Application of the TraPPE force field to predicting isothermal pressure-volume curves at high pressures and high temperatures

International Journal of Thermophysics

Volumn 28, Issue 3, 2007, Pages 796-804

  Eggimann, Becky L ^a,b   Siepmann, J Ilja ^a   Fried, Laurence E ^c  

^a UNIVERSITY OF MINNESOTA   (United States)

^b WHEATON COLLEGE   (United States)

^c LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

Equation of state; Extreme conditions; Monte Carlo simulation; Transferable force field

Indexed keywords

BEHAVIOR OF MATERIALS; ISOBARIC-ISOTHERMAL ENSEMBLE; PRESSURE-VOLUME CURVES; TRAPPE FORCE FIELD;

AMMONIA; COMPUTER SIMULATION; DETONATION; EQUATIONS OF STATE; HIGH PRESSURE EFFECTS; HIGH TEMPERATURE EFFECTS; METHANE; METHANOL; MONTE CARLO METHODS;

THERMODYNAMICS;

EID: 34548663703     PISSN: 0195928X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10765-007-0208-9     Document Type: Article

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