Force field parametrization through fitting on inflection points in isotherms

Physical Review Letters

Volumn 93, Issue 8, 2004, Pages

  Dubbeldam, D ^a   Calero, S ^b   Vlugt, T J H ^c   Krishna, R ^a   Maesen, T L M ^d   Beerdsen, E ^a   Smit, B ^a  

^a UNIVERSITY OF AMSTERDAM   (Netherlands)

^b UNIVERSIDAD PABLO DE OLAVIDE   (Spain)

^c UTRECHT UNIVERSITY   (Netherlands)

^d CHEVRON ENERGY TECHNOLOGY COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBENTS; CHEMICAL BONDS; COMPUTER SIMULATION; ISOMERS; MIXTURES; MONTE CARLO METHODS; PARAFFINS; PHASE DIAGRAMS; SUBSTRATES;

ADSORBATES; HENRY COEFFICIENTS; MOLECULAR SIMULATIONS; PARAMETRIZATION;

ADSORPTION ISOTHERMS;

EID: 19544366078     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevLett.93.088302     Document Type: Article

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