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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 shu

STUDY OF THE THERMODYNAMIC PROPERTIES OF NONELECTROLYTE SOLUTION BY MONTE CARLO METHOD

1.
Department of Technical Physics; Peking University

Received Date: 4 December 1987
Available Online: 15 October 1989

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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