Molecular Simulation Study of Montmorillonite in Contact with Variably Wet Supercritical Carbon Dioxide

Ahmad Kadoura; Arun Kumar Narayanan Nair; Shuyu Sun

doi:10.1021/acs.jpcc.7b01027

Molecular Simulation Study of Montmorillonite in Contact with Variably Wet Supercritical Carbon Dioxide

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b01027 ◽

2017 ◽

Vol 121 (11) ◽

pp. 6199-6208 ◽

Cited By ~ 23

Author(s):

Ahmad Kadoura ◽

Arun Kumar Narayanan Nair ◽

Shuyu Sun

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Molecular Simulation ◽

Simulation Study ◽

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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A Computer Simulation Study on Self- and Cross-Aggregation of Multiple Polar Species in Supercritical Carbon Dioxide

The Journal of Physical Chemistry A ◽

10.1021/jp101092v ◽

2010 ◽

Vol 114 (16) ◽

pp. 5414-5428 ◽

Cited By ~ 3

Author(s):

Wenhao Xu ◽

Jichu Yang

Keyword(s):

Carbon Dioxide ◽

Computer Simulation ◽

Supercritical Carbon Dioxide ◽

Simulation Study ◽

Computer Simulation Study ◽

Polar Species ◽

Supercritical Carbon

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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 mixtures of supercritical carbon dioxide with methanol. A molecular dynamics simulation study

Chemical Physics Letters ◽

10.1016/s0009-2614(03)00640-7 ◽

2003 ◽

Vol 374 (1-2) ◽

pp. 187-193 ◽

Cited By ~ 25

Author(s):

Georgios Chatzis ◽

Jannis Samios

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Binary Mixtures ◽

Simulation Study ◽

Dynamics Simulation ◽

Supercritical Carbon

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Enhancement of supercritical carbon dioxide solubility models using molecular simulation data

Korean Journal of Chemical Engineering ◽

10.1007/s11814-021-0922-1 ◽

2022 ◽

Author(s):

Hojatollah Moradi ◽

Nariman Rezamandi ◽

Hedayat Azizpour ◽

Hossein Bahmanyar ◽

Kamran Keynejad ◽

...

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Molecular Simulation ◽

Simulation Data ◽

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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Prediction of binary phase behavior for supercritical carbon dioxide + 1-pentanol, 2-pentanone, 1-octene or ethylbenzene via molecular simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2017.06.074 ◽

2017 ◽

Vol 245 ◽

pp. 91-96 ◽

Cited By ~ 1

Author(s):

Michael T. Huber ◽

John M. Stubbs

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Phase Behavior ◽

Molecular Simulation ◽

Binary Phase ◽

Binary Phase Behavior ◽

Supercritical Carbon

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Numerical Simulation Study on Flow Characteristics of Supercritical Carbon Dioxide in a New Cleaning Chamber

Proceedings of the 5th International Conference on Advanced Design and Manufacturing Engineering ◽

10.2991/icadme-15.2015.51 ◽

2015 ◽

Author(s):

Guangya Jin ◽

Ya Wang ◽

Jiapeng Wang ◽

Songyang Zhu

Keyword(s):

Carbon Dioxide ◽

Numerical Simulation ◽

Supercritical Carbon Dioxide ◽

Simulation Study ◽

Flow Characteristics ◽

Supercritical Carbon

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Solvation Structure and Dynamics ofcis- andtrans-1,2 Dichloroethene Isomers in Supercritical Carbon Dioxide. A Molecular Dynamics Simulation Study.

The Journal of Physical Chemistry B ◽

10.1021/jp204202p ◽

2011 ◽

Vol 115 (42) ◽

pp. 12098-12107 ◽

Cited By ~ 11

Author(s):

Dimitris Dellis ◽

Ioannis Skarmoutsos ◽

Jannis Samios

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Solvation Structure ◽

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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