Bernard Rousseau - Publications

Affiliations: 
1984-1987 Université Paris-Sud XI, Orsay, Essonne, France 

81 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
2022 Belin B, Yiannourakou M, Lachet V, Rousseau B. Modeling Method for Semicrystalline Polymers Controlling Aspects of the Morphology at the Molecular Scale for the Study of Mechanical and Physicochemical Properties. The Journal of Physical Chemistry. B. PMID 36374206 DOI: 10.1021/acs.jpcb.2c04571  0.626
2019 Fauve R, Coquelet C, Houriez C, Artola P, Ahmar EE, Rousseau B. Corrigendum and Comments to “Vapor-liquid equilibrium and molecular simulation data for carbon dioxide (CO2) + trans-1,3,3,3-tetrafluoroprop-1-ene (R-1234ze(E)) mixture at temperatures from 283.32 to 353.02 K and pressures up to 7.6 MPa” [Int. J. Refrig. 98 (2019) 362–371] International Journal of Refrigeration-Revue Internationale Du Froid. 104: 386-389. DOI: 10.1016/J.Ijrefrig.2019.05.039  0.339
2019 Wang S, Fauve R, Coquelet C, Valtz A, Houriez C, Artola P, Ahmar EE, Rousseau B, Hu H. Vapor–liquid equilibrium and molecular simulation data for carbon dioxide (CO2) + trans-1,3,3,3-tetrafluoroprop-1-ene (R-1234ze(E)) mixture at temperatures from 283.32 to 353.02 K and pressures up to 7.6 MPa International Journal of Refrigeration-Revue Internationale Du Froid. 98: 362-371. DOI: 10.1016/J.Ijrefrig.2018.10.032  0.353
2019 Yiannourakou M, Ungerer P, Lachet V, Rousseau B, Teuler J. United atom forcefield for vapor-liquid equilibrium (VLE) properties of cyclic and polycyclic compounds from Monte Carlo simulations Fluid Phase Equilibria. 481: 28-43. DOI: 10.1016/J.Fluid.2018.07.001  0.682
2019 Roguet E, Akhan K, Brusselle-Dupend N, Le Corre V, Sidhom M, Cangemi L, Moreaud M, Clavier G, Lachet V, Rousseau B. Investigation of the 3D crystalline network impact on the elastic properties of Semi-Crystalline Polymers from a multi-scale modelling approach Computational Materials Science. 167: 77-84. DOI: 10.1016/J.Commatsci.2019.05.006  0.644
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  0.676
2018 Couallier E, Riaublanc A, David Briand E, Rousseau B. Molecular simulation of the water-triolein-oleic acid mixture: Local structure and thermodynamic properties. The Journal of Chemical Physics. 148: 184702. PMID 29764126 DOI: 10.1063/1.5021753  0.361
2017 Lemarchand CA, Couty M, Rousseau B. Coarse-grained simulations of cis- and trans-polybutadiene: A bottom-up approach. The Journal of Chemical Physics. 146: 074904. PMID 28228020 DOI: 10.1063/1.4975652  0.35
2017 Clavier G, Desbiens N, Bourasseau E, Lachet V, Brusselle-Dupend N, Rousseau B. Computation of elastic constants of solids using molecular simulation: comparison of constant volume and constant pressure ensemble methods Molecular Simulation. 43: 1413-1422. DOI: 10.1080/08927022.2017.1313418  0.682
2015 Nieto-Draghi C, Fayet G, Creton B, Rozanska X, Rotureau P, de Hemptinne JC, Ungerer P, Rousseau B, Adamo C. A General Guidebook for the Theoretical Prediction of Physicochemical Properties of Chemicals for Regulatory Purposes. Chemical Reviews. PMID 26624238 DOI: 10.1021/Acs.Chemrev.5B00215  0.608
2015 Artola PA, Rousseau B. Isotopic Soret effect in ternary mixtures: Theoretical predictions and molecular simulations. The Journal of Chemical Physics. 143: 174503. PMID 26547172 DOI: 10.1063/1.4934634  0.326
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  0.691
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  0.669
2015 Galliero G, Bataller H, Croccolo F, Vermorel R, Artola PA, Rousseau B, Vesovic V, Bou-Ali M, Ortiz de Zárate JM, Xu S, Zhang K, Montel F. Impact of Thermodiffusion on the Initial Vertical Distribution of Species in Hydrocarbon Reservoirs Microgravity Science and Technology. DOI: 10.1007/S12217-015-9465-6  0.348
2014 Dubost E, Dognon JP, Rousseau B, Milanole G, Dugave C, Boulard Y, Léonce E, Boutin C, Berthault P. Understanding a host-guest model system through ¹²⁹Xe NMR spectroscopic experiments and theoretical studies. Angewandte Chemie (International Ed. in English). 53: 9837-40. PMID 25048162 DOI: 10.1002/Anie.201405349  0.308
2014 Mai Z, Couallier E, Rakib M, Rousseau B. Parameterization of a mesoscopic model for the self-assembly of linear sodium alkyl sulfates. The Journal of Chemical Physics. 140: 204902. PMID 24880320 DOI: 10.1063/1.4875515  0.344
2014 Trément S, Schnell B, Petitjean L, Couty M, Rousseau B. Conservative and dissipative force field for simulation of coarse-grained alkane molecules: a bottom-up approach. The Journal of Chemical Physics. 140: 134113. PMID 24712786 DOI: 10.1063/1.4870394  0.376
2014 Posel Z, Rousseau B, Lísal M. Scaling behaviour of different polymer models in dissipative particle dynamics of unentangled melts Molecular Simulation. 40: 1274-1289. DOI: 10.1080/08927022.2013.869803  0.319
2014 Trément S, Schnell B, Petitjean L, Couty M, Rousseau B. Erratum: “Conservative and dissipative force field for simulation of coarse-grained alkane molecules: A bottom-up approach” [J. Chem. Phys. 140, 134113 (2014)] The Journal of Chemical Physics. 140: 169901. DOI: 10.1063/1.4872368  0.324
2014 Betaouaf F, Cailliez F, Rousseau B, Ould-Kaddour F. Molecular simulation of the thermodynamics, structural and transport properties of the liquid binary mixture methane + nitrogen Journal of Molecular Liquids. 200: 298-304. DOI: 10.1016/J.Molliq.2014.10.035  0.386
2013 Deguillard E, Pannacci N, Creton B, Rousseau B. Interfacial tension in oil-water-surfactant systems: on the role of intra-molecular forces on interfacial tension values using DPD simulations. The Journal of Chemical Physics. 138: 144102. PMID 24981523 DOI: 10.1063/1.4799888  0.348
2013 Artola PA, Raihane A, Crauste-Thibierge C, Merlet D, Emo M, Alba-Simionesco C, Rousseau B. Limit of miscibility and nanophase separation in associated mixtures. The Journal of Physical Chemistry. B. 117: 9718-27. PMID 23937163 DOI: 10.1021/Jp3124499  0.324
2013 Memari P, Lachet V, Rousseau B. Gas Permeation in Semicrystalline Polyethylene as Studied by Molecular Simulation and Elastic Model Oil & Gas Science and Technology – Revue D’Ifp Energies Nouvelles. 70: 227-235. DOI: 10.2516/Ogst/2012074  0.683
2013 Saldana DA, Creton B, Mougin P, Jeuland N, Rousseau B, Starck L. Rational formulation of alternative fuels using QSPR methods: Application to jet fuels | Développement d'un outil d'aide à la formulation des carburants alternatifs utilisant des méthodes QSPR (Quantitative Structure Property Relationship): Application aux carburéacteurs Oil and Gas Science and Technology. 68: 651-662. DOI: 10.2516/Ogst/2012034  0.324
2013 Artola PA, Rousseau B. Thermal diffusion in simple liquid mixtures: What have we learnt from molecular dynamics simulations? Molecular Physics. 111: 3394-3403. DOI: 10.1080/00268976.2013.837534  0.379
2013 Pandiyan S, Rousseau B. Factors influencing properties of interfacial regions in semicrystalline polyethylene: A molecular dynamics simulation study Polymer (United Kingdom). 54: 3586-3593. DOI: 10.1016/J.Polymer.2013.04.067  0.383
2012 Yiannourakou M, Rousseau B, Pannacci N, Herzhaft B. Rheological behavior of aqueous polyacrylamide solutions determined by dissipative particle dynamics and comparison to experiments Epl. 97. DOI: 10.1209/0295-5075/97/34007  0.387
2012 Saldana DA, Starck L, Mougin P, Rousseau B, Ferrando N, Creton B. Prediction of density and viscosity of biofuel compounds using machine learning methods Energy and Fuels. 26: 2416-2426. DOI: 10.1021/Ef3001339  0.311
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  0.683
2011 Niezgoda M, Rochais D, Enguehard F, Echegut P, Rousseau B. Modeling of time-resolved coupled radiative and conductive heat transfer in multilayer semitransparent materials up to very high temperatures Applied Physics Letters. 99. DOI: 10.1063/1.3664408  0.304
2010 Nguyen TV, Houriez C, Rousseau B. Viscosity of the 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid from equilibrium and nonequilibrium molecular dynamics. Physical Chemistry Chemical Physics : Pccp. 12: 930-6. PMID 20066378 DOI: 10.1039/B918191A  0.394
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  0.68
2009 Lahmar F, Tzoumanekas C, Theodorou DN, Rousseau B. Onset of entanglements revisited. Dynamical analysis Macromolecules. 42: 7485-7494. DOI: 10.1021/Ma9011329  0.328
2008 Artola PA, Rousseau B, Galliéro G. A new model for thermal diffusion: kinetic approach. Journal of the American Chemical Society. 130: 10963-9. PMID 18652459 DOI: 10.1021/Ja800817F  0.341
2008 Nieto-Draghi C, Bocahut A, Creton B, Have P, Ghoufi A, Wender A, Boutin A, Rousseau B, Normand L. Optimisation of the dynamical behaviour of the anisotropic united atom model of branched alkanes: application to the molecular simulation of fuel gasoline Molecular Simulation. 34: 211-230. DOI: 10.1080/08927020801993370  0.629
2007 Ge J, Kjelstrup S, Bedeaux D, Simon JM, Rousseau B. Transfer coefficients for evaporation of a system with a Lennard-Jones long-range spline potential. Physical Review E. 75: 61604. PMID 17677270 DOI: 10.1103/Physreve.75.061604  0.339
2007 Ibergay C, Ghoufi A, Goujon F, Ungerer P, Boutin A, Rousseau B, Malfreyt P. Molecular simulations of the n -alkane liquid-vapor interface: interfacial properties and their long range corrections. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 75: 051602. PMID 17677073 DOI: 10.1103/Physreve.75.051602  0.743
2007 Artola PA, Rousseau B. Microscopic interpretation of a pure chemical contribution to the Soret effect. Physical Review Letters. 98: 125901. PMID 17501137 DOI: 10.1103/Physrevlett.98.125901  0.306
2007 Guerrault X, Rousseau B, Farago J. Dissipative particle dynamics simulations of polymer melts. I. Building potential of mean force for polyethylene and cis-polybutadiene. The Journal of Chemical Physics. 121: 6538-46. PMID 15446955 DOI: 10.1063/1.1786917  0.364
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  0.788
2007 Lahmar F, Rousseau B. Influence of the adjustable parameters of the DPD on the global and local dynamics of a polymer melt Polymer. 48: 3584-3592. DOI: 10.1016/J.Polymer.2007.04.018  0.353
2007 Ungerer P, Nieto-Draghi C, Rousseau B, Ahunbay G, Lachet V. Molecular simulation of the thermophysical properties of fluids: From understanding toward quantitative predictions Journal of Molecular Liquids. 134: 71-89. DOI: 10.1016/J.Molliq.2006.12.019  0.784
2007 Faure F, Rousseau B, Lachet V, Ungerer P. Molecular simulation of the solubility and diffusion of carbon dioxide and hydrogen sulfide in polyethylene melts Fluid Phase Equilibria. 261: 168-175. DOI: 10.1016/J.Fluid.2007.07.032  0.762
2006 Nieto-Draghi C, Ungerer P, Rousseau B. Optimization of the anisotropic united atoms intermolecular potential for n-alkanes: improvement of transport properties. The Journal of Chemical Physics. 125: 44517. PMID 16942166 DOI: 10.1063/1.2219114  0.67
2006 Lísal M, Nezbeda I, Ungerer P, Teuler JM, Rousseau B. Low-temperature vapor-liquid equilibria from parallelized molecular dynamics simulations. Application to 1- and 2-methylnaphthalene. The Journal of Physical Chemistry. B. 110: 12083-8. PMID 16800520 DOI: 10.1021/Jp060326F  0.676
2006 Meneses DDS, Brun J-, Rousseau B, Echegut P. Polar lattice dynamics of the MgAl2O4 spinel up to the liquid state Journal of Physics: Condensed Matter. 18: 5669-5686. DOI: 10.1088/0953-8984/18/24/008  0.352
2006 Rousseau B, Canizares A, Véron E, Ramy-Ratiarison R, Blin A, Meneses DDS, Simon P, Berberich F, Graafsma H, Pomar A, Mestres N, Puig T, Obradors X. Characterisation of YBa2Cu3O6+x films grown by the trifluoro-acetate metal organic decomposition route by infrared spectroscopy Thin Solid Films. 515: 1607-1611. DOI: 10.1016/J.Tsf.2006.05.027  0.314
2005 Nieto-Draghi C, Avalos JB, Rousseau B. Computing the Soret coefficient in aqueous mixtures using boundary driven nonequilibrium molecular dynamics. The Journal of Chemical Physics. 122: 114503. PMID 15836225 DOI: 10.1063/1.1863872  0.333
2004 Goujon F, Malfreyt P, Simon JM, Boutin A, Rousseau B, Fuchs AH. Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface. The Journal of Chemical Physics. 121: 12559-71. PMID 15606277 DOI: 10.1063/1.1819868  0.794
2004 Rousseau B, Nieto-Draghi C, Avalos JB. The role of molecular interactions in the change of sign of the Soret coefficient Europhysics Letters (Epl). 67: 976-982. DOI: 10.1209/Epl/I2004-10136-3  0.313
2004 Leroy F, Rousseau B, Fuchs AH. Self-diffusion of n-alkanes in silicalite using molecular dynamics simulation: A comparison between rigid and flexible frameworks Physical Chemistry Chemical Physics. 6: 775. DOI: 10.1039/B310273D  0.599
2003 Nieto-Draghi C, Bonet Ávalos J, Rousseau B. Transport properties of dimethyl sulfoxide aqueous solutions The Journal of Chemical Physics. 119: 4782-4789. DOI: 10.1063/1.1595637  0.357
2002 Porcheron F, Rousseau B, Fuchs AH. Structure of ultra-thin confined alkane films from Monte Carlo simulations Molecular Physics. 100: 2109-2119. DOI: 10.1080/002689702110137301  0.635
2002 Perronace A, Leppla C, Leroy F, Rousseau B, Wiegand S. Soret and mass diffusion measurements and molecular dynamics simulations ofn-pentane–n-decane mixtures The Journal of Chemical Physics. 116: 3718-3729. DOI: 10.1063/1.1436473  0.352
2001 Perronace A, Simon JM, Rousseau B, Ciccotti G. Flux expressions and NEMD perturbations for models of semi-flexible molecules Molecular Physics. 99: 1139-1149. DOI: 10.1080/00268970110042839  0.583
2001 J.-M. Pellenq R, Rousseau B, Levitz PE. A Grand Canonical Monte Carlo study of argon adsorption/condensation in mesoporous silica glasses Physical Chemistry Chemical Physics. 3: 1207-1212. DOI: 10.1039/B008961N  0.355
2001 Porcheron F, Rousseau B, Schoen M, Fuchs AH. Structure and solvation forces in confined alkane films Physical Chemistry Chemical Physics. 3: 1155-1159. DOI: 10.1039/B008828P  0.61
2000 Dysthe DK, Fuchs AH, Rousseau B. Fluid transport properties by equilibrium molecular dynamics. III. Evaluation of united atom interaction potential models for pure alkanes Journal of Chemical Physics. 112: 7581-7590. DOI: 10.1063/1.481353  0.625
2000 Ungerer P, Beauvais C, Delhommelle J, Boutin A, Rousseau B, Fuchs AH. Optimization of the anisotropic united atoms intermolecular potential for n-alkanes Journal of Chemical Physics. 112: 5499-5510. DOI: 10.1063/1.481116  0.791
1999 Dysthe DK, Fuchs AH, Rousseau B, Durandeau M. Fluid transport properties by equilibrium molecular dynamics. II. Multicomponent systems Journal of Chemical Physics. 110: 4060-4067. DOI: 10.1063/1.478287  0.653
1999 Dysthe DK, Fuchs AH, Rousseau B. Fluid transport properties by equilibrium molecular dynamics. I. Methodology at extreme fluid states Journal of Chemical Physics. 110: 4047-4059. DOI: 10.1063/1.478286  0.62
1999 Porcheron F, Rousseau B, H. Fuchs A, Schoen M. Monte Carlo simulations of nanoconfined n-decane films Physical Chemistry Chemical Physics. 1: 4083. DOI: 10.1039/A903431E  0.368
1998 Fuchs A, Boutin A, Rousseau B. Molecular Simulations As a Tool for Predicting Phase Equilibria and Transport Properties of Fluids Revue De L'Institut FrançAis Du PéTrole. 53: 329-333. DOI: 10.2516/Ogst:1998028  0.714
1998 Dysthe DK, Fuchs AH, Rousseau B. International Journal of Thermophysics. 19: 437-448. DOI: 10.1023/A:1022513411043  0.618
1998 Simon J-, Dysthe DK, Fuchs AH, Rousseau B. Thermal diffusion in alkane binary mixtures A molecular dynamics approach Fluid Phase Equilibria. 150: 151-159. DOI: 10.1016/S0378-3812(98)00286-6  0.606
1998 Bordarier P, Rousseau B, Fuchs AH. A model for the static friction behaviour of nanolubricated contacts Thin Solid Films. 330: 21-26. DOI: 10.1016/S0040-6090(98)00796-2  0.767
1997 Bordarier P, Rousseau B, Fuchs AH. Rheology of model confined ultrathin fluid films. I. Statistical mechanics of the surface force apparatus experiments The Journal of Chemical Physics. 106: 7295-7302. DOI: 10.1063/1.473691  0.78
1996 Simon JP, Fuchs AH, Rousseau B. Propriétés de transport en phase liquide : une approche par simulation numérique de la dynamique moléculaire Revue De L'Institut FrançAis Du PéTrole. 51: 97-104. DOI: 10.2516/Ogst:1996008  0.587
1996 Bordarier P, Rousseau B, Fuchs AH. Solvation Force and Confinement-Induced Phase Transitions of Model Ultra Thin Films Molecular Simulation. 17: 199-215. DOI: 10.1080/08927029608024109  0.786
1996 Celestini F, Pellenq RJ, Bordarier P, Rousseau B. Melting of Lennard-Jones clusters in confined geometries Zeitschrift F�R Physik D Atoms, Molecules and Clusters. 37: 49-53. DOI: 10.1007/S004600050008  0.765
1994 Boutin A, Rousseau B, Fuchs AH. The temperature-size phase diagram of large SF6 clusters by computer simulation Chemical Physics Letters. 218: 122-127. DOI: 10.1016/0009-2614(93)E1450-V  0.71
1993 Boutin A, Rousseau B, Fuchs AH. Surface melting of a molecular crystal by computer simulations Surface Science. 287: 866-870. DOI: 10.1016/0167-2584(93)90553-U  0.715
1992 Boutin A, Rousseau B, Fuchs AH. Is There a Vacancy-Induced Premelting in a Molecular Crystal? Europhysics Letters (Epl). 18: 245-250. DOI: 10.1209/0295-5075/18/3/010  0.697
1992 Rousseau B, Boutin A, Fuchs A, Craven C. Melting of sulfur hexafluoride clusters by molecular dynamics simulation Molecular Physics. 76: 1079-1091. DOI: 10.1080/00268979200101891  0.712
1991 Dosseh G, Rousseau B, Fuchs AH. Identification of aromatic molecules in intermediate boiling crude oil fractions by 2D n.m.r. spectroscopy Fuel. 70: 641-646. DOI: 10.1016/0016-2361(91)90179-E  0.765
1990 Craven C, Dosseh G, Rousseau B, Fuchs A. Grain boundary premelting in crystalline benzene as studied by proton N.M.R. Journal De Physique. 51: 2489-2499. DOI: 10.1051/Jphys:0199000510210248900  0.763
1989 Bessada C, Fuchs A, Gallier J, Rousseau B. Dynamic disorder in stable and metastable thiophene. - II. Non Lorentzian nuclear relaxation and glass transition Journal De Physique. 50: 855-859. DOI: 10.1051/Jphys:01989005008085500  0.57
1989 Rousseau B, Fuchs AH. Determination of average molecular weights of high-boiling aromatic oil fractions by 13C and 1H nuclear magnetic resonance Fuel. 68: 1158-1161. DOI: 10.1016/0016-2361(89)90188-9  0.588
1988 Bessada C, Fuchs AH, Rousseau B, Szwarc H. Molecular relaxation and microstructures in glassy crystals Journal of Physics C: Solid State Physics. 21: 731-737. DOI: 10.1088/0022-3719/21/4/010  0.578
1988 André D, Bessada C, Fuchs A, Rousseau B, Szwarc H. Dynamic disorder in stable and metastable thiophene. - I. N. M. R. lineshape study and structurally based interpretations Journal De Physique. 49: 281-288. DOI: 10.1051/Jphys:01988004902028100  0.726
1988 Rousseau B, Bessada C, Fuchs AH. Premelting, defects and self diffusion in molecular crystals Solid State Communications. 67: 1017-1018. DOI: 10.1016/0038-1098(88)90477-2  0.577
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