Modeling alkane+perfluoroalkane interactions using all-atom potentials: Failure of the usual combining rules

Journal of Chemical Physics

Volumn 119, Issue 17, 2003, Pages 9145-9162

  Song, W ^a   Rossky, P J ^b   Maroncelli, M ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b The University of Texas at Austin   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; COMPUTER SIMULATION; MOLECULES; REDUCTION;

POTENTIAL FUNCTION;

PARAFFINS;

EID: 0344467181     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1610435     Document Type: Article

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122. See EPAPS Document No. E-JCPSA6-119-515339 for supplementary tables S1-S3 which list virial data and the potential parameters of the solutes used in solubility calculations. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.