Molecular dynamics simulation of diffusion coefficients and structural properties of some alkylbenzenes in supercritical carbon dioxide at infinite dilution

Jinyang Wang; Haimin Zhong; Huajie Feng; Wenda Qiu; Liuping Chen

doi:10.1063/1.4867274

Molecular dynamics simulation of diffusion coefficients and structural properties of some alkylbenzenes in supercritical carbon dioxide at infinite dilution

The Journal of Chemical Physics ◽

10.1063/1.4867274 ◽

2014 ◽

Vol 140 (10) ◽

pp. 104501 ◽

Cited By ~ 17

Author(s):

Jinyang Wang ◽

Haimin Zhong ◽

Huajie Feng ◽

Wenda Qiu ◽

Liuping Chen

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Structural Properties ◽

Diffusion Coefficients ◽

Infinite Dilution ◽

Dynamics Simulation ◽

Supercritical Carbon

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Molecular Dynamics Simulation of the Diffusion Coefficients of Anthraquinone in Poly(Methyl Methacrylate) Swollen by Supercritical Carbon Dioxide

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN ◽

10.1252/jcej.21we023 ◽

2021 ◽

Vol 54 (8) ◽

pp. 417-423

Author(s):

Yoshio Iwai ◽

Kai Nishiyama

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Methyl Methacrylate ◽

Diffusion Coefficients ◽

Dynamics Simulation ◽

Poly Methyl Methacrylate ◽

Supercritical Carbon

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Comparison of molecular models used in molecular dynamics simulation for tracer diffusion coefficients of naphthalene and dimethylnaphthalene isomers in supercritical carbon dioxide

Fluid Phase Equilibria ◽

10.1016/j.fluid.2005.05.013 ◽

2005 ◽

Vol 234 (1-2) ◽

pp. 51-55 ◽

Cited By ~ 11

Author(s):

Hidenori Higashi ◽

Yoshio Iwai ◽

Yasuhiko Arai

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Diffusion Coefficients ◽

Tracer Diffusion ◽

Dynamics Simulation ◽

Molecular Models ◽

Tracer Diffusion Coefficients ◽

Supercritical Carbon

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Molecular dynamics simulation of diffusion coefficients of naphthalene and 2-naphthol in supercritical carbon dioxide

Fluid Phase Equilibria ◽

10.1016/s0378-3812(96)03139-1 ◽

1997 ◽

Vol 127 (1-2) ◽

pp. 251-261 ◽

Cited By ~ 37

Author(s):

Yoshio Iwai ◽

Hidenori Higashi ◽

Hirohisa Uchida ◽

Yasuhiko Arai

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Diffusion Coefficients ◽

Dynamics Simulation ◽

Supercritical Carbon

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Molecular Dynamics Simulation of Diffusion and Structure of Some n-Alkanes in near Critical and Supercritical Carbon Dioxide at Infinite Dilution

The Journal of Physical Chemistry B ◽

10.1021/jp401824d ◽

2013 ◽

Vol 117 (41) ◽

pp. 12525-12534 ◽

Cited By ~ 18

Author(s):

Huajie Feng ◽

Wei Gao ◽

Zhenfan Sun ◽

Bingxin Lei ◽

Gaonan Li ◽

...

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Infinite Dilution ◽

Dynamics Simulation ◽

Supercritical Carbon

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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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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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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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Transport properties of mixtures composed of acetone, water, and supercritical carbon dioxide by molecular dynamics simulation

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2017.06.017 ◽

2017 ◽

Vol 130 ◽

pp. 321-326 ◽

Cited By ~ 9

Author(s):

Nahid Sohrevardi ◽

Mohammad Reza Bozorgmehr ◽

Mohammad Momen Heravi ◽

Mehrdad Khanpour

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Transport Properties ◽

Dynamics Simulation ◽

Acetone Water ◽

Supercritical Carbon

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Molecular Dynamics Simulation Studies of Polyether and Perfluoropolyether Surfactant Based Reverse Micelles in Supercritical Carbon Dioxide

The Journal of Physical Chemistry B ◽

10.1021/jp035128s ◽

2003 ◽

Vol 107 (47) ◽

pp. 12906-12916 ◽

Cited By ~ 34

Author(s):

Sanjib Senapati ◽

Max L. Berkowitz

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Supercritical Carbon Dioxide ◽

Reverse Micelles ◽

Dynamics Simulation ◽

Simulation Studies ◽

Supercritical Carbon

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