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    陈志同, 孙方方, 李丽妍, 蔡钧. Lennard-Jones流体相平衡性质的Monte Carlo模拟[J]. 华东理工大学学报(自然科学版), 2015, (1): 1-8.
    引用本文: 陈志同, 孙方方, 李丽妍, 蔡钧. Lennard-Jones流体相平衡性质的Monte Carlo模拟[J]. 华东理工大学学报(自然科学版), 2015, (1): 1-8.
    CHEN Zhi-tong, SUN Fang-fang, LI Li-yan, CAI Jun. Monte Carlo Simulations of Phase Equilibria for Lennard-Jones Fluid[J]. Journal of East China University of Science and Technology, 2015, (1): 1-8.
    Citation: CHEN Zhi-tong, SUN Fang-fang, LI Li-yan, CAI Jun. Monte Carlo Simulations of Phase Equilibria for Lennard-Jones Fluid[J]. Journal of East China University of Science and Technology, 2015, (1): 1-8.

    Lennard-Jones流体相平衡性质的Monte Carlo模拟

    Monte Carlo Simulations of Phase Equilibria for Lennard-Jones Fluid

    • 摘要: 采用Monte Carlo方法,在巨正则系综下对Lennard Jones(L J)流体临界点和气液相平衡性质进行模拟。在完整标度理论的基础上,利用Q 参数法并结合直方图再加权技术进行有限尺寸标度外推得到L J流体临界温度Tc*=1.316 4±0.001 7,临界密度ρc*=0.316 7±0.000 7,这与已有报道结果相吻合。同时计算了L J流体近临界相平衡性质,并分析了L J流体的临界不对称性,研究发现,影响共存曲线直径的因素中,|t|1-α项占主导地位,|t|2β项的贡献较弱。

       

      Abstract: The critical behavior and vapor liquid equilibrium of Lennard Jones (L J) fluid were investigated by grand ensemble Monte Carlo simulation. Based on the complete scaling, we used Q parameter method combined with histogram reweighting and finite size scaling theory to estimate critical temperature and density of L J fluid. The results show that Tc* is 1.316 4±0.001 7 and ρc* is 0.316 7±0.000 7, which are consistent with those presented in former reports. We also calculated the vapor liquid phase equilibrium properties and critical asymmetry. For the L J fluid we found |t|1-α term dominated the coexistence curve diameter, while the contribution of |t|2β term was weak.

       

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