Molecular-dynamics simulations of excess enthalpies in mixtures of supercritical carbon dioxide and neopentane

Excess Enthalpies ◽

Dynamics Simulations ◽

Molecular Dynamics Simulations of Asphaltene Aggregation in Supercritical Carbon Dioxide with and without Limonene†

Energy & Fuels ◽

10.1021/ef1010397 ◽

2011 ◽

Vol 25 (2) ◽

pp. 503-508 ◽

Cited By ~ 46

Author(s):

Thomas F. Headen ◽

Edo S. Boek

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Dynamics Simulations ◽

Thermal Conductivity of Amorphous Polystyrene in Supercritical Carbon Dioxide Studied by Reverse Nonequilibrium Molecular Dynamics Simulations†

The Journal of Physical Chemistry A ◽

10.1021/jp9009492 ◽

2009 ◽

Vol 113 (43) ◽

pp. 11487-11494 ◽

Cited By ~ 17

Author(s):

Elena A. Algaer ◽

Mohammad Alaghemandi ◽

Michael C. Böhm ◽

Florian Müller-Plathe

Keyword(s):

Carbon Dioxide ◽

Thermal Conductivity ◽

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Structural Properties and Dynamics of Thiophene in Sub/Supercritical Carbon Dioxide from Car–Parrinello Molecular Dynamics Simulations

10.1021/acs.jpcb.5b01430 ◽

2015 ◽

Vol 119 (27) ◽

pp. 8573-8582 ◽

Cited By ~ 3

Author(s):

Yongping Zeng ◽

Chunfeng Wang ◽

Yueyang Xu ◽

WenLin Xu ◽

Shengui Ju

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Structural Properties ◽

Dynamics Simulations ◽

Anisotropy of the Thermal Conductivity of Stretched Amorphous Polystyrene in Supercritical Carbon Dioxide Studied by Reverse Nonequilibrium Molecular Dynamics Simulations

10.1021/jp906447a ◽

2009 ◽

Vol 113 (44) ◽

pp. 14596-14603 ◽

Cited By ~ 24

Author(s):

Elena A. Algaer ◽

Mohammad Alaghemandi ◽

Michael C. Böhm ◽

Florian Müller-Plathe

Keyword(s):

Carbon Dioxide ◽

Thermal Conductivity ◽

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics ◽

Dynamics Simulations ◽

Molecular dynamics simulations of transport and separation of supercritical carbon dioxide-alkane mixtures in supported membranes

Chemical Engineering Science ◽

10.1016/j.ces.2007.02.026 ◽

2007 ◽

Vol 62 (10) ◽

pp. 2777-2789 ◽

Cited By ~ 16

Author(s):

Mahnaz Firouzi ◽

Theodore T. Tsotsis ◽

Muhammad Sahimi

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Supported Membranes ◽

Dynamics Simulations ◽

Extraction of kerogen from oil shale with supercritical carbon dioxide: Molecular dynamics simulations

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2015.07.005 ◽

2016 ◽

Vol 107 ◽

pp. 499-506 ◽

Cited By ~ 21

Author(s):

Tiantian Wu ◽

Qingzhong Xue ◽

Xiaofang Li ◽

Yehan Tao ◽

Yakang Jin ◽

...

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Oil Shale ◽

Dynamics Simulations ◽

Displacement Mechanism of Oil in Shale Inorganic Nanopores by Supercritical Carbon Dioxide from Molecular Dynamics Simulations

Energy & Fuels ◽

10.1021/acs.energyfuels.6b02377 ◽

2016 ◽

Vol 31 (1) ◽

pp. 738-746 ◽

Cited By ~ 23

Author(s):

Bing Liu ◽

Chao Wang ◽

Jun Zhang ◽

Senbo Xiao ◽

Zhiliang Zhang ◽

...

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Displacement Mechanism ◽

Dynamics Simulations ◽

Experimental and molecular-dynamics simulated excess enthalpies and solubilities of neopentane in supercritical carbon dioxide

Fluid Phase Equilibria ◽

10.1016/0378-3812(90)85048-f ◽

1990 ◽

Vol 60 (1-2) ◽

pp. 143-156 ◽

Cited By ~ 6

Author(s):

R.L. Rowley ◽

J.L. Oscarson ◽

N.F. Giles ◽

W.K. Tolley ◽

R.M. Izatt

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Excess Enthalpies ◽

The Relation of Interface Properties and Bulk Phase Stability: Molecular Dynamics Simulations of Carbon Dioxide

10.1021/jp808789p ◽

2009 ◽

Vol 113 (14) ◽

pp. 4688-4697 ◽

Cited By ~ 22

Author(s):

T. Kraska ◽

F. Römer ◽

A. R. Imre

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Phase Stability ◽

Bulk Phase ◽

Interface Properties ◽

Dynamics Simulations

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

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 ◽

Methyl Methacrylate ◽

Dynamics Simulation ◽

Poly Methyl Methacrylate ◽