Monte Carlo simulation of phase equilibria for the two-dimensional Lennard-Jones fluid in the Gibbs ensemble

Journal Article · Tue May 01 00:00:00 EDT 1990 · Journal of Chemical Physics; (USA)

DOI:https://doi.org/10.1063/1.458524· OSTI ID:6945367

Singh, R R; Pitzer, K S; de Pablo, J J; Prausnitz, J M ^[1]

---

1. College of Chemistry, University of California, Berkeley, CA (USA) Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720 (USA)

The coexistence curve of the two-dimensional Lennard-Jones fluid has been obtained by Monte Carlo simulation in the Gibbs ensemble. The calculated vapor--liquid equilibria show that the apparent critical exponent {beta}{sub {ital e}} has a value near that of an infinitely large system, rather than the classical value, even though the correlation length is constrained by the box size. These results are similar to those for the three-dimensional case.

• DOE Contract Number: AC03-76SF00098
• OSTI ID: 6945367
• Journal Information: Journal of Chemical Physics; (USA), Journal Name: Journal of Chemical Physics; (USA) Vol. 92:9; ISSN JCPSA; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
COMPUTERIZED SIMULATION
CRITICAL TEMPERATURE
DISTRIBUTION FUNCTIONS
EQUATIONS
FLUIDS
FUNCTIONS
LENNARD-JONES POTENTIAL
MONTE CARLO METHOD
PERCUS-YEVICK EQUATION
PHASE TRANSFORMATIONS
PHYSICAL PROPERTIES
POTENTIALS
SIMULATION
THERMODYNAMIC PROPERTIES
TRANSITION TEMPERATURE