Molecular simulation of water adsorption in silicalite: Effect of silanol groups and different cations

Microporous and Mesoporous Materials

Volumn 123, Issue 1-3, 2009, Pages 169-176

  Ozgur Yazaydin A ^a   Thompson, Robert W ^a  

^a Worcester Polytechnic Institute   (United States)

Author keywords

Adsorption; Cation; Molecular simulation; Silanol; Silicalite; Water

Indexed keywords

ADSORPTION OF WATER; CATION; DEFECT-FREE; EXTRAFRAMEWORK; HEATS OF ADSORPTION; MD SIMULATION; MOLECULAR SIMULATION; MOLECULAR SIMULATIONS; SATURATION PRESSURE; SELF-DIFFUSION; SELF-DIFFUSION COEFFICIENTS; SELF-DIFFUSIVITY; SILANOL; SILANOL GROUPS; SILICALITE; WATER ADSORPTION; WATER MOLECULE; WATER STRUCTURE;

ADSORPTION; ATMOSPHERIC TEMPERATURE; DEFECTS; DIFFUSION IN LIQUIDS; MOLECULAR STRUCTURE; POSITIVE IONS; ZEOLITES;

DEWATERING;

EID: 65749103892     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2009.03.045     Document Type: Article

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