1990-1999

1999

Recoil growth algorithm for chain molecules with continuous interactions

S. Consta, T. J. H. Vlugt, J. W. Hoeth, B. Smit, and D. Frenkel, Recoil growth algorithm for chain molecules with continuous interactions Mol. Phys. 97 (12), 1243 (1999) http://dx.doi.org/10.1080/00268979909482926

Influence of isotherm inflection on diffusion in silicalite

R. Krishna, T. J. H. Vlugt, and B. Smit, Influence of isotherm inflection on diffusion in silicalite Chem. Eng. Sci. 54, 1751 (1999) http://dx.doi.org/10.1016/S0009-2509(98)00538-7

The shape selectivity of paraffin hydroconversion on TON-, MTT- and AEL-type Sieves

T. L. M. Maesen, M. Schenk, T.J.H.Vlugt, J. P. d. Jonge, and B. Smit, The shape selectivity of paraffin hydroconversion on TON-, MTT- and AEL-type Sieves J. Catal. 188, 403 (1999) http://dx.doi.org/10.1006/jcat.1999.2673

Simulating the self-assembly of model membranes

M. Venturoli and B. Smit, Simulating the self-assembly of model membranes PhysChemCom 10 (2), 45 (1999) http://dx.doi.org/10.1039/A906472I

Molecular Simulations of Adsorption Isotherms for Linear and Branched Alkanes and their Mixtures in Silicalite

T. J. H. Vlugt, R. Krishna, and B. Smit, Molecular Simulations of Adsorption Isotherms for Linear and Branched  Alkanes and their Mixtures in Silicalite J. Phys. Chem. B 103, 1102 (1999) http://dx.doi.org/10.1021/jp982736c


1998

Molecular Simulation of Adsorption of Short Linear Alkanes and their Mixtures in Silicalite

Z. Du, T. J. H. Vlugt, B. Smit, and G. Manos, Molecular Simulation of Adsorption of Short Linear Alkanes and their Mixtures in Silicalite Aiche J. 44, 1756 (1998) http://dx.doi.org/10.1002/aic.690440807

Sorption-induced diffusion-selective separation of hydrocarbon isomers using silicalite

R. Krishna, B. Smit, and T. J. H. Vlugt, Sorption-induced diffusion-selective separation of hydrocarbon isomers using silicalite J. Phys. Chem. A 102, 7727 (1998) http://dx.doi.org/10.1021/jp982438f

Simulation of alkane adsorption in the aluminophosphate molecular sieve AlPO4-5

T. Maris, T. J. H. Vlugt, and B. Smit, Simulation of alkane adsorption in the aluminophosphate molecular sieve  AlPO4-5 J. Phys. Chem. B 102, 7183 (1998) http://dx.doi.org/10.1021/jp981256i

Wassen in de computer

B. Smit, Wassen in de computer Natuur en Techniek 66, 20 (1998) 

Erratum:``Computer simulations of vapour-liquid phase equilibria of n-alkanes'' J. Chem. Phys. 102, 2126 (1995)

B. Smit, S. Karaborni, and J. I. Siepmann, Erratum:``Computer simulations of vapour-liquid phase equilibria of  n-alkanes'' J. Chem. Phys. 102, 2126 (1995) J. Chem. Phys. 109, 352 (1998) http://dx.doi.org/10.1063/1.476536


Improving the efficiency of the CBMC algorithm

T. J. H. Vlugt, M. G. Martin, B. Smit, J. I. Siepmann, and R. Krishna, Improving the efficiency of the CBMC algorithm Mol. Phys. 94, 727 (1998) http://dx.doi.org/10.1080/002689798167881

Adsorption of linear and branched alkanes in the zeolite silicalite-1

T. J. H. Vlugt, W. Zhu, F. Kapteijn, J. A. Moulijn, B. Smit, and R. Krishna, Adsorption of linear and branched alkanes in the zeolite silicalite-1 J. Am. Chem. Soc. 120, 5599 (1998) http://dx.doi.org/10.1021/ja974336t

Chain lenght effects of n-alkanes in Ferrierite

W. J. M. v. Well, X. Cottin, J. W. d. Haan, R. A. v. Santen, and B. Smit, Chain lenght effects of n-alkanes in Ferrierite Angew. Chem. (Int. Ed.) 37, 1081 (1998) http://dx.doi.org/10.1002/(SICI)1521-3773(19980504)37:8<1081::AID-ANIE1081>3.0.CO;2-O

Einfluss der Kettenlänge auf deren Adsorptionverhalten in Ferrierit

W. J. M. v. Well, X. Cottin, J. W. d. Haan, R. A. v. Santen, and B. Smit, Einfluss der Kettenlänge auf deren Adsorptionverhalten in Ferrierit Angew. Chem. 110, 1142 (1998) http://dx.doi.org/10.1002/(SICI)1521-3757(19980420)110:8<1142::AID-ANGE1142>3.0.CO;2-Q


Chain lenght effects of linear alkanes in zeolite ferrierite Part I: Sorption and 13C NMR experiments

W. J. M. v. Well, X. Cottin, J. W. d. Haan, B. Smit, G. Nivarthy, J. A. Lercher, J. H. C. v. Hooff, and R. A. v. Santen, Chain lenght effects of linear alkanes in zeolite ferrierite Part I:  Sorption and 13C NMR experiments J. Phys. Chem. B 102, 3945 (1998) http://dx.doi.org/10.1021/jp980398+

Chain length effects of linear alkanes in zeolite ferrierite Part II: Molecular simulations

W. J. M. v. Well, X. Cottin, B. Smit, J. H. C. v. Hooff, and R. A. v. Santen, Chain length effects of linear alkanes in zeolite ferrierite Part II:   Molecular simulations J. Phys. Chem. B 102, 3952 (1998) http://dx.doi.org/10.1021/jp9803992

Combining dissipative particle dynamics and Monte Carlo techniques

S. M. Willemsen, T. J. H. Vlugt, H. C. J. Hoefsloot, and B. Smit, Combining dissipative particle dynamics and Monte Carlo techniques J. Comp. Phys. 147, 507 (1998) http://dx.doi.org/10.1006/jcph.1998.6099


1997

Configurational-bias Monte Carlo calculations on n-alkane sorption in zeolites RHO and FER

S. P. Bates, W. J. M. v. Well, R. A. v. Santen, and B. Smit, Configurational-bias Monte Carlo calculations on n-alkane sorption in  zeolites RHO and FER Mol. Sim. 19, 301 (1997) http://dx.doi.org/10.1080/08927029708024159

Understanding Molecular Simulations: Simulating Phase Coexistence

D. Frenkel and B. Smit, Understanding Molecular Simulations: Simulating Phase Coexistence Comp. in Phys. 11, 246 (1997)

Simulating the Adsorption and Diffusion of Hydrocarbons in Zeolites

B. Smit, L. D. J. C. Loyens, and G. L. M. M. Verbist, Simulating the Adsorption and Diffusion of Hydrocarbons in Zeolites Faraday Discuss. 106, 93 (1997) http://dx.doi.org/10.1039/a701559c


1996

Energetics of n-alkanes in zeolites: A configurational-bias Monte Carlo investigation into pore size dependence

S. P. Bates, W. J. M. v. Well, R. A. v. Santen, and B. Smit, Energetics of n-alkanes in zeolites: A configurational-bias Monte Carlo   investigation into pore size dependence J. Am. Chem. Soc. 118, 6753 (1996) http://dx.doi.org/10.1021/ja953856q

Location and conformation of n-alkanes in zeolites: An analysis of configurational-bias Monte Carlo calculations

S. P. Bates, W. J. M. v. Well, R. A. v. Santen, and B. Smit, Location and conformation of n-alkanes in zeolites: An analysis of   configurational-bias Monte Carlo calculations J. Phys. Chem. 100, 17573 (1996) http://dx.doi.org/10.1021/jp961386w


Understanding Molecular Simulations: from Algorithms to Applications

D. Frenkel and B. Smit, Understanding Molecular Simulations: from Algorithms to Applications. (Academic Press, San Diego, 1996)

Associating lattice fluids near hard and interacting walls

R. H. C. Janssen, E. Nies, and B. Smit, Associating lattice fluids near hard and interacting walls Langmuir 12, 6537 (1996) http://dx.doi.org/10.1021/la9605910

Le ballet moléculaire de l'huile et du savon

S. Karaborni, K. Esselink, and B. Smit, Le ballet moléculaire de l'huile et du savon La Recherche 284, 74 (1996)

Computer simulations of surfactant structures

S. Karaborni and B. Smit, Computer simulations of surfactant structures Curr. Opin. Coll. Interf. Sci. 1, 411 (1996) http://dx.doi.org/10.1016/S1359-0294(96)80141-5

The swelling of clays: molecular simulations of the hydration of montmorillonite

S. Karaborni, B. Smit, W. Heidug, J. Urai, and E. v. Oort, The swelling of clays: molecular simulations of the hydration of montmorillonite Science 271, 1102 (1996) http://dx.doi.org/10.1126/science.271.5252.1102

Molecular simulations of fluid phase equilibria

B. Smit, Molecular simulations of fluid phase equilibria Fluid Phase Equilibria 116, 249 (1996) http://dx.doi.org/10.1016/0378-3812(95)02893-5

Molecular simulations of adsorption: from argon to long-chain paraffins

B. Smit, Molecular simulations of adsorption: from argon to long-chain paraffins Rev.  Int. Fran.Petr. 51, 73 (1996) http://dx.doi.org/10.2516/ogst:1996006

Computational physics in industry

B. Smit, Computational physics in industry Physica Scripta T66, 80 (1996) http://dx.doi.org/10.1088/0031-8949/1996/T66/010

Computational physics in industry

B. Smit, Computational physics in industry Europhys. News 27, 189 (1996)

Solid-solid and liquid-solid phase equilibria for the restricted primitive model

B. Smit, K. Esselink, and D. Frenkel, Solid-solid and liquid-solid phase equilibria for the restricted primitive model Mol. Phys. 87, 159 (1996) http://dx.doi.org/10.1080/00268979600100081


1995

Kommensurate Einfrieren von n-Alkanen im Silicalit

W. J. M. v. Well, J. P. Wolthuizen, B. Smit, J. H. C. v. Hooff, and R. A. v. Santen, Kommensurate Einfrieren von n-Alkanen im Silicalit Angew. Chem. 107, 2765 (1995) http://dx.doi.org/10.1002/ange.19951072234

Commensurate freezing of n-alkanes in silicalite

W. J. M. v. Well, J. P. Wolthuizen, B. Smit, J. H. C. v. Hooff, and R. A. v. Santen, Commensurate freezing of n-alkanes in silicalite Angew. Chem. (Int. Ed.) 34, 2543 (1995) http://dx.doi.org/10.1002/anie.199525431

Commensurate ``freezing'' of alkanes in the channels of a zeolite

B. Smit and T. L. M. Maesen, Commensurate ``freezing'' of alkanes in the channels of a zeolite Nature 374, 42 (1995) http://dx.doi.org/10.1038/374039a0

Computer simulations of vapour-liquid phase equilibria of n-alkanes

B. Smit, S. Karaborni, and J. I. Siepmann, Computer simulations of vapour-liquid phase equilibria of n-alkanes J. Chem. Phys. 102, 2126 (1995) http://dx.doi.org/10.1063/1.469563

Molecular simulations of thermodynamic properties: from argon to long-chain paraffins

B. Smit, Molecular simulations of thermodynamic properties: from argon to long-chain paraffins Ind. Eng. Chem. Res. 34, 4166 (1995) http://dx.doi.org/10.1021/ie00039a003

Simulating the adsorption isotherms of methane, ethane, and propane in the zeolite silicalite

B. Smit, Simulating the adsorption isotherms of methane, ethane, and propane in the zeolite silicalite J. Phys. Chem. 99, 5597 (1995) http://dx.doi.org/10.1021/j100015a050

Grand-canonical Monte Carlo simulations of chain molecules: Adsorption isotherms of alkanes in zeolites

B. Smit, Grand-canonical Monte Carlo simulations of chain molecules: Adsorption  isotherms of alkanes in zeolites Mol. Phys. 85, 153 (1995) http://dx.doi.org/10.1080/0026897950010101

Simulating complex fluids

K. Esselink, P. A. J. Hilbers, S. Karaborni, J. I. Siepmann, and B. Smit, Simulating complex fluids Mol. Sim. 14, 259 (1995) http://dx.doi.org/10.1080/08927029508022022

Parallel Monte Carlo simulations

K. Esselink, L. D. J. C. Loyens, and B. Smit, Parallel Monte Carlo simulations Phys. Rev. E 51, 1560 (1995) http://dx.doi.org/10.1103/PhysRevE.51.1560


Molecular simulations of the vapour-liquid coexistence curve of methanol

M. E. v. Leeuwen and B. Smit, Molecular simulations of the vapour-liquid coexistence curve of methanol J. Phys. Chem. 99, 1831 (1995) http://dx.doi.org/10.1021/j100007a006

Parallel Gibbs-ensemble simulations

L. D. J. C. Loyens, B. Smit, and K. Esselink, Parallel Gibbs-ensemble simulations Mol. Phys. 86, 171 (1995) http://dx.doi.org/10.1080/00268979500101921

The condition of microscopic reversibility in the Gibbs-ensemble Monte Carlo simulations of phase equilibria

L. F. Rull, G. Jackson, and B. Smit, The condition of microscopic reversibility in the Gibbs-ensemble Monte  Carlo simulations of phase equilibria Mol. Phys. 85, 435 (1995) http://dx.doi.org/10.1080/00268979500101231


1994

Computer simulations of the energetics and siting of n-alkanes in zeolites

B. Smit and J. I. Siepmann, Computer simulations of the energetics and siting of n-alkanes in zeolites J. Phys. Chem. 98, 8442 (1994) http://dx.doi.org/10.1021/j100085a027

Simulating the adsorption of alkanes in zeolites

B. Smit and J. I. Siepmann, Simulating the adsorption of alkanes in zeolites Science 264, 1118 (1994) http://dx.doi.org/10.1126/science.264.5162.1118

Free energies and phase equilibria of chain molecules

B. Smit, S. Karaborni, and J. I. Siepmann, Free energies and phase equilibria of chain molecules Macromol. Symp. 81, 343 (1994)

Models of micelle formation

N. M. v. Os, B. Smit, and S. Karaborni, Models of micelle formation Recl. Trav. Chim. Pays-Bas 113, 181 (1994) http://dx.doi.org/10.1002/recl.19941130404

Simulating the self-assembly of gemini surfactants

S. Karaborni, K. Esselink, P. A. J. Hilbers, B. Smit, J. Karthauser, N. M. v. Os, and R. Zana, Simulating the self-assembly of gemini surfactants Science 266, 254 (1994) http://dx.doi.org/10.1126/science.266.5183.254

Simulating surfactant self-assembly

S. Karaborni, K. Esselink, P. A. J. Hilbers, and B. Smit, Simulating surfactant self-assembly J. Phys.: Condens.  Matter 6, A351 (1994) http://dx.doi.org/10.1088/0953-8984/6/23A/058

Molecular dynamics simulations of model oil/water/surfactant systems

K. Esselink, P. A. J. Hilbers, N. M. v. Os, B. Smit, and S. Karaborni, Molecular dynamics simulations of model oil/water/surfactant systems Coll. and Surfaces A 91, 155 (1994) http://dx.doi.org/10.1016/0927-7757(94)02877-X


1993

Vapour-liquid equilibria of Stockmayer fluids: computer simulations and perturbation theory

M. E. van Leeuwen, B. Smit, and E. M. Hendriks, Vapour-liquid equilibria of Stockmayer fluids: computer simulations and perturbation theory Mol. Phys. 78, 271 (1993) http://dx.doi.org/10.1080/00268979300100231

What makes a polar fluid a liquid?

M. E. v. Leeuwen and B. Smit, What makes a polar fluid a liquid? Phys. Rev. Lett. 71, 3991 (1993) http://dx.doi.org/10.1103/PhysRevLett.71.3991

Efficient parallel implementation of molecular dynamics on a toroidal network: Part I Parallelizing Strategy

K. Esselink, B. Smit, and P. A. J. Hilbers, Efficient parallel implementation of molecular dynamics on a toroidal network: Part I Parallelizing Strategy J. Comp. Phys. 106, 101 (1993) http://dx.doi.org/10.1006/jcph.1993.1094

Surfactant adsorption at liquid/liquid interfaces: comparison of experimental results with SCF calculations and molecular dynamics simulations

N. M. v. Os, L. A. M. Rupert, B. Smit, P. A. J. Hilbers, K. Esselink, M. R. Bohmer, and L. K. Koopal, Surfactant adsorption at liquid/liquid interfaces: comparison of   experimental results with SCF calculations and molecular dynamics simulations

Simulating the critical properties of complex fluids

J. I. Siepmann, S. Karaborni, and B. Smit, Simulating the critical properties of complex fluids Nature 365, 330 (1993) http://dx.doi.org/10.1038/365330a0

Vapor-liquid equilibria of model alkanes

J. I. Siepmann, S. Karaborni, and B. Smit, Vapor-liquid equilibria of model alkanes J. Am. Chem. Soc. 115, 6454 (1993) http://dx.doi.org/10.1021/ja00067a088

Computer simulations in the Gibbs ensemble

B. Smit, Computer simulations in the Gibbs ensemble in Computer simulation in Chemical Physics, edited by M. P. Allen and D. J. Tildesley (Kluwer, Dordrecht, 1993), pp. 173.

Computer simulations of surfactants

B. Smit, Computer simulations of surfactants in Computer simulation in Chemical Physics, edited by M. P. Allen and D. J. Tildesley (Kluwer, Dordrecht, 1993), pp. 461.

Computer simulations of surfactant self-assembly

B. Smit, K. Esselink, P. A. J. Hilbers, N. M. v. Os, and I. Szleifer, Computer simulations of surfactant self-assembly Langmuir 9, 9 (1993) http://dx.doi.org/10.1021/la00025a003

Computer simulations of surfactant self assembly

B. Smit, P. A. J. Hilbers, and K. Esselink, Computer simulations of surfactant self assembly Int. J. of Mod. Phys C 4, 393 (1993) http://dx.doi.org/10.1142/S0129183193000422 

Computer simulations of simple oil/water/surfactant systems

B. Smit, P. A. J. Hilbers, and K. Esselink, Computer simulations of simple oil/water/surfactant systems Tenside Surf. Det. 30, 287 (1993)


1992

Electrostatic analogy for surfactant assemblies

D. Wu, D. Chandler, and B. Smit, Electrostatic analogy for surfactant assemblies J. Phys. Chem. 96, 4077 (1992) http://dx.doi.org/10.1021/j100189a030

Comment on "Determination of the chemical potential of polymeric systems from Monte Carlo simulations''

B. Smit, G. C. A. M. Mooij, and D. Frenkel, Comment on "Determination of the chemical potential of polymeric systems from Monte Carlo simulations'' Phys. Rev. Lett. 68, 3657 (1992) http://dx.doi.org/10.1103/PhysRevLett.68.3657

Computer simulations of surfactants at a liquid/liquid interface

B. Smit, P. A. J. Hilbers, and K. Esselink, Computer simulations of surfactants at a liquid/liquid interface in Structure and Dynamics of Strongly Interacting Colloids and Supramolecular Aggregates in Solution, edited by S.-H. a. H. Chen, J.S. and Tartaglia, P. …

Effect of a density-dependent potential on the phase behavior of fluids

B. Smit, T. Hauschild, and J. M. Prausnitz, Effect of a density-dependent potential on the phase behavior of fluids Mol. Phys. 77, 1021 (1992) http://dx.doi.org/10.1080/00268979200102971

Surfactants can be modelled: dynamical processes in micelles reproduced

B. Smit, Surfactants can be modelled: dynamical processes in micelles reproduced Europhys. News 23, 177 (1992)

Phase diagrams of Lennard-Jones fluids

B. Smit, Phase diagrams of Lennard-Jones fluids J. Chem. Phys. 96, 8639 (1992) http://dx.doi.org/10.1063/1.462271

A simple theory of weakly inhomogeneous fluids

A. G. Schlijper and B. Smit, A simple theory of weakly inhomogeneous fluids Fluid Phase Equilibria 76, 11 (1992) http://dx.doi.org/10.1016/0378-3812(92)85074-I

Molecular dynamics studies of polar/nonpolar fluid mixtures. II. Mixtures of Stockmayer and polarizable Lennard-Jones fluids

G. C. A. M. Mooij, S. W. d. Leeuw, B. Smit, and C. P. Williams, Molecular dynamics studies of polar/nonpolar fluid mixtures. II. Mixtures  of Stockmayer and polarizable Lennard-Jones fluids J. Chem. Phys. 97, 5113 (1992) http://dx.doi.org/10.1063/1.463833

Direct simulation of phase equilibria of chain molecules

G. C. A. M. Mooij, D. Frenkel, and B. Smit, Direct simulation of phase equilibria of chain molecules J. Phys.: Condens.  Matter 4, L255 (1992) http://dx.doi.org/10.1088/0953-8984/4/16/001

Unexpected length dependence of the solubility of chain molecules

D. Frenkel and B. Smit, Unexpected length dependence of the solubility of chain molecules Mol. Phys. 75, 983 (1992) http://dx.doi.org/10.1080/00268979200100761

Novel scheme to study structural and thermal properties of continuously deformable molecules

D. Frenkel, G. C. A. M. Mooij, and B. Smit, Novel scheme to study structural and thermal properties of continuously deformable molecules J. Phys.: Condens.  Matter 4, 3053 (1992) http://dx.doi.org/10.1088/0953-8984/4/12/006


1991

Structure of a water/oil interface in the presence of micelles: A computer simulation study

B. Smit, P. A. J. Hilbers, K. Esselink, L. A. M. Rupert, N. M. v. Os, and A. G. Schlijper, Structure of a water/oil interface in the presence of micelles: A computer simulation study

Vapour-liquid equilibria of the hard-core Yukawa fluid

B. Smit and D. Frenkel, Vapour-liquid equilibria of the hard-core Yukawa fluid Mol. Phys. 74, 35 (1991) http://dx.doi.org/10.1080/00268979100102031

Vapour-liquid equilibria of the two dimensional Lennard-Jones fluid(s)

B. Smit and D. Frenkel, Vapour-liquid equilibria of the two dimensional Lennard-Jones fluid(s) J. Chem. Phys. 94, 5663 (1991) http://dx.doi.org/10.1063/1.460477

Introduction to Zeolite Theory and Modelling

R. A. van Santen, D. P. de Bruyn, C. J. J. den Ouden, and B. Smit, "Introduction to Zeolite Theory and Modelling" in Introduction to Zeolite Science and Practice, edited by H. a. …

The mobility of adsorbed species in zeolites: Methane, ethane and propane diffusivities

A. K. Nowak, C. J. J. d. Ouden, S. D. Pickett, B. Smit, A. K. Cheetham, M. F. M. Post, and J. M. Thomas, The mobility of adsorbed species in zeolites: Methane, ethane and propane …


1990

Fluid-fluid phase separation in a Repulsive alpha-exp-6 mixture: A comparison with the full alpha-exp-6 mixture by means of computer simulations

A. de Kuiper, B. Smit, J. A. Schouten, and J. P. J. Michels, Fluid-fluid phase separation in a Repulsive alpha-exp-6 mixture: A comparison with the …

Molecular dynamics studies of polar/nonpolar fluid mixtures: I. Mixtures of Lennard-Jones and Stockmayer fluids

S. W. de Leeuw, B. Smit, and C. P. Williams, Molecular dynamics studies of polar/nonpolar fluid mixtures: I. Mixtures of Lennard-Jones and Stockmayer …

The mobility of adsorbed species in zeolites: A molecular dynamics simulation of xenon in silicalit

S. D. Pickett, A. K. Nowak, J. M. Thomas, B. K. Peterson, J. F. Swift, A. K. Cheetham, C. J. J. d. Ouden, B. Smit, and M. Post, The mobility of adsorbed …

A new local states method for the calculation of free energies in {Monte Carlo} simulations of lattice models

A. G. Schlijper, A. R. D. v. Bergen, and B. Smit, A new local states method for the calculation of free energies in {Monte   Carlo} simulations of lattice …

Computer Simulation of Phase Coexistence: from Atoms to Surfactants

B. Smit, Computer Simulation of Phase Coexistence: from Atoms to Surfactants (PhD thesis, Utrecht University), 1990.

The structure of the water/oil interface in the presence of micelles

B. Smit, P. A. J. Hilbers, K. Esselink, L. A. M. Rupert, N. M. v. Os, and A. G. Schlijper, The structure of the water/oil interface in the presence …

Effects of chain length of surfactants on the interfacial tension: Molecular dynamics simulations and experiments

B. Smit, A. G. Schlijper, L. A. M. Rupert, and N. M. v. Os, Effects of chain length of surfactants on the interfacial tension: Molecular dynamics simulations …

Vapour-liquid equilibria for quadrupolar Lennard-Jones fluids

B. Smit and C. P. Williams, Vapour-liquid equilibria for quadrupolar Lennard-Jones fluids J. Phys.: Condens.  Matter 2, 4281 (1990) http://dx.doi.org/…

Free energy computations of mixtures of Stockmayer and polerizable Lennard-Jones fluids

G. Mooij, S. W. D. Leeuw, C. P. Williams, and B. Smit, Free energy computations of mixtures of Stockmayer and polerizable Lennard-Jones fluids Mol. …



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