Exploring Multicomponent Phase Equilibria by Monte Carlo Simulations: Toward a Description of Gas-Liquid Chromatography

ACS Symposium Series - Unified Chromatography ◽

10.1021/bk-2000-0748.ch006 ◽

1999 ◽

pp. 82-95

Author(s):

Marcus G. Martin ◽

J. Ilja Siepmann ◽

Mark R. Schure

Keyword(s):

Monte Carlo ◽

Liquid Chromatography ◽

Phase Equilibria ◽

Monte Carlo Simulations ◽

Gas Liquid Chromatography

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Large-Scale Monte Carlo Simulations for Aggregation, Self-Assembly, and Phase Equilibria

Multiscale Simulation Methods for Nanomaterials ◽

10.1002/9780470191675.ch11 ◽

2008 ◽

pp. 189-199

Author(s):

Jake L. Rafferty ◽

Ling Zhang ◽

Nikolaj D. Zhuravlev ◽

Kelly E. Anderson ◽

Becky L. Eggimann ◽

...

Keyword(s):

Monte Carlo ◽

Phase Equilibria ◽

Monte Carlo Simulations ◽

Self Assembly ◽

Large Scale

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

Molecular Physics ◽

10.1080/00268979500101231 ◽

1995 ◽

Vol 85 (3) ◽

pp. 435-447 ◽

Cited By ~ 18

Author(s):

Luis F. Rull ◽

George Jackson ◽

Berend Smit

Keyword(s):

Monte Carlo ◽

Phase Equilibria ◽

Monte Carlo Simulations ◽

Gibbs Ensemble ◽

Microscopic Reversibility ◽

Ensemble Monte Carlo ◽

Gibbs Ensemble Monte Carlo

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Phase equilibria and structural properties of thiophene/[Bmim][BF4]: A molecular insight from monte carlo simulations

AIChE Journal ◽

10.1002/aic.14566 ◽

2014 ◽

Vol 60 (11) ◽

pp. 3916-3924 ◽

Cited By ~ 5

Author(s):

Yongping Zeng ◽

Chunfeng Wang ◽

Junmei Hu ◽

WenLin Xu ◽

Yueyang Xu ◽

...

Keyword(s):

Monte Carlo ◽

Phase Equilibria ◽

Monte Carlo Simulations ◽

Structural Properties

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Monte Carlo simulations of phase equilibria and microstructure of thiophene/[Bmim][PF6]/CO2

Chemical Engineering Science ◽

10.1016/j.ces.2016.04.034 ◽

2016 ◽

Vol 149 ◽

pp. 88-96 ◽

Cited By ~ 1

Author(s):

Yongping Zeng ◽

Jie Jin ◽

Chunfeng Wang ◽

Yueyang Xu ◽

Jilong Wang ◽

...

Keyword(s):

Monte Carlo ◽

Phase Equilibria ◽

Monte Carlo Simulations

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Grand canonical Monte Carlo simulations of phase equilibria of pure silicon tetrachloride and its binary mixture with carbon dioxide

Molecular Physics ◽

10.1080/00268970310001624524 ◽

2003 ◽

Vol 101 (21) ◽

pp. 3213-3221 ◽

Cited By ~ 6

Author(s):

O. M. SULEIMENOV ◽

A. Z. PANAGIOTOPOULOS ◽

T. M. SEWARD

Keyword(s):

Carbon Dioxide ◽

Monte Carlo ◽

Binary Mixture ◽

Phase Equilibria ◽

Monte Carlo Simulations ◽

Silicon Tetrachloride ◽

Grand Canonical Monte Carlo ◽

Pure Silicon ◽

Grand Canonical

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Gibbs ensemble Monte Carlo simulations for the liquid–liquid phase equilibria of dipropylene glycol dimethyl ether and water: A preliminary report

Fluid Phase Equilibria ◽

10.1016/j.fluid.2011.06.003 ◽

2011 ◽

Vol 310 (1-2) ◽

pp. 11-18 ◽

Cited By ~ 16

Author(s):

Peng Bai ◽

J. Ilja Siepmann

Keyword(s):

Monte Carlo ◽

Liquid Phase ◽

Phase Equilibria ◽

Monte Carlo Simulations ◽

Dimethyl Ether ◽

Preliminary Report ◽

Gibbs Ensemble ◽

Ensemble Monte Carlo ◽

Gibbs Ensemble Monte Carlo ◽

Dipropylene Glycol

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Gibbs-Ensemble Monte Carlo Simulations of Phase Equilibria in Supercritical Fluid Mixtures

ACS Symposium Series - Supercritical Fluid Science and Technology ◽

10.1021/bk-1989-0406.ch004 ◽

1989 ◽

pp. 39-51 ◽

Cited By ~ 10

Author(s):

A. Z. Panagiotopoulos

Keyword(s):

Monte Carlo ◽

Phase Equilibria ◽

Monte Carlo Simulations ◽

Supercritical Fluid ◽

Gibbs Ensemble ◽

Fluid Mixtures ◽

Ensemble Monte Carlo ◽

Gibbs Ensemble Monte Carlo

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Non-empirical phase equilibria in the Cr–Mo system: A combination of first-principles calculations, cluster expansion and Monte Carlo simulations

Solid State Sciences ◽

10.1016/j.solidstatesciences.2015.01.012 ◽

2015 ◽

Vol 41 ◽

pp. 19-24 ◽

Cited By ~ 7

Author(s):

Wenzhou Chen ◽

Guanglong Xu ◽

Ignacio Martin-Bragado ◽

Yuwen Cui

Keyword(s):

Monte Carlo ◽

Phase Equilibria ◽

Monte Carlo Simulations ◽

Cluster Expansion ◽

First Principles ◽

First Principles Calculations ◽

System A

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The effects of chain length, embedded polar groups, pressure, and pore shape on structure and retention in reversed-phase liquid chromatography: Molecular-level insights from Monte Carlo simulations

Journal of Chromatography A ◽

10.1016/j.chroma.2008.12.088 ◽

2009 ◽

Vol 1216 (12) ◽

pp. 2320-2331 ◽

Cited By ~ 51

Author(s):

Jake L. Rafferty ◽

J.Ilja Siepmann ◽

Mark.R. Schure

Keyword(s):

Monte Carlo ◽

Liquid Chromatography ◽

Monte Carlo Simulations ◽

Chain Length ◽

Molecular Level ◽

Reversed Phase ◽

Pore Shape ◽

Reversed Phase Liquid Chromatography ◽

Polar Groups ◽

Phase Liquid

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Monte Carlo simulations of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB): Pressure and temperature effects for the solid phase and vapor-liquid phase equilibria

The Journal of Chemical Physics ◽

10.1063/1.3006054 ◽

2008 ◽

Vol 129 (19) ◽

pp. 194510 ◽

Cited By ~ 28

Author(s):

Neeraj Rai ◽

Divesh Bhatt ◽

J. Ilja Siepmann ◽

Laurence E. Fried

Keyword(s):

Monte Carlo ◽

Liquid Phase ◽

Phase Equilibria ◽

Monte Carlo Simulations ◽

Temperature Effects ◽

Solid Phase ◽

Pressure And Temperature Effects ◽

Vapor Liquid

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