Application of force field in Gibbs ensemble lattice statistics to model vapor/liquid equilibria

Steven G. Arturo; Dana E. Knox

doi:10.1016/j.fluid.2006.12.009

Application of force field in Gibbs ensemble lattice statistics to model vapor/liquid equilibria

Fluid Phase Equilibria ◽

10.1016/j.fluid.2006.12.009 ◽

2007 ◽

Vol 252 (1-2) ◽

pp. 175-188 ◽

Cited By ~ 2

Author(s):

Steven G. Arturo ◽

Dana E. Knox

Keyword(s):

Force Field ◽

Gibbs Ensemble ◽

Lattice Statistics ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text

Vapor-liquid equilibria for pure substances by Gibbs ensemble simulation of Stockmayer potential molecules

Fluid Phase Equilibria ◽

10.1016/s0378-3812(97)00087-3 ◽

1997 ◽

Vol 137 (1-2) ◽

pp. 87-98 ◽

Cited By ~ 8

Author(s):

Guangtu Gao ◽

Wenchuan Wang ◽

X.C. Zeng

Keyword(s):

Gibbs Ensemble ◽

Ensemble Simulation ◽

Pure Substances ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text

Configurational bias Gibbs ensemble Monte Carlo simulation of vapor-liquid equilibria of linear and short-branched alkanes

Fluid Phase Equilibria ◽

10.1016/s0378-3812(97)00209-4 ◽

1997 ◽

Vol 141 (1-2) ◽

pp. 45-61 ◽

Cited By ~ 35

Author(s):

S.T. Cui ◽

P.T. Cummings ◽

H.D. Cochran

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Gibbs Ensemble ◽

Ensemble Monte Carlo ◽

Branched Alkanes ◽

Ensemble Monte Carlo Simulation ◽

Gibbs Ensemble Monte Carlo ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text

Vapor–liquid equilibria of alternative refrigerants and their binaries by molecular simulations employing the reaction Gibbs ensemble Monte Carlo method

Fluid Phase Equilibria ◽

10.1016/j.fluid.2004.06.047 ◽

2004 ◽

Vol 222-223 ◽

pp. 213-220 ◽

Cited By ~ 9

Author(s):

R. Budinský ◽

V. Vacek ◽

M. Lı́sal

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Molecular Simulations ◽

Gibbs Ensemble ◽

Alternative Refrigerants ◽

Ensemble Monte Carlo ◽

Gibbs Ensemble Monte Carlo ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text

Lattice statistics for size, clustering and dissociation with example applications in vapor—liquid equilibria

Chemical Engineering Science ◽

10.1016/0009-2509(94)e0073-y ◽

1994 ◽

Vol 49 (15) ◽

pp. 2423-2435 ◽

Cited By ~ 4

Author(s):

Gregory M. Martinez

Keyword(s):

Lattice Statistics ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text

Vapor Liquid Equilibria for Acetic Acid–Acetaldehyde–Crotonaldehyde System: Gibbs Ensemble Molecular Simulation for Pure Components and Binary Systems and NRTL Model Prediction for Ternary System

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.7b04688 ◽

2018 ◽

Vol 57 (6) ◽

pp. 2353-2364 ◽

Cited By ~ 2

Author(s):

Minhua Zhang ◽

Lihang Chen ◽

Huaming Yang ◽

Jing Ma

Keyword(s):

Acetic Acid ◽

Ternary System ◽

Molecular Simulation ◽

Model Prediction ◽

Binary Systems ◽

Gibbs Ensemble ◽

Nrtl Model ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text

Molecular simulation of the vapor-liquid equilibria of xylene mixtures: Force field performance, and Wolf vs. Ewald for electrostatic interactions

Fluid Phase Equilibria ◽

10.1016/j.fluid.2018.12.006 ◽

2019 ◽

Vol 485 ◽

pp. 239-247 ◽

Cited By ~ 5

Author(s):

Sebastián Caro-Ortiz ◽

Remco Hens ◽

Erik Zuidema ◽

Marcello Rigutto ◽

David Dubbeldam ◽

...

Keyword(s):

Force Field ◽

Molecular Simulation ◽

Electrostatic Interactions ◽

Field Performance ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text

An Optimized Force Field for Vapor–Liquid Equilibria and Molecular Dynamics Simulations of Eco-Friendly Dielectric Fluid Perfluoronitriles

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.1c01786 ◽

2021 ◽

Author(s):

Hua Hou ◽

Baoshan Wang

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Dielectric Fluid ◽

Vapor Liquid Equilibria ◽

Dynamics Simulations ◽

Vapor Liquid

Download Full-text

Interatomic Lennard-Jones potentials of linear and branched alkanes calibrated by Gibbs ensemble simulations for vapor-liquid equilibria

The Journal of Chemical Physics ◽

10.1063/1.1792572 ◽

2004 ◽

Vol 121 (15) ◽

pp. 7474-7483 ◽

Cited By ~ 22

Author(s):

Jaeeon Chang ◽

Stanley I. Sandler

Keyword(s):

Gibbs Ensemble ◽

Lennard Jones ◽

Ensemble Simulations ◽

Branched Alkanes ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text

All-Atom Force Field for the Prediction of Vapor−Liquid Equilibria and Interfacial Properties of HFA134a

The Journal of Physical Chemistry B ◽

10.1021/jp806213w ◽

2009 ◽

Vol 113 (1) ◽

pp. 178-187 ◽

Cited By ~ 31

Author(s):

Robson P. S. Peguin ◽

Ganesh Kamath ◽

Jeffrey J. Potoff ◽

Sandro R. P. da Rocha

Keyword(s):

Force Field ◽

Interfacial Properties ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text

Vapor−Liquid Equilibria of Binary and Ternary Mixtures Containing Methane, Ethane, and Carbon Dioxide from Gibbs Ensemble Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp980094n ◽

1998 ◽

Vol 102 (39) ◽

pp. 7627-7631 ◽

Cited By ~ 21

Author(s):

Anping Liu ◽

Thomas L. Beck

Keyword(s):

Carbon Dioxide ◽

Ternary Mixtures ◽

Gibbs Ensemble ◽

Ensemble Simulations ◽

Binary And Ternary Mixtures ◽

Vapor Liquid Equilibria ◽

Vapor Liquid

Download Full-text