Using Monte Carlo Simulation to Compute Liquid–Vapor Saturation Properties of Ionic Liquids

Kaustubh S. Rane; Jeffrey R. Errington

doi:10.1021/jp404207x

Using Monte Carlo Simulation to Compute Liquid–Vapor Saturation Properties of Ionic Liquids

The Journal of Physical Chemistry B ◽

10.1021/jp404207x ◽

2013 ◽

Vol 117 (26) ◽

pp. 8018-8030 ◽

Cited By ~ 22

Author(s):

Kaustubh S. Rane ◽

Jeffrey R. Errington

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Ionic Liquids ◽

Saturation Properties ◽

Liquid Vapor

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Monte Carlo Simulation Methods for Computing Liquid–Vapor Saturation Properties of Model Systems

Journal of Chemical Theory and Computation ◽

10.1021/ct400074p ◽

2013 ◽

Vol 9 (6) ◽

pp. 2552-2566 ◽

Cited By ~ 67

Author(s):

Kaustubh S. Rane ◽

Sabharish Murali ◽

Jeffrey R. Errington

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Model Systems ◽

Simulation Methods ◽

Saturation Properties ◽

Liquid Vapor

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Calculation of the Saturation Properties of a Model Octane–Water System Using Monte Carlo Simulation

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.8b01411 ◽

2018 ◽

Vol 122 (23) ◽

pp. 6260-6271 ◽

Cited By ~ 4

Author(s):

Wenjing Guo ◽

Prannay Bali ◽

Jeffrey R. Errington

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Water System ◽

Saturation Properties

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Configurational evidence for antiferromagnetic interaction in disordered magnetic ionic liquids by X-ray scattering-aided hybrid reverse Monte Carlo simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.113321 ◽

2020 ◽

Vol 311 ◽

pp. 113321

Author(s):

Ryusuke Futamura ◽

Yuma Takasaki ◽

Hayato Otsuka ◽

Sumio Ozeki ◽

Katsumi Kaneko ◽

...

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Ionic Liquids ◽

Antiferromagnetic Interaction ◽

Reverse Monte Carlo ◽

X Ray ◽

Magnetic Ionic Liquids ◽

X Ray Scattering ◽

Reverse Monte Carlo Simulation ◽

Disordered Magnetic

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Investigation on the Solubility of SO2and CO2in Imidazolium-Based Ionic Liquids Using NPT Monte Carlo Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp2051239 ◽

2011 ◽

Vol 115 (46) ◽

pp. 13599-13607 ◽

Cited By ~ 54

Author(s):

Ahmadreza. F. Ghobadi ◽

Vahid Taghikhani ◽

J. Richard Elliott

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Ionic Liquids

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Gibbs-ensemble Monte Carlo simulation for the liquid-vapor coexistence of alkali fluids

Journal of Non-Crystalline Solids ◽

10.1016/s0022-3093(96)00386-9 ◽

1996 ◽

Vol 205-207 ◽

pp. 897-900 ◽

Cited By ~ 1

Author(s):

E. Velasco ◽

J.P. Hernandez ◽

P. Tarazona ◽

E. Chacón

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Gibbs Ensemble ◽

Ensemble Monte Carlo ◽

Ensemble Monte Carlo Simulation ◽

Gibbs Ensemble Monte Carlo ◽

Liquid Vapor

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A Monte Carlo Simulation Study To Predict the Solubility of Carbon Dioxide, Hydrogen, and Their Mixture in the Ionic Liquids 1-Alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide ([Cnmim+][Tf2N–], n = 4, 6)

Industrial & Engineering Chemistry Research ◽

10.1021/ie503086z ◽

2014 ◽

Vol 54 (16) ◽

pp. 4385-4395 ◽

Cited By ~ 16

Author(s):

Ramesh Singh ◽

Eliseo Marin-Rimoldi ◽

Edward J. Maginn

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Ionic Liquids ◽

Simulation Study ◽

Monte Carlo Simulation Study

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Studies of Liquid−Vapor Equilibria, Criticality, and Spinodal Transitions in Nanopores by the Gauge Cell Monte Carlo Simulation Method

The Journal of Physical Chemistry B ◽

10.1021/jp003994o ◽

2001 ◽

Vol 105 (29) ◽

pp. 7009-7020 ◽

Cited By ~ 87

Author(s):

Aleksey Vishnyakov ◽

Alexander V. Neimark

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Method ◽

Monte Carlo Simulation Method ◽

Liquid Vapor

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Direct calculation of liquid–vapor phase equilibria from transition matrix Monte Carlo simulation

The Journal of Chemical Physics ◽

10.1063/1.1572463 ◽

2003 ◽

Vol 118 (22) ◽

pp. 9915-9925 ◽

Cited By ~ 209

Author(s):

Jeffrey R. Errington

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Phase Equilibria ◽

Vapor Phase ◽

Transition Matrix ◽

Direct Calculation ◽

Liquid Vapor

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A new reverse Monte Carlo simulation code combined with molecular mechanics simulation (RMC–MM) for molecular and ionic liquids

Journal of Molecular Liquids ◽

10.1016/j.molliq.2009.03.007 ◽

2009 ◽

Vol 147 (3) ◽

pp. 182-185 ◽

Cited By ~ 11

Author(s):

Hidetoshi Morita ◽

Shinji Kohara ◽

Takeshi Usuki

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Ionic Liquids ◽

Molecular Mechanics ◽

Reverse Monte Carlo ◽

Simulation Code ◽

Reverse Monte Carlo Simulation

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Self‐consistent Monte Carlo simulation of the electron and ion distributions in the liquid–vapor interface of magnesium

The Journal of Chemical Physics ◽

10.1063/1.468236 ◽

1994 ◽

Vol 101 (9) ◽

pp. 8094-8097 ◽

Cited By ~ 24

Author(s):

M. A. Gomez ◽

Stuart A. Rice

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Vapor Interface ◽

Ion Distributions ◽

Self Consistent ◽

Liquid Vapor

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