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A Molecular Dynamics Simulation of Methane Adsorption in Graphite Slit-pores
LIU Bing, SHI Junqin, SHEN Yue, ZHANG Jun
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS 2013, 30 (
5
): 692-699.
Abstract
(
656
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1713
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Adsorption of methane in graphite slit-pores and effect of slit-pores width and temperature on methane adsorption were studied with molecular dynamics simulation. It indicates that methane molecules have layering phenomenon in graphite slit-pores. Structure of methane in adsorption layers shows similar characteristics of liquid while to those of gas in free layers. And in a methane molecule there always exist two hydrogen atoms in a plane that parallels to slit-pore wall and other two hydrogen atoms in another plane that also parallels to slit-pore wall in the first layer. Potential of mean force between carbon atoms shows that binding capacity of methane is stronger in adsorption layers than in free layers. Adsorption state is one of the main occurrence state of methane in graphite slit-pores. London force and electric field force generated by net charge in adsorption layers are dominating reasons of methane adsorption and layering. Adsorption capacity of methane in graphite slit-pores decreases with increasing pore width or temperature. Methane is persisted only in adsorption state in slit-pore with width of 16.46 Å. Diffusivity of methane is the weakest in the first layer and the strongest in a free layer. Diffusion coefficients of methane increase with increasing pore width or temperature.
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Quantum Analysis of BCS-BEC Crossover in Feshbach Resonances
LI Jing, LIU Bin
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS 2012, 29 (
3
): 466-474.
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248
)
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985
)
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We consider a many-particle model which concludes interaction of molecular BEC,and gave a semi-analytical method to calculate conversion efficiency of Fermion atom pairs convert to Boson molecules.The method used mainly independent crossing approximation.With mean-field theory we get an equation for conversione efficiency.Calculating results are supported by numerical simulation and experiment of
6
Li by Hulet group in 2003.
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The numerical calculation of direct current field character of overburden failure
Cheng Jiulong, Liu bin, Yu Shijian, Xu Shizhe, Zhu Lu
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS 1999, 16 (
1
): 54-58.
Abstract
(
224
)
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1185
)
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The overburden failure causes the changes of the constant electric field,and the resistivity is the main parameter in these changes.2D finite element method (FEM) is used to simulate the resistivity distribution of overburden by building the mathematics models of the overburden electrical parameter changes.The calculation indicates that the resistivity varies with the electrical character of the rock in cracked zone and caving zone caused by overburden failure,and the resistivity method used in monitoring the overburden failure is practical in principle.
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