Influence of surface groups on the diffusion of gases in MCM-41: A molecular dynamics study

Journal of Physical Chemistry C

Volumn 115, Issue 21, 2011, Pages 10651-10660

  Williams, Jennifer J ^a   Seaton, Nigel A ^b   Düren, Tina ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

^b UNIVERSITY OF SURREY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CROSS-TERMS; DIFFUSION COEFFICIENTS; FUNCTIONALIZED; MOLECULAR DYNAMICS SIMULATIONS; ORGANIC GROUP; PORE MODELS; PORE REGION; PORE WALL; SMOOTH SURFACE; SURFACE FUNCTIONALIZATION; SURFACE GROUPS; TRANSPORT DIFFUSION; TRANSPORT MECHANISM;

BINARY MIXTURES; CARBON DIOXIDE; DIFFUSION; MOLECULAR DYNAMICS;

SURFACES;

EID: 79957815679     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp112073z     Document Type: Article

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