Chemo-mechanical coupling in kerogen gas adsorption/desorption

Tuan Anh Ho; Yifeng Wang; Louise J. Criscenti

doi:10.1039/c8cp01068d

Chemo-mechanical coupling in kerogen gas adsorption/desorption

Physical Chemistry Chemical Physics ◽

10.1039/c8cp01068d ◽

2018 ◽

Vol 20 (18) ◽

pp. 12390-12395 ◽

Cited By ~ 33

Author(s):

Tuan Anh Ho ◽

Yifeng Wang ◽

Louise J. Criscenti

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Gas Adsorption ◽

Dynamics Simulation ◽

Hybrid Monte Carlo ◽

Mechanical Coupling ◽

Adsorption Desorption

Strong chemo-mechanical coupling in kerogen gas adsorption from a hybrid Monte Carlo/molecular dynamics simulation study.

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Journal of Molecular Biology ◽

10.1006/jmbi.2001.4642 ◽

2001 ◽

Vol 308 (5) ◽

pp. 907-917 ◽

Cited By ~ 60

Author(s):

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Alexander P Lyubartsev ◽

Lars Nordenskiöld ◽

Aatto Laaksonen

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Grand Canonical Monte Carlo ◽

Grand Canonical

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Metallurgical and Materials Transactions A ◽

10.1007/s11661-013-2000-8 ◽

2013 ◽

Vol 45 (1) ◽

pp. 196-200 ◽

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Author(s):

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W. P. Huhn ◽

S. Maiti ◽

W. Steurer

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulation ◽

Refractory Metal ◽

Dynamics Simulation ◽

High Entropy Alloy ◽

Hybrid Monte Carlo ◽

High Entropy

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Journal of Physics Condensed Matter ◽

10.1088/0953-8984/23/19/194120 ◽

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Vol 23 (19) ◽

pp. 194120 ◽

Cited By ~ 19

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H J Schöpe ◽

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Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Hard Spheres ◽

Dynamics Simulation

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The Journal of Physical Chemistry B ◽

10.1021/jp507884w ◽

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Vol 118 (37) ◽

pp. 10956-10965 ◽

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Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Grand Canonical Monte Carlo ◽

Near Surface ◽

Geological Conditions ◽

Grand Canonical ◽

Clay Interlayer

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Molecular Physics ◽

10.1080/00268979400100344 ◽

1994 ◽

Vol 82 (3) ◽

pp. 455-471 ◽

Cited By ~ 51

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Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Free Energy ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Free Energy Calculations ◽

Dynamics Simulation ◽

Energy Calculations ◽

Lennard Jones ◽

Expanded Ensemble

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The Journal of Physical Chemistry B ◽

10.1021/jp000460e ◽

2000 ◽

Vol 104 (39) ◽

pp. 9356-9364 ◽

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L. L. Zhu ◽

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Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Grand Canonical Monte Carlo ◽

Type Zeolite ◽

And Diffusion ◽

Grand Canonical

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10.26226/morressier.5f5f8e69aa777f8ba5bd5f91 ◽

2020 ◽

Author(s):

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Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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Current Biotechnology ◽

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2018 ◽

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pp. 309-316

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Himakshi Sarma ◽

Venkata Satish Kumar Mattaparthi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Dynamics Simulation

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Chemical Physics Letters ◽

10.1016/j.cplett.2005.05.035 ◽

2005 ◽

Vol 410 (1-3) ◽

pp. 54-58 ◽

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Motoyuki Shiga ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

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Physical Review E ◽

10.1103/physreve.70.011804 ◽

2004 ◽

Vol 70 (1) ◽

Cited By ~ 11

Author(s):

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Grant D. Smith ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽

Dynamics Simulation

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