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 ◽

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

Download Full-text

Calculation of Self-Diffusion and Tracer Diffusion Coefficients near the Critical Point of Carbon Dioxide Using Molecular Dynamics Simulation

Industrial & Engineering Chemistry Research ◽

10.1021/ie000173x ◽

2000 ◽

Vol 39 (12) ◽

pp. 4567-4570 ◽

Author(s):

Hidenori Higashi ◽

Yoshio Iwai ◽

Yasuhiko Arai

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Critical Point ◽

Diffusion Coefficients ◽

Tracer Diffusion ◽

Dynamics Simulation ◽

Self Diffusion ◽

Tracer Diffusion Coefficients

Download Full-text

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

Download Full-text

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 ◽

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

Download Full-text

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 ◽

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

Download Full-text

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

Download Full-text

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 ◽

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

Download Full-text

Tracer diffusion coefficients of citral and d-limonene in supercritical carbon dioxide

Fluid Phase Equilibria ◽

10.1016/s0378-3812(02)00175-9 ◽

2003 ◽

Vol 204 (1) ◽

pp. 65-73 ◽

Author(s):

C.A. Filho ◽

C.M. Silva ◽

M.B. Quadri ◽

E.A. Macedo

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Diffusion Coefficients ◽

Tracer Diffusion ◽

Tracer Diffusion Coefficients ◽

Supercritical Carbon

Download Full-text

Tracer‐diffusion coefficients for both localized and nonlocalized adsorption: Theory and molecular‐dynamics simulation

The Journal of Chemical Physics ◽

10.1063/1.470126 ◽

1995 ◽

Vol 103 (19) ◽

pp. 8694-8704 ◽

Author(s):

Janhavi S. Raut ◽

Kristen A. Fichthorn

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Diffusion Coefficients ◽

Tracer Diffusion ◽

Dynamics Simulation ◽

Adsorption Theory ◽

Tracer Diffusion Coefficients

Download Full-text

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 ◽

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

Download Full-text

Molecular Dynamics Simulation of Reverse Micelles in Supercritical Carbon Dioxide

Industrial & Engineering Chemistry Research ◽

10.1021/ie000144m ◽

2000 ◽

Vol 39 (12) ◽

pp. 4543-4554 ◽

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

Download Full-text