Transferable potentials for phase equilibria-united atom description of five- and six-membered cyclic alkanes and ethers

Journal of Physical Chemistry B

Volumn 116, Issue 36, 2012, Pages 11234-11246

  Keasler, Samuel J ^a   Charan, Sophia M ^a   Wick, Collin D ^b   Economou, Ioannis G ^c   Siepmann, J Ilja ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

^b Louisiana Tech University   (United States)

^c KHALIFA UNIVERSITY   (United Arab Emirates)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BINARY MIXTURES; FUNCTIONAL GROUPS; MOLECULES; PARAFFINS; PHASE EQUILIBRIA;

1 ,3 ,5-TRIOXANE; 1 ,3-DIOXOLANE; 1 ,4-DIOXANE; AZEOTROPIC BEHAVIOR; CRITICAL TEMPERATURES; CYCLIC ALKANES; CYCLIC STRUCTURES; FORCE FIELDS; ISOTHERMAL COMPRESSIBILITY; LENNARD-JONES PARAMETERS; LINEAR MOLECULES; LIQUID PHASE; METHYLENE GROUPS; MODEL YIELDS; NORMAL BOILING POINTS; OXYGEN ATOM; PARTIAL CHARGES; POLARIZABILITIES; RING SIZES; SATURATED LIQUID DENSITIES; SEPARATION FACTORS; TETRA-HYDROFURAN; TRANSFERABLE POTENTIALS;

ETHERS;

EID: 84866384088     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp302975c     Document Type: Article

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