Comparison of density functional theory and molecular simulation methods for pore size distribution of mesoporous materials

Acta Physico - Chimica Sinica

Volumn 19, Issue 6, 2003, Pages 538-542

  Shao, Xiao Hong ^a   Zhang, Xian Ren ^a   Wang, Wen Chuan ^a  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

Author keywords

Adsorption; Density functional theory; Grand canonical Monte Carlo method; Pore size distribution

Indexed keywords

ADSORPTION; ARTICLE; CHANNEL GATING; INTERMETHOD COMPARISON; ISOTHERM; MOLECULAR SIZE; MOLECULAR WEIGHT; MONTE CARLO METHOD; POROSITY; SIMULATION; THEORY;

EID: 0038149248     PISSN: 10006818     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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