Generation of thermodynamic data for organic liquid mixtures from molecular simulations

Molecular Simulation

Volumn 33, Issue 4-5, 2007, Pages 449-457

  Christensen, S ^a   Peters, G H ^a,b   Hansen, F Y ^a   O'Connell, J P ^c   Abildskov, J ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b MEMPHYS Center for Biomembrane Physics   (Denmark)

^c University of Virginia   (United States)

Author keywords

Activity coefficients; All atom force field; Fluctuation solution theory; Liquids; NPT simulations; Organic solutions

Indexed keywords

COMPUTER SIMULATION; CORRELATION METHODS; DISTRIBUTION FUNCTIONS; MOLECULAR DYNAMICS; THERMODYNAMICS;

ALL-ATOM FORCE FIELD; FLUCTUATION SOLUTION THEORY; NPT SIMULATIONS; ORGANIC SOLUTIONS;

MIXTURES;

EID: 34248562596     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020601177109     Document Type: Conference Paper

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