Véronique Lachet - Publications

Affiliations: 
1998 Université Paris-Sud 11, Orsay, Bures-sur-Yvette, Île-de-France, France 

28 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Takoukam-Takoundjou C, Bourasseau E, Rushton MJD, Lachet V. Optimization of a new interatomic potential to investigate the thermodynamic properties of hypo-stoichiometric mixed oxide fuel U Pu O. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 32: 505702. PMID 32990265 DOI: 10.1088/1361-648X/Abace3  0.56
2020 Takoukam Takoundjou C, Bourasseau E, Rushton MJD, Lachet V. Optimization of a new interatomic potential to investigate the thermodynamic properties of hypo-stoichiometric mixed oxide fuel UPuO. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 32759486 DOI: 10.1088/1361-648X/abace3  0.56
2018 Steinmetz D, Creton B, Lachet V, Rousseau B, Nieto-Draghi C. Simulations of interfacial tension of liquid-liquid ternary mixtures using optimized parameterization for coarse-grained models. Journal of Chemical Theory and Computation. PMID 29906108 DOI: 10.1021/Acs.Jctc.8B00357  0.76
2016 Orozco GA, Lachet V, Mackie AD. Physical Absorption of Green House Gases in Amines: The Influence of Functionality, Structure, and Cross-Interactions. The Journal of Physical Chemistry. B. 120: 13136-13143. PMID 27966955 DOI: 10.1021/Acs.Jpcb.6B09819  0.6
2015 Lachet V, Teuler JM, Rousseau B. Classical force field for hydrofluorocarbon molecular simulations. Application to the study of gas solubility in poly(vinylidene fluoride). The Journal of Physical Chemistry. A. 119: 140-51. PMID 25479370 DOI: 10.1021/Jp506895P  0.76
2015 Sarrasin F, Memari P, Klopffer MH, Lachet V, Taravel Condat C, Rousseau B, Espuche E. Influence of high spressures on CH4, CO2 and H2S solubility in polyethylene: Experimental and molecular simulation approaches for pure gas and gas mixtures. Modelling of the sorption isotherms Journal of Membrane Science. 490: 380-388. DOI: 10.1016/J.Memsci.2015.04.040  0.76
2014 Neyt JC, Wender A, Lachet V, Ghoufi A, Malfreyt P. Quantitative Predictions of the Interfacial Tensions of Liquid-Liquid Interfaces through Atomistic and Coarse Grained Models. Journal of Chemical Theory and Computation. 10: 1887-99. PMID 26580519 DOI: 10.1021/Ct500053C  0.68
2014 Corvisier J, El-Ahmar E, Coquelet C, Sterpenich J, Privat R, Jaubert JN, Ballerat-Busserolles K, Coxam JY, Cézac P, Contamine F, Serin JP, Lachet V, Creton B, Parmentier M, Blanc P, et al. Simulations of the impact of co-injected gases on CO2 storage, the SIGARRR project: First results on water-gas interactions modeling Energy Procedia. 63: 3160-3171. DOI: 10.1016/J.Egypro.2014.11.341  0.76
2014 Neyt JC, Wender A, Lachet V, Szymczyk A, Ghoufi A, Malfreyt P. How does the electronic continuum model perform in the prediction of the surface tension of salt solutions Chemical Physics Letters. 595: 209-213. DOI: 10.1016/J.Cplett.2014.02.014  0.68
2013 Orozco GA, Lachet V, Nieto-Draghi C, Mackie AD. A Transferable Force Field for Primary, Secondary, and Tertiary Alkanolamines. Journal of Chemical Theory and Computation. 9: 2097-103. PMID 26583556 DOI: 10.1021/Ct301098S  0.68
2013 Neyt JC, Wender A, Lachet V, Ghoufi A, Malfreyt P. Prediction of the concentration dependence of the surface tension and density of salt solutions: atomistic simulations using Drude oscillator polarizable and nonpolarizable models. Physical Chemistry Chemical Physics : Pccp. 15: 11679-90. PMID 23752676 DOI: 10.1039/C3Cp50904D  0.68
2013 Ferrando N, Gedik I, Lachet V, Pigeon L, Lugo R. Prediction of phase equilibrium and hydration free energy of carboxylic acids by Monte Carlo simulations. The Journal of Physical Chemistry. B. 117: 7123-32. PMID 23697338 DOI: 10.1021/Jp401251W  0.52
2013 Ferrando N, Gedik I, Lachet V, Pigeon L, Lugo R. Prediction of phase equilibrium and hydration free energy of carboxylic acids by Monte Carlo simulations Journal of Physical Chemistry B. 117: 7123-7132. DOI: 10.1021/jp401251w  0.76
2013 Sterpenich J, Dubessy J, Pironon J, Renard S, Caumon MC, Randi A, Jaubert JN, Favre E, Roizard D, Parmentier M, Azaroual M, Lachet V, Creton B, Parra T, El Ahmar E, et al. Role of impurities on CO2 injection: Experimental and numerical simulations of thermodynamic properties of water-salt-gas mixtures (CO 2 +co-injected gases) under geological storage conditions Energy Procedia. 37: 3638-3645. DOI: 10.1016/J.Egypro.2013.06.257  0.76
2012 Orozco GA, Nieto-Draghi C, Mackie AD, Lachet V. Transferable force field for equilibrium and transport properties in linear and branched monofunctional and multifunctional amines. II. Secondary and tertiary amines. The Journal of Physical Chemistry. B. 116: 6193-202. PMID 22551443 DOI: 10.1021/Jp302972P  0.68
2012 Ferrando N, Lachet V, Boutin A. Transferable force field for carboxylate esters: application to fatty acid methylic ester phase equilibria prediction. The Journal of Physical Chemistry. B. 116: 3239-48. PMID 22369235 DOI: 10.1021/Jp212060U  0.68
2012 Memari P, Lachet V, Klopffer MH, Flaconnèche B, Rousseau B. Gas mixture solubilities in polyethylene below its melting temperature: Experimental and molecular simulation studies Journal of Membrane Science. 390: 194-200. DOI: 10.1016/J.Memsci.2011.11.035  0.76
2012 Lachet V, Creton B, Bruin TD, Bourasseau E, Desbiens N, Wilhelmsen O, Hammer M. Equilibrium and transport properties of CO2 + N2O and CO2 + NO mixtures: Molecular simulation and equation of state modelling study Fluid Phase Equilibria. 322: 66-78. DOI: 10.1016/J.Fluid.2012.03.011  0.56
2011 Orozco GA, Nieto-Draghi C, Mackie AD, Lachet V. Transferable force field for equilibrium and transport properties in linear, branched, and bifunctional amines I. Primary amines. The Journal of Physical Chemistry. B. 115: 14617-25. PMID 22034922 DOI: 10.1021/Jp207601Q  0.68
2011 Ferrando N, Lachet V, Pérez-Pellitero J, Mackie AD, Malfreyt P, Boutin A. A transferable force field to predict phase equilibria and surface tension of ethers and glycol ethers. The Journal of Physical Chemistry. B. 115: 10654-64. PMID 21800821 DOI: 10.1021/Jp203278T  0.68
2011 Neyt JC, Wender A, Lachet V, Malfreyt P. Prediction of the temperature dependence of the surface tension of SO2, N2, O2, and Ar by Monte Carlo molecular simulations. The Journal of Physical Chemistry. B. 115: 9421-30. PMID 21711018 DOI: 10.1021/Jp204056D  0.68
2010 Ferrando N, Lachet V, Boutin A. Monte Carlo simulations of mixtures involving ketones and aldehydes by a direct bubble pressure calculation. The Journal of Physical Chemistry. B. 114: 8680-8. PMID 20540589 DOI: 10.1021/Jp1031724  0.68
2010 Creton B, de Bruin T, Lachet V, Nieto-Draghi C. Extension of a charged anisotropic united atoms model to polycyclic aromatic compounds. The Journal of Physical Chemistry. B. 114: 6522-30. PMID 20420410 DOI: 10.1021/Jp101649G  0.68
2010 Memari P, Lachet V, Rousseau B. Molecular simulations of the solubility of gases in polyethylene below its melting temperature Polymer. 51: 4978-4984. DOI: 10.1016/J.Polymer.2010.08.020  0.76
2009 Ferrando N, Lachet V, Teuler JM, Boutin A. Transferable force field for alcohols and polyalcohols. The Journal of Physical Chemistry. B. 113: 5985-95. PMID 19344171 DOI: 10.1021/Jp810915Z  0.68
2008 Bourasseau E, Lachet V, Desbiens N, Maillet JB, Teuler JM, Ungerer P. Thermodynamic behavior of the CO2 + NO2/N2O4 mixture: a Monte Carlo simulation study. The Journal of Physical Chemistry. B. 112: 15783-92. PMID 19367990 DOI: 10.1021/Jp8068255  0.76
2007 Ungerer P, Nieto-Draghi C, Lachet V, Wender A, Lella Ad, Boutin A, Rousseau B, Fuchs AH. Molecular simulation applied to fluid properties in the oil and gas industry Molecular Simulation. 33: 287-304. DOI: 10.1080/08927020701245509  0.76
2005 Ahunbay MG, Perez-Pellitero J, Contreras-Camacho RO, Teuler JM, Ungerer P, Mackie AD, Lachet V. Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. III. Polyaromatic and naphthenoaromatic hydrocarbons. The Journal of Physical Chemistry. B. 109: 2970-6. PMID 16851311 DOI: 10.1021/Jp045474P  0.68
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