Abstract
Canonical ensemble Monte Carlo simulations have been carried out to investigate the thermodynamic properties of two-dimensional fluids subjected to truncated Lennard-Jones 12-6 potential. The simulations of thermodynamic states sweep across liquid-vapor regime over a wide range of thermodynamic conditions. Simulated isotherms behave van der Waals loop-like characteristics in the liquid-vapor phase-transition region. It suggests a continuous isothermal phase transition in the case of micro system, in which the system size prohibits phase separation. Two-dimensional dimensionless van der Waals equation of states has been obtained from theoretical analysis. By fitting simulated data to this equation, temperature-dependent parameters in the equation have been determined.
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References
Tien, C. L., Chen, G., Challenges in microscale conductive and radiative heat transfer, ASME Journal of Heat Transfer, 1994, 116: 799.
Majumdar, A., Microscale thermal science and engineering, Thermal Engineering, ASME, Tech. Briefs, Heat Transfer Division, 1994, 3.
Carey, V. P., Modeling of microscale transport in multiphase systems, Heat Transfer 1998, Proceedings of 11th IHTC, Kyongju, Korea, Aug. 23–28, 1998, 1: 23.
Kotake, S., Molecular mechanical engineering, JSME International Journal B, 1995, 38: 1.
Kotake, S., Future aspects of molecular heat and mass transfer studies, Thermal Science and Engineering, The Heat Transfer Society of Japan, 1994, 2(1): 12.
Kotake, S., Thermo-fluid engineering with quantum, molecular and continuum dynamics, Thermal Science and Engineering, The Heat Transfer Society of Japan, 1995, 3(3): 21.
Rivera, Y. D., Weber, C., Lopez, G. E., Monte Carlo studies of heat capacity anomalies in two-dimensional nanoclusters, J. Chem. Phys., 1995, 103(24): 10627.
Allen, M. P., Tildesley, D. J., Computer Simulation of Liquids, Oxford: Clarendon Press, 1987.
Panagiotopoulos, A. Z., Current advances in Monte Carlo methods, Fluid Phase Equilibria, 1996, 116: 257.
Barker, J. A., Henderson, D., Abraham, F. F., Phase diagram of the two-dimensional Lennard-Jones system, evidence for first-order transitions, Physica A, 1981, 106: 226.
Singh, R. R., Pitzer, K. S., de Pablo, J. J., Monte Carlo simulation of phase equilibria for the two-dimensional Lennard-Jones fluid in the Gibbs ensemble, J. Chem. Phys., 1990, 92(9): 5463.
Smit, B., Frenkel, D., Vapor-liquid equilibria of the two-dimensional Lennard-Jones fluid(s), J. Chem. Phys., 1991, 94(8): 5663.
Panagiotopoulos, A. Z., Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble, Mol. Phys., 1987, 61(4): 813.
Alder, B. J., Wainwright, T. E., Phase transition in elastic disks, Phys. Rev., 1962, 127(2): 359.
Pathria, R. K., Statistical Mechanics, Oxford, Toronto: Pergamon Press, 1972.
Landau, L. D., Lifshitz, E. M., Statistical Physics, Oxford: Pergamon Press, 1980.
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Feng, X., Li, Z. & Guo, Z. Monte Carlo simulation of thermodynamic properties for two-dimensional Lennard-Jones fluids. Chin.Sci.Bull. 45, 2004–2009 (2000). https://doi.org/10.1007/BF02909697
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DOI: https://doi.org/10.1007/BF02909697