Energetics of n-alkanes in zeolites: A configurational-bias Monte Carlo investigation into pore size dependence

Journal of the American Chemical Society

Volumn 118, Issue 28, 1996, Pages 6753-6759

  Bates, Simon P ^a   Van Well, Willy J M ^a   Van Santen, Rutger A ^a   Smit, Berend ^b  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b SHELL RESEARCH AND TECHNOLOGY CENTRE   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; MOLECULAR STRUCTURE; MONTE CARLO METHODS; POROSITY; THERMODYNAMIC PROPERTIES; ZEOLITES;

ALKANES; COILED CONFORMATION; CONFIGURATIONAL BIAS; ENERGETICS; HEAT OF ADSORPTION; PORE SIZE DEPENDENCE;

PARAFFINS;

ALKANE;

ARTICLE; CRYSTALLOGRAPHY; DRUG STRUCTURE;

EID: 8944251632     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja953856q     Document Type: Article

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