引用本文:
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.
doi:
10.3866/PKU.WHXB19890513
Citation: Xiao Dingwei, Zhong Yunxiao*. STUDY OF THE THERMODYNAMIC PROPERTIES OF NONELECTROLYTE SOLUTION BY MONTE CARLO METHOD[J]. Acta Physico-Chimica Sinica, 1989, 5(05): 578-582. doi: 10.3866/PKU.WHXB19890513
Citation: Xiao Dingwei, Zhong Yunxiao*. STUDY OF THE THERMODYNAMIC PROPERTIES OF NONELECTROLYTE SOLUTION BY MONTE CARLO METHOD[J]. Acta Physico-Chimica Sinica, 1989, 5(05): 578-582. doi: 10.3866/PKU.WHXB19890513
用Monte Carlo方法研究非电解质溶液的热力学性质
English
STUDY OF THE THERMODYNAMIC PROPERTIES OF NONELECTROLYTE SOLUTION BY MONTE CARLO METHOD
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.
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