Structure and Adsorption of A Hard-Core Multi-Yukawa Fluid Confined in A Slitlike Pore: Grand Canonical Monte Carlo Simulation and Density Functional Study

The Journal of Physical Chemistry B ◽

10.1021/jp055299s ◽

2006 ◽

Vol 110 (1) ◽

pp. 334-341 ◽

Author(s):

Yang-Xin Yu ◽

Feng-Qi You ◽

Yiping Tang ◽

Guang-Hua Gao ◽

Yi-Gui Li

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Density Functional ◽

Hard Core ◽

Functional Study ◽

Grand Canonical Monte Carlo ◽

Density Functional Study ◽

Yukawa Fluid ◽

Grand Canonical

Download Full-text

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

Download Full-text

Structure of Inhomogeneous Attractive and Repulsive Hard-Core Yukawa Fluid: Grand Canonical Monte Carlo Simulation and Density Functional Theory Study

The Journal of Physical Chemistry B ◽

10.1021/jp045112h ◽

2005 ◽

Vol 109 (8) ◽

pp. 3512-3518 ◽

Author(s):

Feng-Qi You ◽

Yang-Xin Yu ◽

Guang-Hua Gao

Keyword(s):

Density Functional Theory ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Density Functional ◽

Hard Core ◽

Density Functional Theory Study ◽

Grand Canonical Monte Carlo ◽

Functional Theory ◽

Yukawa Fluid ◽

Grand Canonical

Download Full-text

Preferential interaction between DNA and small ions in mixed-size counterion systems: Monte Carlo simulation and density functional study

The Journal of Chemical Physics ◽

10.1063/1.2713105 ◽

2007 ◽

Vol 126 (13) ◽

pp. 135102 ◽

Author(s):

Ke Wang ◽

Yang-Xin Yu ◽

Guang-Hua Gao ◽

Guang-Sheng Luo

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Preferential Interaction

Download Full-text

Influence of unlike dispersive interactions on methane adsorption in graphite: a grand canonical Monte Carlo simulation and classical density functional theory study

The European Physical Journal B ◽

10.1140/epjb/e2015-60668-1 ◽

2015 ◽

Vol 88 (11) ◽

Author(s):

Matthew Lasich ◽

Deresh Ramjugernath

Keyword(s):

Density Functional Theory ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Density Functional ◽

Methane Adsorption ◽

Density Functional Theory Study ◽

Grand Canonical Monte Carlo ◽

Functional Theory ◽

Grand Canonical

Download Full-text

Kinetic Monte Carlo Simulation of PdZn Alloying and Density Functional Study of PdZn Surface Reactivity towards Water Dissociation

ChemCatChem ◽

10.1002/cctc.201500366 ◽

2015 ◽

Vol 7 (13) ◽

pp. 1926-1930 ◽

Author(s):

Feng Cheng ◽

Zhao-Xu Chen

Keyword(s):

Monte Carlo Simulation ◽

Monte Carlo ◽

Density Functional ◽

Kinetic Monte Carlo ◽

Surface Reactivity ◽

Water Dissociation ◽

Functional Study ◽

Kinetic Monte Carlo Simulation ◽

Density Functional Study

Download Full-text

Structure of hard-core Yukawa fluid mixtures near a semi-permeable membrane: A density functional study

Journal of Membrane Science ◽

10.1016/j.memsci.2008.04.021 ◽

2008 ◽

Vol 320 (1-2) ◽

pp. 381-389 ◽

Author(s):

Zhen Yang ◽

Xiaoning Yang ◽

Zhijun Xu

Keyword(s):

Density Functional ◽

Hard Core ◽

Functional Study ◽

Permeable Membrane ◽

Density Functional Study ◽

Fluid Mixtures ◽

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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 ◽

Download Full-text