Transferable Anisotropic United-Atom Force Field Based on the Mie Potential for Phase Equilibrium Calculations: n-Alkanes and n-Olefins

Journal of Physical Chemistry B

Volumn 119, Issue 35, 2015, Pages 11695-11707

  Hemmen, Andrea ^a   Gross, Joachim ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; ATOMS; BOND LENGTH; DEGREES OF FREEDOM (MECHANICS); DENSITY OF LIQUIDS; EQUATIONS OF STATE; HEXANE; HYDROSTATIC PRESSURE; ITERATIVE METHODS; OLEFINS; PHASE EQUILIBRIA; VAN DER WAALS FORCES;

ANALYTIC EQUATION OF STATE; ANISOTROPIC UNITED ATOM; CORRELATED PARAMETERS; FORCE FIELD PARAMETERS; FORCE FIELD PARAMETRIZATION; GRAND CANONICAL ENSEMBLE; PHASE EQUILIBRIUM CALCULATION; VAN DER WAALS INTERACTIONS;

PARAFFINS;

EID: 84935846382     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b01354     Document Type: Article

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