar. The syngas in reality leads to a liquid–liquid–vapor equilibrium. This syngas becomes saturated with water steam, solvent, and trace of volatile tar. The aim of this work is to study the liquid–(liquid)–vapor equilibrium of extracting solvents (P-xylene, methyl hexadecanoate, and methyl oleate), binary systems (water + solvents), and ternary systems (water + methyl hexadecanoate + model molecule of tar) and to determine the vapor pressure for those systems from 303.15 to 453.15 K. Vaporization enthalpies of each solvent at 298.15 K are also calculated and compared to the literature. The obtained data were correlated using the nonrandom two-liquid (NRTL) model for the liquid phase combined with the perfect gas equation for the vapor phase.

International audience; An experimental and theoretical study was undertaken for three ether glycols (mixtures of isomers). The present paper, being the first part of a complex study, reports the experimental part of the study using a static apparatus, namely, the vapor-liquid equilibria of dipropylene glycol methyl ether (DPM), dipropylene glycol n-butyl ether (DPnB), and propylene glycol n-butyl ether (PnB), and the vapor-liquid equilibria of their pseudo-binary mixtures composed of (PnB + DPM), (DPM + DPnB), (PnB + DPnB), and the aqueous solutions of each ether. The explored temperature range is between 283.15 and 363.15 K. The experimental points were fitted using the Antoine equation. No literature data was found for comparison. The aim of this paper is not only to provide the obtained experimental data but also to highlight the eventual challenges when working with very low vapor pressure compounds and mixtures. The second part is related to a theoretical study with the development of a thermodynamic model for the representation of the experimental data.

The aqueous solubilities, the octanol-water partition coefficients and the vapor pressures of two food contaminants (dimethyl phthalate-DMP and butyl benzyl phthalate-BBP) have been determined in this work. The aqueous solubility measured by the dynamic saturation method [298.15–328.15 K] were in the order of 10−4 mol fraction for DMP and 10−7 for BBP. The octanol-water partition coefficient is measured by using the ‘shake-flask’ method at 298.15 K. It is found that the BBP molecule is highly hydrophobic. The vapor pressure measurements carried out with the dynamic gas saturation method between 313.15 and 423.15 K, were validated with DMP vapor pressure measurements by using a static apparatus. The vapor pressures of DMP ranged from 1.4 to 1668 Pa for temperatures between 313.15 and 423.15 K, while BBP exhibits lower vapor pressures ranging from 0.014 Pa at 343.15 K to 24 Pa at 423.15 K. The experimental data determined in this work are compared with calculated properties issued from different thermodynamic models (UNIFAC, UNIQUAC, NRTL, COSMO-SAC dsp). It is found that the UNIQUAC and NRTL models can well describe the experimental aqueous solubility, while larger deviations were found for UNIFAC and COSMO-Sac dsp. The COSMO-SAC dsp model can better predict the octanol-water partition coefficient of the studied molecules than the UNIFAC model.

The vapour pressures of the pure components 3,3-diamino-N-methyldipropylamine (DNM) and N,N,N′,N′′,N′′-pentamethyldiethylenetriamine (PMDETA) along with the binary mixtures (DNM + water) and (PMDETA + water) were measured by means of a static apparatus at temperatures between (283 and 363) K. The data were correlated with the Antoine equation. From these data, excess Gibbs functions (GE) were calculated for several constant temperatures and fitted to four order Redlich-Kister equation using the Barker method. The binary system (DNM + water) exhibits negative deviations in GE values calculated from the vapour pressure data for all investigated temperatures and over the whole composition range. The (PMDETA + water) binary mixture shows a sinusoidal shape for GE at 283.15 K

International audience; In this work, we have reported the vapor liquid equilibria (VLE) data for the binary mixtures containing {2-(2-ethoxyethoxy)ethanol (1) + 1-propanol, 2-propanol, 1-butanol, or 2-butanol (2)}. All the VLE measurements were conducted at temperatures ranging between (273.15 to 363.15) K over the whole composition range. The NRTL and UNIQUAC models were used to correlate the VLE experimental data. Furthermore, experimental measurements of densities, sound velocities, and refractive indices were measured for aforementioned binary mixtures at atmospheric pressure and at T = (293.15, 303.15, 313.15, and 323.15) K. By utilizing the experimental results, the excess/deviation functions were calculated and fitted to the Redlich–Kister polynomial equation.

International audience; A series of novel borosilicate ionomer glasses composed of varying amount of SiO2–B2O3–K2OeCaO–Al2O3 wereinvestigated. The influence of the thermal treatment was evaluated in terms of ion release and glass microstructure.Inductively coupled plasma optical emission spectrometry (ICP-OES) and scanning electron microscopy(SEM) were the main analytical techniques used in this study. The results show that all the glasses sampleswere amorphous according to the XRD and the SEM results before and after the heat-treatment. However, whilstthe as-quenched samples appeared consistently transparent and colourless, the thermal treatment at 700 °C for20 h induced some of the samples to turn opalescent. The ion concentration profiles suggest that the dissolutionrate of Ca and B were enhanced by the heat treatment in all cases. Moreover, it was confirmed that differentleaching rates exist between the opal and clear samples

Energy, fuel and chemical production like syngas from biomass is increasingly attracting interest in the world, with increasing potential to replace conventional fossil fuels in the energy market. Biomass gasification has been studied widely as an efficient and sustainable technology for the syngas production. Thus, raw syngas contains a significant quantities of undesirable impurities known as syngas contaminants, especially tar which can cause major problems to the gasification process; therefore it is crucial to eliminate the generated tar in this process by one of the most promising method “the tar scrubbing oil” using a suitable extracting solvent. With this aim, an experimental study of the liquid–liquid equilibrium of the ternary systems of water + solvent (methyl oleate-biodiesel solvent) + model mixtures of tar (naphthalene, phenanthrene and anthracene) that are presented in the raw syngas was conducted at 303.2 K, 323.2 K and 343.2 K. Due to the low solubility of the studied model molecule of tars in the aqueous phase, an extraction of these analytes (naphthalene, phenanthrene and anthracene) from the aqueous phase was performed by an auxiliary solvent (dichloromethane), in which was dissolved an internal standard (hexadecane) before analysis in the GC–MS using the internal standard technique. A control analysis was systematically performed in order to ensure that all of the solute was extracted from the aqueous phase. As for the analysis of the organic phase, it was carried out in the GC–MS using the internal standard technique without any prior extraction. Coulometric Karl Fischer (KF) titration was used to quantify water in the organic phase. Partition coefficient and selectivity of the biodiesel solvent were also discussed. This work is followed by a modeling study of the same systems using the nonrandom two-liquid (NRTL) and UNIQUAC (universal quasichemical) models.

Isothermal vapor–liquid equilibria (VLE) are measured for three binary systems containing cyclic ethers: 1,3-dioxolane, 1,4-dioxane, or tetrahydropyran in mixture with 1,2-dichloroethane at 10 temperatures ranging from 273.15 to 353.15 K. A laboratory apparatus using the static method was employed to carry out the vapor pressures of the pure components and the mixtures. The VLE data were reduced by the Redlich–Kister equation and used to calculate activity coefficients then excess molar Gibbs free energies GE. The nonideality of the vapor pressure was considered in terms of the second molar virial coefficient. Both the mixtures formed by tetrahydropyran or 1,3-dioxolane with 1,2-dichloroethane show a minimum boiling point azeotrope. The experimental data were compared with the results provided for the modified UNIFAC (Do) and the DISQUAC models.

The vapor pressures of two binary systems ethyl dodecanoate (1) + n-dodecane (2) and ethyl octanoate (1) + n-dodecane (2), were measured by means of a static apparatus at temperatures between 373.15 K and 453.15 K. The data were correlated with the Antoine equation. From these data, the molar excess Gibbs energies GE were obtained with Barker’s method and fitted to the Redlich-Kister equation. The binary mixture (ethyl octanoate (1) + n-dodecane (2)) exhibits maximum azeotropic behavior. Positive values of the excess Gibbs energy are obtained for all the investigated constant temperatures and over the whole composition range. The data were also correlated by using Wilson equation and good results were obtained in the prediction of the total pressure and thermodynamic excess properties; however deviations were observed with respect to the experimental and predicted GE, using modified UNIFAC (Dortmund) group contribution model. Additionally, the NRTL model was applied to regress the experimental GE. The investigated systems were successfully represented by the NRTL model.

In this work, we studied the aqueous solubility, vapor pressures of dibutylphthalate (DBP) and di-isobutylphthalate (DIBP) as a function of temperature between 298.15 and 328.15 K and between 313.15 and 423.15 K respectively. The octanol-water partition coefficient was measured at 298.15 K using shake-flask method. For aqueous solubility, measurements were carried out using the dynamic saturation method and values ranges in 10−7 mol fraction with a relative higher solubility for DIBP regarding DBP. Solubility results are in good agreement with the octanol-water partition coefficient measurement showing that DBP is more hydrophobic than its isomer DIBP. For vapor pressure, after an interlaboratory validation step using static method performed with DBP in a temperature range between 381 and 421 K, measurements for both compounds DBP and DIBP using the gas saturation method presented a standard relative deviation lower than 2% and values ranged from 10−2 and 102 Pa. By combining vapor pressure and solubility results, we calculated Henry's law constant and air-water partition coefficient and showed an important deviation between the two isomers even at low temperature.

International audience; Biomass is known as a potential renewable energy source which can be used in the gasification process in order to produce biomethane gas. One of the major challenges encountered is the elimination of the high level of tar found in the syngas issued from the gasification process. The main purpose of this work is to conduct experimental measurements of liquid–liquid equilibria that will be used for tar removal from the biomass gasification process which is the important step before the distribution and the industrialization of the biomethane gas. In the present work, we propose an experimental and modeling study of liquid–liquid equilibrium of ternary systems of water + solvent (methyl oleate) + model molecules of tar (benzene, toluene, phenol, thiophene, and pyridine) at 303.2 K, 323.2 K, and 343.2 K. The experimental results were correlated using the nonrandom two-liquid (NRTL) and UNIQUAC models and are used to feed the industrial needs for thermodynamic modeling.

International audience; The success achieved by the COP21 in Paris in 2015 by committing 195 states to reduce the temperature of the planet, shows that it is urgent to find a solution to greenhouse gas emissions especially the CO2. Monoethanolamine (MEA) in aqueous solution is the reference solvent to capture CO2 emission based on chemical absorption. However, aqueous solutions present some drawbacks, such as equipment corrosion, loss of solvent and high energy consumption. New and green solvents could be a possible solution to this issue. As part of this study, new experimental data on the solubility of carbon dioxide in monoethanolamine, MEA or diethanolamine DEA or methyldiethanolamine MDEA 30 wt%, dissolved in greener and nontoxic deep eutectic solvent (DES) made of choline chloride (ChCl) and ethylene glycol (EG) with a molar ratio of 1:2 are reported. Measurements were performed at three different temperatures; 298.1, 313.1 and 333.1 K and pressures from 2 Pa up to 800kPa using astatic apparatus with on-line analysis of the gas phase by GC to determine the partial pressure of CO2.The dissolved CO2 in the liquid was determined by volumetric method. In a first step, the apparatus and the entire CO2 isotherm determination protocol were validated by the study of CO2 absorption in aqueous solution of MEA(reference amine).As no literature data was available, the solubilities of CO2 in the DES/amine were compared with those obtained from the aqueous media. The two set of measurements are very close. Gabrielsen et al.[44] model of correlation based on the equilibrium constant, initially used for aqueous amine solutions, has been successfully extended to CO2 capture by nonaqueous solutions. Comparison of heat of absorption values between aqueous amines and in the DES was also investigated. To the best of our knowledge, this is the first time CO2 isotherms of three classes of amine dissolved in the DES (choline chloride /ethylene glycol) was studied.

The vapor pressures of three binary systems ethyl hexanoate (1) + n-dodecane (2), ethyl decanoate (1) + n-dodecane (2) and ethyl tetradecanoate (1) + n-dodecane (2) were measured by means of a static apparatus at temperatures between 373.15 and 453.15 K. The data were correlated with the Antoine equation. From these data, the molar excess Gibbs energies G E were obtained with Barker’s method and fitted to the Redlich–Kister equation. The excess Gibbs energy is positive for all the investigated constant temperatures and over the whole composition range. The Wilson equation was used and good results were obtained in the prediction of the total pressure and thermodynamic excess properties; however, deviations were observed with respect to the experimental and predicted G E, using UNIFAC (Dortmund) group contribution model.

International audience; The vapor pressures of the pure components 3-aminopropylmethylamine (MAPA), 3-aminopropyldimethylamine (DMAPA) and N,N-diethyl 1,3-propanediamine (DEAPA) along with the binary mixtures (MAPA + water), (DMAPA + water) and (DEAPA + water) were measured by means of a static apparatus at temperatures between (273 and 363) K. The data were correlated with the Antoine equation. From these data, excess Gibbs functions (GE) were calculated for several constant temperatures, and fitted to a three parameters Redlich–Kister equation using the Barker’s method. Additionally, the NRTL and UNIQUAC models have been used for the correlation of the total pressure.

International audience; New solubility data of binary and ternary systems involving ethylene glycol (or MEG), water and n-alkanes (hexane, heptane, octane, nonane, undecane, dodecane and hexadecane) under atmospheric pressure at three temperatures 283.15, 303.15 and 333.15 K are reported. The reported values are original except for binary systems where some points were found in the literature for comparison. The non-random two-liquid (NRTL) were used to correlate the experimental data of the binary mixtures. The interaction parameters obtained with the experimental binary systems were used to predict the ternary systems.

International audience

The aim of this study was to assess the influence of CaO/Na2O ratio on the structural and textural properties of mesoporous bioactive glasses generated from an acetic acid catalysed acetate based sol-gel system. The glass network formers (SiO2 and P2O5) were fixed and the network modifiers were varied [75SiO2:XCaO:(15-X)Na2O:10P2O5 where X = 5, 10, 15, in mole percent] such that increasing alkaline earth oxide is compensated by decreasing alkali oxide. The glass properties were assessed using techniques such as XRF, XRD, FTIR, BET/BJH, SEM, TEM and ICP. The rapid gelling of the sol resulted in the deposition of the calcium and sodium acetate precursors on the particle surface which required thermal treatment to facilitate their entry into the glass network. The results of our study demonstrated that the porosity was clearly driven by CaO in the composition possibly due to its inferior fluxing effect in comparison to Na2O. The sample with highest CaO content reached a high surface area and pore volume (535 m2 g−1 and 0.33 cm3 g−1) even in a non-surfactant based preparation suggesting that acetic acid catalysed acetate system favours improved textural properties. In vitro SBF tests confirmed the potential of the sample with highest CaO for earlier apatite formation.

International audience; The vapor pressures of (1,3-pentanediamine + water), or (1,5-diamino-2-methylpentane + water) binary mixtures, and of pure 1,3-pentanediamine or 1,5-diamino-2-methylpentane components were measured by means of a static device at temperatures between (273 and 363) K. The data were correlated with the Antoine equation. From these data excess Gibbs functions (GE) were calculated for several constant temperatures and fitted to a three order Redlich–Kister equation using the Barker’s method. The (1,3-pentanediamine + water) or (1,5-diamino-2-methylpentane + water) binary systems exhibit negative deviations in GE for all investigated temperatures over the whole composition. Additionally, the NRTL UNIQUAC and Modified UNIFAC (Do) models have been used for the correlation or prediction of the total pressure.

International audience; Isothermal vapor pressures of three binary systems, methyl dodecanoate (1) + n-tetradecane (2); methyl tetradecanoate (1) + n-tetradecane (2); and methyl hexadecanoate (1) + n-tetradecane (2), were measured by means of a static apparatus at temperatures between 353.15 and 453.15 K. The data of the pure components were correlated by the Antoine equation. A maximum azeotropic behavior is observed for the binary mixture, methyl dodecanoate (1) + n-tetradecane (2). The molar excess Gibbs energies GE were deduced from Barker’s method by fitting the experimental points through Redlich–Kister equation. The NRTL and UNIQUAC models were applied to regress the experimental vapor liquid equilibrium (VLE). The investigated systems were successfully represented by the two models.

International audience; To prevent gas hydrate formation and the plugging of the pipe, monoethylene glycol, MEG, is injected into the wellhead. To develop the thermodynamic model for the optimization of MEG injection, liquid–liquid equilibrium, LLE, studies are necessary. In the present work, original data are presented of binary, ternary, and quaternary systems involving MEG, water, hexane, octane, toluene, and p-xylene under atmospheric pressure and in the temperature range between 278.15 and 333.15 K. The NRTL thermodynamic model was used for the solubility prediction of binary, ternary, and quaternary systems. The adjustable parameters of the model were determined through regression of binary mixtures data from literature. Experimental and predicted solubilities are in a quite good agreement, in view of the low solubility data involved in the different systems.

Nowadays attention is focused on biomass as a renewable energy source, but still one of the remaining drawbacks to be solved is the elimination of the high level of tar present in the syngas from the gasification process of the biomass. The objective of this work is to perform experimental measurements of liquid–liquid equilibria that will be used for the operation of tar removal from the gasification process. With this aim, the liquid–liquid equilibrium of water + solvent (p-xylene or methyl hexadecanoate) + model molecules of tar (thiophene, or pyridine, or naphthalene, or phenanthrene, or anthracene) were studied at 303.2, 323.2, and 343.2 K. The obtained data were correlated with the nonrandom two-liquid and universal quasi-chemical models.

To determine the octanol–water partition coefficient (log Kow or log D), a microfluidic method is developed to reduce time and coast of analyze. A double Y serpentine microfluidic chip is fabricated used soft lithography facilities. To generate a biphasic parallel flow, hydrophilic microchannels walls are generated by oxygen plasma treatment. Epifluorescence microscopy is used to measure the intensity of fluorescence molecules in microchannel. Using microfluidic parallel diluter this intensity show a strong linear correlation with molecule concentration in solution. The equilibrium between phases is reached in less than 5 s. To validate this microsystem, we have determined the log D of fluorescein natrium molecule. The obtained results compare well with previous measurements using traditional shake-flask or microfluidic drops flow methods, with a relative difference to the literature less than 3%. Rapid microfluidic partition coefficient determination is useful for studying liquid–liquid partition of organic pollutant.

International audience; In this work (vapour + liquid) equilibrium (VLE) measurements were performed on binary systems of the ionic liquid 1-ethyl-3-methylimidazolium thiocynate [EMIM][SCN] with thiophene or pyridine at pressures close to the atmospheric pressure using a static device at temperatures between 273 K and 363 K. Experimental data were correlated by the PC-SAFT EoS. The binary interaction parameters kij were optimised on experimental VLE data. The results obtained for the two binary mixtures studied in this paper indicate that the PC-SAFT EoS can be used to represent systems containing ionic liquids.

International audience; Solubility of carbon dioxide (CO2) acid gas in aqueous solutions in 2.5 mol/l tertiary amines, such as 2-(2-(dimethylamino) ethoxy) ethanol [DMAEOE], 3-dimethyl amino-1-propanol [DiMAP], 1,2-bis (dimethyl amino) ethane [TEMED], pyridine and methyl-4-morpholine has been measured at [313 and 353] K, and over the pressure range (0-200) kPa, using a specifically built apparatus based on the static method. The vapor pressures and the densities of these aqueous solutions, also, have been measured by a static method and picnometry, respectively. For validation of the experimental procedure, solubility of acid gas CO2 in 2.5 mol/l aqueous solutions of mono-ethanolamine (MEA) and 2-amino-2-methyl-1-propanol (AMP) has been measured at 313.15 K. The experimental solubility results are presented in the form of the partial pressure of CO2 versus the mole ratio α (mol CO2/mol amine), at each temperature. The solubility of gas CO2, in all the investigated aqueous amines, decreases with an increase of the temperature and increases with increasing partial pressure of CO2 gas at a given temperature. The values of the solubility of CO2 gas are in the following sequence: Pyridine < Methyl morpholine < DMAEOE < TEMED < DiMAP.

International audience; Vapor pressures of six saturated Fatty Acid Methyl Esters (FAMEs), methyl hexanoate (or methyl caproate), methyl octanoate (or methyl caprylate), Methyl decanoate (or methyl caprate), methyl dodecanoate (or methyl laurate), methyl tetradecanoate (or methyl myristate), and methyl hexadecanoate (or methyl palmitate) were measured from 1 Pa to 100 kPa and at temperature range between 262 and 453 K using a static apparatus. The experimental data (P-T) were compared with the available literature data.

Health and welfare of population are priority reasons to study the toxic effects of chemical pollutants. These effects can directly produce deterioration of health or can cause less healthful environment toxicity and restricting food production. Thereby, preventing such a consequence is important for human health risk assessment. In recent times, the use of recycled materials for packaging has undeniably been intensified. Nevertheless, recycling systems could not effectively eliminate the potential effect of chemical pollutants (alkyl phenol, phthalates, aldehydes, etc.) existent in such packages. The migration process and/or the ability of these pollutants to be absorbed into the recycled material, subsequently released by the packaging material, and then trapped by the matrices they contain, has become a potential source of exposure to consumers. This process is controlled by the nature of the packaging, time, temperature, and the physicochemical properties of the contaminant. The literature suffers from a lack of data related to the physicochemical (aqueous solubility, vapor pressure, Henry’s constant, etc...) of these contaminants. In this work, we are going to describe the experimental devices used for aqueous solubility, vapor pressure and octanol/water partition coefficient determination.

International audience; The vapor pressures of (4-ethylmorpholine + water), (1,2-dimethylisopropylamine + water), (N,N-dimetylethanolamine + water) binary mixtures, and of pure 4-ethylmorpholine, 1,2-dimethylisopropylamine and N,N-dimethylethanolamine components were measured by means of two static devices at temperatures between {273 (or 283) and 333 (or 363)} K. The data were correlated with the Antoine equation. From these data excess Gibbs functions (GE) were calculated for several constant temperatures and fitted to a fourth-order Redlich-Kister equation using the Barker's method. The (4-ethylmorpholine + water), and (1,2-dimethylisopropylamine + water) binary systems show positive azeotropic behavior. The aqueous solutions of 4-ethylmorpholine and 1,2-dimethylisopropylamine exhibit positive deviations in GE for all investigated temperatures over the whole composition, where the aqueous solution of N,N-dimetyhlethanolamine show a S shape for GE for (273.15 < T < 313.15) K. Additionally, the Wilson, NRTL or UNIQUAC models have been used and quite good results were obtained in the prediction of the total pressure.

International audience; The vapor pressures of three binary systems, (ethyl hexanoate (1) + n-tetradecane (2)), (ethyl decanoate (1) + n-tetradecane (2)), and (ethyl tetradecanoate (1) + n-tetradecane (2)), were measured by means of a static apparatus at temperatures between (373.15 and 453.15) K. We correlated the data with the Antoine equation. The molar excess Gibbs energies G(E) obtained from these data by using Barker's method were fitted to the Redlich-Kister equation. A maximum azeotropic behavior is observed for the binary mixture {ethyl decanoate (I) + n-tetradecane (2)}. Positive values of the excess Gibbs energy are obtained for all of the investigated temperatures and compositions. The data were also correlated by using Wilson equation. The predicted G(E) obtained by using group contribution model, UNIFAC (Gmehling version), are different to the experimental values. These deviations are more important for systems {ethyl decanoate (1) + n-tetradecane (2)} and {ethyl tetradecanoate (1) + n-tetradecane (2)}.

International audience; In this work, vapor liquid equilibria (VLE) data for the binary systems containing {water or methanol (1) + 1,3-propanediol (2)} are reported. All measurements were performed in the temperature range of (273.15–343.15 (or 363.15)) K over the whole composition range. The experimental data were correlated using the NRTL, UNIQUAC and Modified UNIFAC (Do) models. Additionally, the experimental measurements of densities and sound velocities were measured for binary systems (water or methanol or ethanol (1) + 1,3-propanediol (2)) at atmospheric pressure and at (283.15, 293.15, 303.15 and 313.15) K. The excess/deviation functions were calculated and correlated using the Redlich-Kister polynomial equation.

International audience; Original very low solubility data for binary (methanol + dodecane) and ternary systems (methanol/water + hexane, or octane, or dodecane, or hexadecane) under atmospheric pressure at three temperatures between 283.15 and 333.15 K are reported. The experimental values were compared with literature data when available. Two models (NRTL and UNIQUAC) were used to correlate and predict the experimental data.

International audience; Vapor pressures of pure and aqueous diethylenetriamine (DETA) and dipropylenetriamine (DPTA) were measured by means of a static apparatus at temperatures between (283 and 363) K. The data were correlated with the Antoine equation and fitted to Redlich–Kister equation using Barker's method. Additionally, the NRTL, UNIQUAC models were used to correlate total pressures.

International audience; The determination of the physical properties of pure water, especially the vapor-pressure curve of water, is one of the major issues identified by the Consultative Committee for Thermometry of the International Committee for Weights and Measures (CIPM) to improve the accuracy of the national references in humidity. At the present time the saturation-pressure data, corresponding to ice or liquid-vapor equilibrium, at low temperature are scarce and unreliable. This study presents new measurements of vapor and sublimation pressures of, respectively, water and ice, using a static apparatus. Prior to saturation-pressure measurements, the temperature and pressure sensors of the static apparatus were calibrated against reference gauges in use at the LNE-CETIAT laboratories. The effect of thermal transpiration has been studied. The explored temperature range lies between 250 K and 374 K, and the pressure range between 70 Pa and 10(5) Pa. An automatic data acquisition program was developed to monitor the pressure and temperature. The obtained results have been compared with available literature data. The preliminary uncertainty budget took into account several components: pressure measurements, temperature measurements, and environmental error sources such as thermal transpiration and hydrostatic correction.

International audience; The vapor-liquid equilibria of the pure components, 2,5-dimethyl furan (DMF), 1-butanol, 2-butanol, and 1-hexanol along with the binary mixtures (2,5-dimethyl furan + 1-butanol), (2,5-dimethyl furan + 2-butanol), and (2,5-dimethyl furan + 1-hexanol) were investigated experimentally by means of a static apparatus at temperatures between 313 and 393 K. The vapor pressures of the pure components were correlated with the Antoine equation. The experimental data of the mixtures were reduced by Barker method using a third-order Redlich-Kister equation. The calculated excess Gibbs functions, GE, exhibit positive deviations for all investigated temperatures and over the whole composition range. The NRTL and UNIQUAC models have also been used and good results were obtained in the prediction of the total pressure. Highlights Vapor pressures of 2,5-dimethyl furan + 1-butanol, + 2-butanol or +1-hexanol. The investigated temperatures are 313 K and 393 K. (2,5-dimethyl furan + 1-hexanol) system shows maximum azeotropic behavior. The three binary systems exhibit positive deviations in GE. The NRTL, UNIQUAC and UNIFAC models have been used.

International audience; The vapour pressures of (sec-butylamine + water), (cyclohexylamine + water) binary mixtures, and of pure sec-butylamine and cyclohexylamine components were measured by means of two static devices at temperatures between 293 (or 273) K and 363 K. The data were correlated with the Antoine equation. From these data, excess Gibbs functions (GE) were calculated for several constant temperatures and fitted to a fourth-order Redlich-Kister equation using the Barker's method. The (cyclohexylamine + water) system shows positive azeotropic behaviour for all investigated temperatures. The two binary mixtures exhibit positive deviations in GE for all investigated temperatures over the whole composition range. Highlights Vapour pressures of sec-butylamine or cyclohexylamine and their aqueous solutions. The investigated temperatures are 273 K and 363 K. The (cyclohexylamine + water) mixture shows positive azeotropic behaviour. The (sec-butylamine + water) or (cyclohexylamine + water) exhibit positive GE.

International audience; The aim of this work is to present new vapor-pressure measurements and provide a good description of the volumetric and phase behavior of dipentaerythritol ester (DiPEs) lubricants, using the Statistical Associating Fluid Theory (SAFT) model (PC-SAFT and SAFT-VR versions). Characteristic parameters of these versions were optimized for dipentaerythritol hexapentanoate (DiPECS), dipentaerythritol hexaheptanoate (DiPEC7), and dipentaerythritol isononanoate (DiPEiC9), using experimental vapor pressures and densities. With these parameters, compressed densities were predicted. Experimental vapor pressures, determined by a gas saturation apparatus, range between 2 x 10(-5) Pa and 16 Pa, whereas the absolute deviations obtained in the correlations for both versions of the model (PC-SAFT and SAFT-VR) are between 10(-6) Pa and 1 Pa. In the case of saturated densities, the average absolute deviation (AAD) values, for both models, range from 0.2% to 1.3%, except for DiPEC7, where the AAD is 4.4% when using the SAFT-VR model. The SAFT-VR version gives slightly better correlations, although we must note that this version has four parameters, whereas the PC-SAFT version has three

Post combustion Carbon Capture (PCC) and Storage technology is viewed as an efficient solution to reduce CO2 emissions. In PCC, an amine in aqueous solution can be used to selectively capture CO2 from a flue gas to usually achieve a targeted 90% CO2 removal. However, using a 30% wt solution of MonoEthanolAmine (MEA), 3.7 GJ/tCO2 is required to release the carbon dioxide from the solvent, which is not satisfactory either from the economical point of view, or from the environmental point of view. One alternative to improve the process is to tune the chemical properties of the solvent in order to obtain a higher cyclic capacity of absorption than the one of 30% wt MEA solution. This allows to reduce the total liquid flow rate in the CO2 capture plant, and thus the energy requirement for a given CO2 removal. Another alternative, which can be combined with the first alternative, is to tune the physical properties of the solvent in order to obtain a liquidliquid phase separation in the process. In this class of DMXTM solvents, the CO2 captured concentrates in one of the two phases and only a portion of the total flow rate has to be sent to the stripper and thus, the energy requirement for a given amount of CO2 captured is reduced. In this work, we present liquid-vapor and liquid-liquid equilibrium data obtained with different DMXTM solvents along with the corresponding estimations of the potential reduction of the liquid flow rate in the stripper.

The vapour pressures of (2-amino-2-methyl-1-propanol (AMP) + water), (N-benzylethanolamine + water), or (3-dimethylamino-1-propanol + water) binary mixtures, and of pure AMP and 3dimethylamino-1-propanol components were measured by means of two static devices at temperatures between 283 K and 363 K. The data were correlated with the Antoine equation. From these data, excess Gibbs functions (G(E)) were calculated for several constant temperatures and fitted to a fourth-order Redlich-Kister equation using the Barker's method. The (2-amino-2-methyl-1-propanol (AMP) + water) binary mixture exhibits negative deviations in G(E) (at T < 353.15 K) and a sinusoidal shape for G(E) for the higher temperatures over the whole composition range. For the aqueous N-benzylethanolamine solution, a S shape is observed for the G(E) for all investigated temperatures over the whole composition range. The (3-dimethylamino-1-Propanol + water) binary mixture exhibits negative deviations in G(E) (at T < 293.15 K), positive deviations in G(E) (for 293.15 K < T < 353.15 K) and a sinusoidal shape for G(E) for the higher temperatures over the whole composition range.

Gas hydrate formation is undesired in processing and gas distribution. Therefore, it is important to have a thermodynamic model that predicts correctly gas hydrate formation. Hydrate formation is very well studied in the literature in the presence of liquid water, and hydrate thermodynamic models predict correctly its formation; however, there is little information about gas hydrate formation without an aqueous phase. The new experimental procedure combining an equilibrium cell with water measurement by a Karl Fischer coulometer developed in our previous work (Youssef et al. Ind. Eng. Chem. Res. 2009, 48, 4045−4050) was used to determine the hydrate dissociation temperature in the absence of an aqueous phase on three gas mixtures at different pressures and for different amounts of water content. As in previous work, the classical Platteeuw and van der Waals model associated to the cubic plus association (CPA) equation of state, used in a totally predictive way, correctly predict hydrate dissociation with ...

The authors declare that data presented in the article entitled “Liquid−Liquid Equilibria for Monoethylene Glycol + Water + Alkane Systems in the Range (273 to 313) K and Atmospheric Pressure” [J. Chem. Eng. Data 2004, 49, 1577−1580] are completely erroneous. In the present study, the authors report new solubility data for two of the eight ternary systems mentioned in the previously cited article: monoethylene glycol (MEG) + water + n-hexane/2,2,4-trimethylpentane. The experimental protocol was first validated by studying the liquid−liquid equilibria of four binary mixtures, MEG + n-hexane/2,2,4-trimethylpentane and water + n-hexane/2,2,4-trimethylpentane, under atmospheric pressure at T = 283.15 K, T = 303.15 K, and T = 323.15 K. The experimental results have been compared with the available literature data, and a good agreement has been found.

It is well known that mass transfer of a solid compound into a liquid phase is characterized by mutual properties of both sides. Solubilization capacity of the liquid phase is primary affected by its composition in inorganic species inducing salting in/out effect evaluated by Setschenow constant, generally defined at 298.15 K. On the other hand, the equilibrium process is highly influenced by polar compatibility issue. Therefore, the study of such transfer is essential in order to set the role of each party participating in the solid–liquid equilibrium. Thus, a comparison of transfer magnitude and feasibility of carbaryl from pure water, to seawater, and lab-made seawater was held. To do so, solubility of the compound was experimented at different temperature in multiple media. Solubility determination is based on the saturation of a specific heated fluid passing through a saturation cell. The solute transported is subsequently trapped in a specific extraction column. Back flashing method is then applied to dissolve the compound. After validation, aqueous solubility of carbaryl was studied as function of temperature ranging from (273.15 to 318.15 K) at atmospheric pressure. In addition, solubility was determined in pure, seawater, and corresponding lab-made water, thus solubility values ranged from 3.57E-06 to 3.49E-05 in pure water, from 3.04E-06 to 2.53E-05 in seawater and from 6.51E-06 to 3.61E-05 in lab-made water. As a result, thermophysical properties of transfer and usage of lab-made water on the mass transfer properties divergence was spotted. The Salting out phenomenon observed for carbaryl was interpreted by the internal pressure theory that suggests the reduction of internal cavities in the presence of salt, making solubilization process more difficult to achieve. Thus, showing an overall endogenic process with a positive Gibbs free energy of transfer that is highly affected by the magnitude of salting out effect and the temperature. The molar entropy of transfer increases versus temperature caused by the disorder of solvent molecules due to the dissolution process.