Transferable Step Potentials for the Straight-Chain Alkanes, Alkenes, Alkynes, Ethers, and Alcohols

Industrial and Engineering Chemistry Research

Volumn 43, Issue 7, 2004, Pages 1788-1793

  Unlu, Ozlem ^a   Gray, Neil H ^a   Gerek, Zeynep N ^a   Elliott, J Richard ^a  

^a The University of Akron   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; ETHERS; HYDROGEN BONDS; OLEFINS; PARAFFINS; THERMODYNAMICS;

MOLECULAR INTERACTION POTENTIAL; TRANSFERABLE STEP POTENTIAL;

MOLECULAR DYNAMICS;

ALCOHOL; ALKANE; ALKENE; ALKYNE; ETHER DERIVATIVE;

MOLECULAR STRUCTURE;

ARTICLE; DENSITY; ENERGY; HYDROGEN BOND; LIQUID; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PHYSICAL CHEMISTRY; SIMULATION; THERMODYNAMICS; VAPOR PRESSURE;

EID: 1842509194     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie034036m     Document Type: Article

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