Molecular Dynamics Simulation of Hydration and Swelling of Mixed-Layer Clays in the Presence of Carbon Dioxide

Mahsa Rahromostaqim; Muhammad Sahimi

doi:10.1021/acs.jpcc.8b11589

Molecular Dynamics Simulation of Hydration and Swelling of Mixed-Layer Clays in the Presence of Carbon Dioxide

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b11589 ◽

2019 ◽

Vol 123 (7) ◽

pp. 4243-4255 ◽

Cited By ~ 10

Author(s):

Mahsa Rahromostaqim ◽

Muhammad Sahimi

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Mixed Layer ◽

Dynamics Simulation

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Molecular dynamics simulation of carbon dioxide in single-walled carbon nanotubes in the presence of water: structure and diffusion studies

Molecular Physics ◽

10.1080/00268976.2015.1005190 ◽

2015 ◽

Vol 113 (9-10) ◽

pp. 1124-1136 ◽

Cited By ~ 15

Author(s):

Martin Svoboda ◽

John K. Brennan ◽

Martin Lísal

Keyword(s):

Carbon Dioxide ◽

Carbon Nanotubes ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Water Structure ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Diffusion Studies ◽

Walled Carbon Nanotubes ◽

And Diffusion

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Local intermolecular structure and dynamics in binary supercritical solutions. A molecular dynamics simulation study of methane in carbon dioxide

Journal of Molecular Liquids ◽

10.1016/j.molliq.2005.11.023 ◽

2006 ◽

Vol 125 (2-3) ◽

pp. 181-186 ◽

Cited By ~ 15

Author(s):

Ioannis Skarmoutsos ◽

Jannis Samios

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Supercritical Solutions

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Molecular dynamics simulation of carbon dioxide diffusion in NaA zeolite: assessment of surface effects and evaluation of bulk-like properties

Physical Chemistry Chemical Physics ◽

10.1039/d0cp04189k ◽

2020 ◽

Vol 22 (39) ◽

pp. 22529-22536

Author(s):

Sofia O. Slavova ◽

Anastasia A. Sizova ◽

Vladimir V. Sizov

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Surface Effects ◽

Dynamics Simulation ◽

Naa Zeolite ◽

Lta Zeolite ◽

And Diffusion ◽

Diffusion Activation

Simulation study of surface effects and diffusion in CO2-loaded cationic LTA zeolite produced CO2 and Na+ diffusion activation energies.

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Impregnation of Poly(methyl methacrylate) with Carbamazepine in Supercritical Carbon Dioxide: Molecular Dynamics Simulation

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c05657 ◽

2020 ◽

Vol 124 (38) ◽

pp. 8410-8417

Author(s):

Darya L. Gurina ◽

Yury A. Budkov ◽

Mikhail G. Kiselev

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Methyl Methacrylate ◽

Dynamics Simulation ◽

Poly Methyl Methacrylate ◽

Supercritical Carbon

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Molecular dynamics simulation of the interaction between dense-phase carbon dioxide and the myosin heavy chain

Journal of CO2 Utilization ◽

10.1016/j.jcou.2017.07.025 ◽

2017 ◽

Vol 21 ◽

pp. 270-279 ◽

Cited By ~ 4

Author(s):

Shucheng Liu ◽

Yuan Liu ◽

Shuai Luo ◽

Andi Dong ◽

Mengna Liu ◽

...

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Myosin Heavy Chain ◽

Heavy Chain ◽

Dynamics Simulation ◽

Dense Phase

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Study on the Phase Behavior and Molecular Dynamics Simulation of a Supercritical Carbon Dioxide Microemulsion Containing Ionic Liquid

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.7b00452 ◽

2017 ◽

Vol 56 (13) ◽

pp. 3733-3739 ◽

Cited By ~ 7

Author(s):

Hong-Rui Ren ◽

Xiang-Dong Liang ◽

Dan Zhou ◽

Jian-Zhong Yin

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Phase Behavior ◽

Dynamics Simulation ◽

Supercritical Carbon

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Calculation of diffusion coefficients for carbon dioxide + solute system near the critical conditions by non-equilibrium molecular dynamics simulation

Fluid Phase Equilibria ◽

10.1016/j.fluid.2004.01.014 ◽

2004 ◽

Vol 219 (1) ◽

pp. 55-60 ◽

Cited By ~ 3

Author(s):

Hidenori Higashi ◽

Tsuyoshi Oda ◽

Yoshio Iwai ◽

Yasuhiko Arai

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Diffusion Coefficients ◽

Dynamics Simulation ◽

Critical Conditions ◽

Non Equilibrium Molecular Dynamics ◽

Non Equilibrium

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Molecular dynamics simulation of fluorination effect for solvation of trifluoromethylbenzoic acid isomers in supercritical carbon dioxide

Molecular Simulation ◽

10.1080/08927020500183299 ◽

2005 ◽

Vol 31 (10) ◽

pp. 725-730 ◽

Cited By ~ 5

Author(s):

H. Higashi ◽

Y. Iwai ◽

K. Miyazaki ◽

Y. Arai

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Dynamics Simulation ◽

Supercritical Carbon

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Molecular Dynamics Simulation of Reverse Micelles in Supercritical Carbon Dioxide

Industrial & Engineering Chemistry Research ◽

10.1021/ie000144m ◽

2000 ◽

Vol 39 (12) ◽

pp. 4543-4554 ◽

Cited By ~ 18

Author(s):

Sumeet Salaniwal ◽

Shengting Cui ◽

Hank D. Cochran ◽

Peter T. Cummings

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Reverse Micelles ◽

Dynamics Simulation ◽

Supercritical Carbon

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Molecular dynamics simulation of vibrational energy relaxation of highly excited molecules in fluids. III. Equilibrium simulations of vibrational energy relaxation of azulene in carbon dioxide

The Journal of Chemical Physics ◽

10.1063/1.480135 ◽

1999 ◽

Vol 111 (17) ◽

pp. 8022-8033 ◽

Cited By ~ 7

Author(s):

C. Heidelbach ◽

V. S. Vikhrenko ◽

D. Schwarzer ◽

I. I. Fedchenia ◽

J. Schroeder

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Vibrational Energy ◽

Energy Relaxation ◽

Dynamics Simulation ◽

Vibrational Energy Relaxation ◽

Excited Molecules

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