Molecular dynamics of carbon dioxide, methane and their mixtures in a zeolite possessing two independent pore networks as revealed by computer simulations

Journal of Physical Chemistry B

Volumn 113, Issue 42, 2009, Pages 13761-13767

  Sant, Marco ^a   Leyssale, Jean Marc ^b   Papadopoulos, George K ^a   Theodorou, Doros N ^a  

^a NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; CELL MEMBRANES; COMPUTATIONAL METHODS; COMPUTER NETWORKS; COMPUTER SIMULATION; DIFFUSION; MEAN FIELD THEORY; METHANE; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; PROBABILITY DISTRIBUTIONS; SORPTION; STATISTICAL MECHANICS; ZEOLITES;

ATOMISTIC COMPUTER SIMULATION; DIFFUSION COEFFICIENTS; DIFFUSION DIRECTION; DIFFUSIVITIES; EQUILIBRIUM MOLECULAR DYNAMICS; INTERMOLECULAR INTERACTIONS; MAXWELL-STEFAN; MOLECULAR MOTIONS; NANOPOROUS MATERIALS; PORE NETWORKS; PROBABILITY DENSITY DISTRIBUTION; QUASI-CHEMICAL; SELF-DIFFUSIVITY; SINUSOIDAL CHANNELS; SORBATES; SORPTION THERMODYNAMICS; SUPERCAGES; TRANSPORT COEFFICIENT; UNIT CELLS;

BINARY MIXTURES;

EID: 70350112538     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp902829j     Document Type: Article

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