A parallelizable block cellular automaton for the study of diffusion of binary mixtures containing CO2 in microporous materials

Journal of Chemical Physics

Volumn 135, Issue 12, 2011, Pages

  Pintus, Alberto M ^a,b   Pazzona, Federico G ^a,b   Demontis, Pierfranco ^a,b   Suffritti, Giuseppe B ^a,b  

^a UNIVERSITY OF SASSARI   (Italy)

^b Interuniversitario Nazionale per la Scienza e Tecnologia Dei Materiali (INSTM)   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; ADSORPTION ENERGIES; COMMON FEATURES; RIGOROUS METHODOLOGIES; ROBUST METHODS; SELF-DIFFUSIVITY;

ACTIVATION ENERGY; ADSORPTION; BINARY MIXTURES; CARBON DIOXIDE; CELLULAR AUTOMATA; DIFFUSION; MICROPOROSITY; MOLECULAR DYNAMICS;

MICROPOROUS MATERIALS;

CARBON DIOXIDE; METHANE; NITROGEN; ZEOLITE;

ARTICLE; CHEMISTRY; DIFFUSION; MOLECULAR DYNAMICS; POROSITY; SURFACE PROPERTY;

CARBON DIOXIDE; DIFFUSION; METHANE; MOLECULAR DYNAMICS SIMULATION; NITROGEN; POROSITY; SURFACE PROPERTIES; ZEOLITES;

EID: 80053519995     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3643764     Document Type: Article

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