Effect of Pore Geometry on Gas Adsorption: Grand Canonical Monte Carlo Simulation Studies

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2012.33.3.901 ◽

2012 ◽

Vol 33 (3) ◽

pp. 901-905 ◽

Author(s):

Eon-Ji Lee ◽

Rak-Woo Chang ◽

Ji-Hyung Han ◽

Taek-Dong Chung

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Gas Adsorption ◽

Pore Geometry ◽

Simulation Studies ◽

Grand Canonical Monte Carlo ◽

Grand Canonical

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Adsorptive removal of phenol using faujasite-type Y zeolite: Adsorption isotherms, kinetics and grand canonical Monte Carlo simulation studies

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.111997 ◽

2019 ◽

Vol 296 ◽

pp. 111997 ◽

Author(s):

Bouchra Ba Mohammed ◽

Khalid Yamni ◽

Najib Tijani ◽

Awad A. Alrashdi ◽

Hafid Zouihri ◽

...

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Adsorption Isotherms ◽

Simulation Studies ◽

Grand Canonical Monte Carlo ◽

Y Zeolite ◽

Adsorptive Removal ◽

Grand Canonical

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Sorption and permeation of gaseous molecules in amorphous and crystalline PPX C membranes: molecular dynamics and grand canonical Monte Carlo simulation studies

Chinese Physics B ◽

10.1088/1674-1056/21/7/074208 ◽

2012 ◽

Vol 21 (7) ◽

pp. 074208 ◽

Author(s):

Liang Bian ◽

Yuan-Jie Shu ◽

Xin-Feng Wang

Keyword(s):

Molecular Dynamics ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Studies ◽

Grand Canonical Monte Carlo ◽

Grand Canonical

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Osmotic Pressure of Polyelectrolyte Solutions with Salt: Grand Canonical Monte Carlo Simulation Studies

Macromolecules ◽

10.1021/acs.macromol.5b01610 ◽

2015 ◽

Vol 48 (19) ◽

pp. 7370-7377 ◽

Author(s):

Rakwoo Chang ◽

Yongbin Kim ◽

Arun Yethiraj

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Osmotic Pressure ◽

Simulation Studies ◽

Grand Canonical Monte Carlo ◽

Polyelectrolyte Solutions ◽

Grand Canonical

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Experimental investigation and Grand Canonical Monte Carlo simulation of gas shale adsorption from the macro to the nano scale

Journal of Natural Gas Science and Engineering ◽

10.1016/j.jngse.2016.12.024 ◽

2017 ◽

Vol 48 ◽

pp. 119-137 ◽

Author(s):

Hamza Aljamaan ◽

Maytham Al Ismail ◽

Anthony R. Kovscek

Keyword(s):

Experimental Investigation ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Grand Canonical Monte Carlo ◽

Gas Shale ◽

Grand Canonical

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Grand canonical Monte Carlo simulation of argon adsorption at the surface of silica nanopores: Effect of pore size, pore morphology, and surface roughness

The Journal of Chemical Physics ◽

10.1063/1.1632897 ◽

2004 ◽

Vol 120 (6) ◽

pp. 2913-2922 ◽

Author(s):

B. Coasne ◽

R. J.-M. Pellenq

Keyword(s):

Surface Roughness ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Pore Size ◽

Pore Morphology ◽

Grand Canonical Monte Carlo ◽

Argon Adsorption ◽

Grand Canonical

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Structures and adsorption of binary hard-core Yukawa mixtures in a slitlike pore: Grand canonical Monte Carlo simulation and density-functional study

The Journal of Chemical Physics ◽

10.1063/1.2013247 ◽

2005 ◽

Vol 123 (11) ◽

pp. 114705 ◽

Author(s):

Feng-Qi You ◽

Yang-Xin Yu ◽

Guang-Hua Gao

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Density Functional ◽

Hard Core ◽

Functional Study ◽

Grand Canonical Monte Carlo ◽

Density Functional Study ◽

Grand Canonical

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Evaluation of H2 and CO2 adsorption into MIL-88A-Fe by Grand canonical Monte Carlo simulation

Journal of Science, Quy Nhon University ◽

10.52111/qnjs.2021.15101-1 ◽

2021 ◽

Vol 15 (1) ◽

pp. 5-12

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Co2 Adsorption ◽

Grand Canonical Monte Carlo ◽

Grand Canonical

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Cluster Structures of Supercritical CH4Confined in Carbon Nanospaces with in Situ High-Pressure Small-Angle X-ray Scattering and Grand Canonical Monte Carlo Simulation

The Journal of Physical Chemistry B ◽

10.1021/jp0363646 ◽

2004 ◽

Vol 108 (1) ◽

pp. 27-30 ◽

Author(s):

T. Ohba ◽

T. Omori ◽

H. Kanoh ◽

K. Kaneko

Keyword(s):

Monte Carlo Simulation ◽

High Pressure ◽

Monte Carlo ◽

Small Angle ◽

Grand Canonical Monte Carlo ◽

X Ray ◽

X Ray Scattering ◽

Grand Canonical ◽

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Adsorption of Thiophene in MCM-22 Zeolite by Grand Canonical Monte Carlo Simulation

Asian Journal of Chemistry ◽

10.14233/ajchem.2013.13362 ◽

2013 ◽

Vol 25 (2) ◽

pp. 1011-1014 ◽

Author(s):

Li-Chun Xuan ◽

Ming-Xia Li ◽

Qing-Jiang Pan ◽

Guo Zhang

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Grand Canonical Monte Carlo ◽

Grand Canonical

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Adsorption of Chlorinated Methane Derivatives at the Ice Surface: A Grand Canonical Monte Carlo Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b11710 ◽

2017 ◽

Vol 121 (14) ◽

pp. 7782-7793 ◽

Author(s):

Ildikó Sumi ◽

Sylvain Picaud ◽

Pál Jedlovszky

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Grand Canonical Monte Carlo ◽

Monte Carlo Simulation Study ◽

Ice Surface ◽

Grand Canonical ◽

Chlorinated Methane

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