The structure of hydrated complexes of o-hydroxybenzoic acid in water-modified supercritical carbon dioxide: The Car-Parrinello molecular dynamics simulation

Dynamics Simulation ◽

Hydroxybenzoic Acid ◽

Hydrated Complexes ◽

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 ◽

Methyl Methacrylate ◽

Dynamics Simulation ◽

Poly Methyl Methacrylate ◽

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 ◽

Phase Behavior ◽

Dynamics Simulation ◽

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 ◽

Dynamics Simulation ◽

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 ◽

Reverse Micelles ◽

Dynamics Simulation ◽

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 ◽

Transport Properties ◽

Dynamics Simulation ◽

Acetone Water ◽

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 ◽

Reverse Micelles ◽

Dynamics Simulation ◽

Simulation Studies ◽

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 ◽

Binary Mixtures ◽

Simulation Study ◽

Dynamics Simulation ◽

Study on the solubility parameter of supercritical carbon dioxide system by molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2017.10.056 ◽

2017 ◽

Vol 248 ◽

pp. 322-329 ◽

Cited By ~ 10

Author(s):

Minhua Zhang ◽

Maobin Dou ◽

Mengyan Wang ◽

Yingzhe Yu

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Solubility Parameter ◽

Dynamics Simulation ◽

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 ◽

Methyl Methacrylate ◽

Diffusion Coefficients ◽

Dynamics Simulation ◽

Poly Methyl Methacrylate ◽

Molecular dynamics simulation of supercritical carbon dioxide fluid with the model potential from ab initio molecular orbital calculations

Chemical Physics Letters ◽

10.1016/0009-2614(96)00397-1 ◽

1996 ◽

Vol 255 (4-6) ◽

pp. 347-349 ◽

Cited By ~ 24

Author(s):

Seiji Tsuzuki ◽

Tadafumi Uchimaru ◽

Masuhiro Mikami ◽

Kazutoshi Tanabe ◽

Takeshi Sako ◽

...

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Ab Initio ◽

Molecular Orbital ◽

Model Potential ◽

Dynamics Simulation ◽

Molecular Orbital Calculations ◽