Diffusion of propane, propylene and isobutane in 13X zeolite by molecular dynamics

Chemical Engineering Science

Volumn 65, Issue 9, 2010, Pages 2656-2663

  Granato, Miguel A ^a   Jorge, Miguel ^a   Vlugt, Thijs J H ^b   Rodrigues, Alírio E ^a  

^a UNIVERSITY OF PORTO   (Portugal)

^b DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Diffusion; Molecular dynamics; Monte Carlo; Propane; Propylene; Zeolites

Indexed keywords

13X ZEOLITE; DIFFUSION COEFFICIENTS; DIFFUSION DATA; DIFFUSIVITIES; EQUILIBRIUM ADSORPTION ISOTHERMS; FAUJASITES; ISOBUTANES; MEAN SQUARED DISPLACEMENT; MOLECULAR DYNAMICS SIMULATIONS; MONTE CARLO; SELF-DIFFUSION COEFFICIENTS; SIMULATION DATA; SIMULATION RESULT; SINGLE COMPONENTS; TRANSPORT DIFFUSIVITY; ZEOLITE 13X;

ADSORPTION; BUTANE; DIFFUSION IN LIQUIDS; DYNAMICS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROPANE; SILICATE MINERALS; SULFUR COMPOUNDS; ZEOLITES;

PROPYLENE;

EID: 77649188636     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ces.2009.12.044     Document Type: Article

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