Monte Carlo simulations of vapor-liquid equilibria of neon using an accurate ab initio pair potential

Fluid Phase Equilibria

Volumn 218, Issue 2, 2004, Pages 285-289

  Venkatraj, Muthusamy ^a   Bratschi, Christoph ^a   Huber, Hanspeter ^a   Gdanitz, Robert J ^b,c,d  

^a UNIVERSITY OF BASEL   (Switzerland)

^b N Carolina AandT State University   (United States)

^c UNIVERSITY OF UTAH   (United States)

^d TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

Ab initio pair potential; Computational chemistry; Monte Carlo simulation; Neon; Vapor liquid equilibria

Indexed keywords

COMPUTER SIMULATION; DATA REDUCTION; DENSITY OF LIQUIDS; MONTE CARLO METHODS; NEON; QUANTUM THEORY; THERMODYNAMICS;

GIBBS ENSEMBLE MONTE CARLO (GEMC) SIMULATIONS; PHASE COEXISTENCE;

PHASE EQUILIBRIA;

NEON;

MONTE CARLO SIMULATION; NEON; PHASE EQUILIBRIUM MODEL; THERMODYNAMICS; VAPOR-LIQUID EQUILIBRIUM;

AB INITIO CALCULATION; ACCURACY; ARTICLE; DENSITY; LIQUID; MONTE CARLO METHOD; QUANTUM MECHANICS; TEMPERATURE; THERMODYNAMICS; VAPOR;

EID: 1842503920     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2004.01.021     Document Type: Article

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