Molecular Simulation Study of Interactions of Carbon Dioxide and Water with Ionic Liquids

Johnny Deschamps; Margarida F. Costa Gomes; Agílio A. H. Pádua

doi:10.1002/cphc.200400097

Molecular Simulation Study of Interactions of Carbon Dioxide and Water with Ionic Liquids

ChemPhysChem ◽

10.1002/cphc.200400097 ◽

2004 ◽

Vol 5 (7) ◽

pp. 1049-1052 ◽

Cited By ~ 65

Author(s):

Johnny Deschamps ◽

Margarida F. Costa Gomes ◽

Agílio A. H. Pádua

Keyword(s):

Carbon Dioxide ◽

Ionic Liquids ◽

Molecular Simulation ◽

Simulation Study

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Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane

Energy & Fuels ◽

10.1021/acs.energyfuels.1c00888 ◽

2021 ◽

Author(s):

Srikanth Ravipati ◽

Mirella Simoes Santos ◽

Ioannis G. Economou ◽

Amparo Galindo ◽

George Jackson ◽

...

Keyword(s):

Carbon Dioxide ◽

Monte Carlo ◽

Molecular Simulation ◽

Simulation Study ◽

Carbon Dioxide Sequestration

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Improving Carbon Dioxide Storage Capacity of Metal Organic Frameworks by Lithium Alkoxide Functionalization: A Molecular Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b01119 ◽

2016 ◽

Vol 120 (19) ◽

pp. 10311-10319 ◽

Cited By ~ 30

Author(s):

Jianbo Hu ◽

Jing Liu ◽

Yang Liu ◽

Xiao Yang

Keyword(s):

Carbon Dioxide ◽

Molecular Simulation ◽

Simulation Study ◽

Storage Capacity ◽

Metal Organic Frameworks ◽

Carbon Dioxide Storage ◽

Metal Organic

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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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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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An Experimental and Molecular Simulation Study of the Adsorption of Carbon Dioxide and Methane in Nanoporous Carbons in the Presence of Water

Langmuir ◽

10.1021/la103107t ◽

2011 ◽

Vol 27 (3) ◽

pp. 1015-1024 ◽

Cited By ~ 76

Author(s):

Pierre Billemont ◽

Benoit Coasne ◽

Guy De Weireld

Keyword(s):

Carbon Dioxide ◽

Molecular Simulation ◽

Simulation Study ◽

Nanoporous Carbons

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Adsorption and Diffusion of Methane and Carbon Dioxide in Amorphous Regions of Cross-Linked Polyethylene: A Molecular Simulation Study

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.9b00690 ◽

2019 ◽

Vol 58 (19) ◽

pp. 8426-8436 ◽

Cited By ~ 9

Author(s):

Yafan Yang ◽

Arun Kumar Narayanan Nair ◽

Shuyu Sun

Keyword(s):

Carbon Dioxide ◽

Molecular Simulation ◽

Simulation Study ◽

And Diffusion

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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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Mechanistic understanding of interactions between cellulose and ionic liquids: A molecular simulation study

Polymer ◽

10.1016/j.polymer.2011.10.035 ◽

2011 ◽

Vol 52 (25) ◽

pp. 5904-5911 ◽

Cited By ~ 41

Author(s):

Krishna M. Gupta ◽

Zhongqiao Hu ◽

Jianwen Jiang

Keyword(s):

Ionic Liquids ◽

Molecular Simulation ◽

Simulation Study ◽

Mechanistic Understanding

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What Determines CO2 Solubility in Ionic Liquids? A Molecular Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b03674 ◽

2015 ◽

Vol 119 (31) ◽

pp. 10066-10078 ◽

Cited By ~ 58

Author(s):

Marco Klähn ◽

Abirami Seduraman

Keyword(s):

Ionic Liquids ◽

Molecular Simulation ◽

Simulation Study ◽

Co2 Solubility

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Amphiphilic interactions of ionic liquids with lipid biomembranes: a molecular simulation study

Soft Matter ◽

10.1039/c4sm01528b ◽

2014 ◽

Vol 10 (43) ◽

pp. 8641-8651 ◽

Cited By ~ 75

Author(s):

Brian Yoo ◽

Jindal K. Shah ◽

Yingxi Zhu ◽

Edward J. Maginn

Keyword(s):

Ionic Liquids ◽

Molecular Simulation ◽

Simulation Study

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