物理化学学报 >> 1989, Vol. 5 >> Issue (05): 578-582.doi: 10.3866/PKU.WHXB19890513
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肖定为; 钟云霄
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Xiao Dingwei; Zhong Yunxiao*
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Abstract: In recent years the Monte Carlo sampling technique has proved its value for calculating the thermodynamic properties of model fluids and solids. In this paper, the osmotic pressures are calculated by Metropolis Monte Carlo techniques. The activity coefficients of solvents in various TBP-diluent systems are obtained.The results are in agreement with experimental data and other theoretical values.A special tech nique is developed which improves the convergence of the calculation considerably.
肖定为;钟云霄. 用Monte Carlo方法研究非电解质溶液的热力学性质[J]. 物理化学学报, 1989, 5(05): 578-582.
Xiao Dingwei; Zhong Yunxiao*. STUDY OF THE THERMODYNAMIC PROPERTIES OF NONELECTROLYTE SOLUTION BY MONTE CARLO METHOD[J]. Acta Phys. -Chim. Sin., 1989, 5(05): 578-582.
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http://www.whxb.pku.edu.cn/CN/Y1989/V5/I05/578
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