Microscopic Structure and Interaction Analysis for Supercritical Carbon Dioxide−Ethanol Mixtures: A Monte Carlo Simulation Study

Wenhao Xu; Jichu Yang; Yinyu Hu

doi:10.1021/jp810193b

Microscopic Structure and Interaction Analysis for Supercritical Carbon Dioxide−Ethanol Mixtures: A Monte Carlo Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp810193b ◽

2009 ◽

Vol 113 (14) ◽

pp. 4781-4789 ◽

Cited By ~ 20

Author(s):

Wenhao Xu ◽

Jichu Yang ◽

Yinyu Hu

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Supercritical Carbon Dioxide ◽

Simulation Study ◽

Interaction Analysis ◽

Microscopic Structure ◽

Monte Carlo Simulation Study ◽

Supercritical Carbon

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Binary phase behavior and aggregation of dilute methanol in supercritical carbon dioxide: A Monte Carlo simulation study

The Journal of Chemical Physics ◽

10.1063/1.1763842 ◽

2004 ◽

Vol 121 (3) ◽

pp. 1525-1534 ◽

Cited By ~ 40

Author(s):

John M. Stubbs ◽

J. Ilja Siepmann

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Supercritical Carbon Dioxide ◽

Phase Behavior ◽

Simulation Study ◽

Monte Carlo Simulation Study ◽

Binary Phase ◽

Binary Phase Behavior ◽

Supercritical Carbon

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Partial Molar Volume and Solvation Structure of Naphthalene in Supercritical Carbon Dioxide: A Monte Carlo Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp0502656 ◽

2005 ◽

Vol 109 (42) ◽

pp. 19885-19892 ◽

Cited By ~ 20

Author(s):

John M. Stubbs ◽

Dylan D. Drake-Wilhelm ◽

J. Ilja Siepmann

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Supercritical Carbon Dioxide ◽

Molar Volume ◽

Partial Molar Volume ◽

Simulation Study ◽

Monte Carlo Simulation Study ◽

Solvation Structure ◽

Supercritical Carbon

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Dielectric Constant and Density Dependence of the Structure of Supercritical Carbon Dioxide Using a New Modified Empirical Potential Model: A Monte Carlo Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp045741r ◽

2005 ◽

Vol 109 (27) ◽

pp. 13375-13382 ◽

Cited By ~ 41

Author(s):

Yang Zhang ◽

Jichu Yang ◽

Yang-Xin Yu

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Dielectric Constant ◽

Monte Carlo ◽

Supercritical Carbon Dioxide ◽

Density Dependence ◽

Simulation Study ◽

Potential Model ◽

Monte Carlo Simulation Study ◽

Empirical Potential

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Theoretical investigation of the enhanced solubility of perfluorobenzene in the supercritical carbon dioxide as a function of temperature and density by Monte Carlo simulation

Chemical Physics Letters ◽

10.1016/j.cplett.2007.06.116 ◽

2007 ◽

Vol 444 (1-3) ◽

pp. 48-55 ◽

Cited By ~ 5

Author(s):

Mohsen Tafazzoli ◽

Ali Khanlarkhani

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Supercritical Carbon Dioxide ◽

Theoretical Investigation ◽

Enhanced Solubility ◽

Supercritical Carbon

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Effects of Functional Group and Surface Roughness on Adsorption of Carbon Dioxide in Porous Glass by Grand Canonical Monte Carlo Simulation Study

The Journal of King Mongkut s University of Technology North Bangkok ◽

10.14416/j.kmutnb.2018.01.010 ◽

2018 ◽

Author(s):

Chontira Boonfung ◽

Niphat Ketprasoet ◽

Chaiyot Tangsathitkulchai ◽

Atichat Wongkoblap

Keyword(s):

Carbon Dioxide ◽

Surface Roughness ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Porous Glass ◽

Functional Group ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Grand Canonical

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Monte Carlo simulation of n-paraffins and higher alcohols in supercritical carbon dioxide

Fluid Phase Equilibria ◽

10.1016/0378-3812(95)02895-1 ◽

1996 ◽

Vol 116 (1-2) ◽

pp. 267-274 ◽

Cited By ~ 9

Author(s):

Y. Iwai ◽

Y. Koga ◽

Y. Arai

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Supercritical Carbon Dioxide ◽

Higher Alcohols ◽

Supercritical Carbon

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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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Monte Carlo Simulation of Supercritical Carbon Dioxide Adsorption in Carbon Slit Pores

Energy & Fuels ◽

10.1021/acs.energyfuels.7b01344 ◽

2017 ◽

Vol 31 (9) ◽

pp. 9717-9724 ◽

Cited By ~ 13

Author(s):

Shuaiwei Gu ◽

Beibei Gao ◽

Lin Teng ◽

Yuxing Li ◽

Chunyan Fan ◽

...

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Supercritical Carbon Dioxide ◽

Carbon Dioxide Adsorption ◽

Slit Pores ◽

Carbon Slit Pores ◽

Supercritical Carbon

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Monte Carlo simulation for solubility and spatial structure of fatty acid and higher alcohol in supercritical carbon dioxide with octane

Fluid Phase Equilibria ◽

10.1016/s0378-3812(96)03215-3 ◽

1997 ◽

Vol 131 (1-2) ◽

pp. 83-96 ◽

Cited By ~ 10

Author(s):

Y. Koga ◽

Y. Iwai ◽

M. Yamamoto ◽

Y. Arai

Keyword(s):

Carbon Dioxide ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Fatty Acid ◽

Supercritical Carbon Dioxide ◽

Spatial Structure ◽

Higher Alcohol ◽

Supercritical Carbon

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Microscopic Structure and Solubility Predictions of Multifunctional Solids in Supercritical Carbon Dioxide: A Molecular Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.6b12390 ◽

2017 ◽

Vol 121 (7) ◽

pp. 1660-1674 ◽

Cited By ~ 12

Author(s):

Javad Noroozi ◽

Andrew S. Paluch

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Molecular Simulation ◽

Simulation Study ◽

Microscopic Structure ◽

Solubility Predictions ◽

Supercritical Carbon

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