High Throughput Screening of CO2 Solubility in Aqueous Monoamine Solutions
Porcheron, Fabien, Gibert, Alexandre, Mougin, Pascal, Wender, Aurélie
Published in Environmental science & technology (15.03.2011)
Published in Environmental science & technology (15.03.2011)
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Journal Article
Prediction of the concentration dependence of the surface tension and density of salt solutions: atomistic simulations using Drude oscillator polarizable and nonpolarizable models
NEYT, Jean-Claude, WENDER, Aurélie, LACHET, Véronique, GHOUFI, Aziz, MALFREYT, Patrice
Published in Physical chemistry chemical physics : PCCP (28.07.2013)
Published in Physical chemistry chemical physics : PCCP (28.07.2013)
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Journal Article
Quantitative Predictions of the Interfacial Tensions of Liquid–Liquid Interfaces through Atomistic and Coarse Grained Models
Neyt, Jean-Claude, Wender, Aurélie, Lachet, Véronique, Ghoufi, Aziz, Malfreyt, Patrice
Published in Journal of chemical theory and computation (13.05.2014)
Published in Journal of chemical theory and computation (13.05.2014)
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Journal Article
Carnot : a thermodynamic library for energy industries
de Hemptinne, Jean-Charles, Ferrando, Nicolas, Hajiw-Riberaud, Martha, Lachet, Véronique, Maghsoodloo, Saheb, Mougin, Pascal, Ngo, Tri Dat, Pigeon, Laurent, Romero Yanes, Jose, Wender, Aurélie
Published in Science and technology for energy transition (2023)
Published in Science and technology for energy transition (2023)
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Journal Article
Optimisation of the dynamical behaviour of the anisotropic united atom model of branched alkanes: application to the molecular simulation of fuel gasoline
Nieto-Draghi, Carlos, Bocahut, Anthony, Creton, Benoît, Have, Pascal, Ghoufi, Aziz, Wender, Aurélie, Boutin, Anne, Rousseau, Bernard, Normand, Laurent
Published in Molecular simulation (01.02.2008)
Published in Molecular simulation (01.02.2008)
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Journal Article
Prediction of the Temperature Dependence of the Surface Tension Of SO sub(2), N sub(2), O sub(2), and Ar by Monte Carlo Molecular Simulations
Neyt, Jean-Claude, Wender, Aurelie, Lachet, Veronique, Malfreyt, Patrice
Published in The journal of physical chemistry. B (04.08.2011)
Published in The journal of physical chemistry. B (04.08.2011)
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Journal Article
Adsorption of n-Alkanes in Faujasite Zeolites: Molecular Simulation Study and Experimental Measurements
Wender, Aurélie, Barreau, Alain, Lefebvre, Catherine, Di Lella, Angela, Boutin, Anne, Ungerer, Philippe, Fuchs, Alain H.
Published in Adsorption science & technology (01.10.2006)
Published in Adsorption science & technology (01.10.2006)
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Journal Article
High Throughput Screening of CO 2 Solubility in Aqueous Monoamine Solutions
Porcheron, Fabien, Gibert, Alexandre, Mougin, Pascal, Wender, Aurélie
Published in Environmental science & technology (15.03.2011)
Published in Environmental science & technology (15.03.2011)
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Journal Article
METHOD FOR REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT USING A TERTIARY AMINE-BASED ABSORBENT SOLUTION
WENDER, Aurelie, COURTIAL, Xavier, DEHLINGER, Marie, GROSJEAN, Francois, KITTEL, Jean, MOURET, Aurelie, LETTAT, Abdelkader, GRANDJEAN, Julien, HUARD, Thierry
Year of Publication 09.11.2023
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Year of Publication 09.11.2023
Patent
Molecular modeling of the liquid-vapor interfaces of a multi-component mixture: Prediction of the coexisting densities and surface tensions at different pressures and gas compositions
Neyt, J. C., Wender, A., Lachet, V., Ghoufi, A., Malfreyt, P.
Published in The Journal of chemical physics (14.07.2013)
Published in The Journal of chemical physics (14.07.2013)
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Journal Article
Quantitative prediction of the interface tension of liquid-liquid interfaces through atomistic and coarse-grained models
Neyt, Jean-Claude, Wender, Aurélie, Lachet, Véronique, Ghoufi, Aziz, Malfreyt, Patrice
Published in Journal of chemical theory and computation (2014)
Published in Journal of chemical theory and computation (2014)
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Journal Article
Prediction of the concentration dependence of the surface tension and density of salt solutions : atomistic simulations with polarizable and nonpolarizable models
Neyt, Jean-Claude, Wender, Aurélie, Lachet, Véronique, Ghoufi, Aziz, Malfreyt, Patrice
Published in Physical chemistry chemical physics : PCCP (16.05.2013)
Published in Physical chemistry chemical physics : PCCP (16.05.2013)
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Journal Article
High Throughput Screening of CO^sub 2^ Solubility in Aqueous Monoamine Solutions
Porcheron, Fabien, Gibert, Alexandre, Mougin, Pascal, Wender, Aurélie
Published in Environmental science & technology (15.03.2011)
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Published in Environmental science & technology (15.03.2011)
Journal Article