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Gas-liquid phase coexistence and finite-size effects in a two-dimensional Lennard-Jones system 被引量:1

Gas-liquid phase coexistence and finite-size effects in a two-dimensional Lennard-Jones system
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摘要 The gas-liquid phase coexistence in a two-dimensional Lennard-Jones system is investigated using Maxwell construction method together with molecular dynamics simulations.The results of phase coexistence in different truncations of the potential are compared with data obtained from the literature,and the corresponding critical properties calculated.The crossover from Ising-like to mean field behavior is observed and confirmed as the temperature approaches the critical point from below.Performing simulations on systems with different sizes,we find that a finite size effect is more significant than those shown in most of the previous results,and a lower critical temperature is obtained when the full extent of this finite size effect is considered. The gas-liquid phase coexistence in a two-dimensional Lennard-Jones system is investigated using Maxwell construction method together with molecular dynamics simulations. The results of phase coexistence in different truncations of the potential are compared with data obtained from the literature, and the corresponding critical properties calculated. The crossover from Ising-like to mean field behavior is observed and confirmed as the temperature approaches the critical point from below. Performing simulations on systems with different sizes, we find that a finite size effect is more significant than those shown in most of the previous results, and a lower critical temperature is obtained when the full extent of this finite size effect is considered.
出处 《Chinese Science Bulletin》 SCIE EI CAS 2011年第26期2773-2779,共7页
基金 supported by the National Natural Science Foundation of China (20903112,10972217) the Knowledge Innovation Program of Chinese Academy of Sciences (KJCX2-YW-L08)
关键词 有限尺寸效应 气液相 系统 二维 共存 分子动力学模拟 规模效应 临界温度 Lennard-Jones system, two dimension, gas-liquid phase coexistence, finite size effect, molecular dynamics
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  • 1Panagiotopoulos A Z. Direct determination of phase coexistence properties of fluids by Monte-Carlo simulation in a new ensemble. Mol Phys, 1987, 61:813-826.
  • 2Moiler T, Fischer J. Vapor-liquid-equilibrium of a pure fluid from test particle method in combination with NPT molecular-dynamics simulations. Mol Phys, 1990, 69:463-473.
  • 3Palmer B J, Lo C M. Molecular dynamics implementation of the Gibbs ensemble calculation. J Chem Phys, 1994, 101:10899-10907.
  • 4Ouyang W Z, Lu Z Y, Shi T F, et al. A molecular-dynamics simulation study on the dependence of Lennard-Jones gas-liquid phase diagram on the long-range part of the interactions. J Chem Phys, 2005, 123:234502.
  • 5Reddy M R, O'Shea S F. The equation of state of the two-dimensional Lennard-Jones fluid. Can J Phys, 1986, 64:677-684.
  • 6Rovere M, Heermann D W, Binder K. The gas-liquid transition of the two-dimensional Lennard-Jones fluid. J Phys Condens Matter, 1990, 2: 7009-7032.
  • 7Conde M M, Vega C. Determining the three-phase coexistence line in methane hydrates using computer simulations. J Chem Phys, 2010, 133:064507.
  • 8Zeng X C. Gas-liquid nucleation in two-dimensional fluids. J Chem Phys, 1996, 104:2699-2704.
  • 9Jia R, Hentschke R. Dipolar particles in an extemal field: Molecular dynamics simulation and mean field theory. Phys Rev E, 2009, 80:051502.
  • 10Singh R R, Pitzer K S, De Pablo J J, et al. Monte Carlo simulation of phase equilibria for the two-dimensional Lennard-Jones fluid in the Gibbs ensemble. J Chem Phys, 1990, 92:5463-5466.

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