用逐次逼近法解O-Z积分方程求非电解质溶液的活度系数
CALCULATION OF THE ACTIVITY COEFFICIENTS OF NONELECTROLYTIC SOLUTIONS BY SOLVING THE ORNSTEIN-ZERMIKE INTEGRAL EQUATION
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摘要: <正> 本文采用Lennard-Jones 12-6位能,以逐次逼近法解由团展开理论所得的Ornstein-Zermike积分方程,求20℃时磷酸三丁酯(TBP)溶解于CHCl_3、C_6H_6、CCl_4及n-C_7H_(16)中溶剂的活度系数。并与平均球近似所得结果作比较。Abstract: The activity coefficients of nonelectrolytic solutions of TBP in solvents CHC13, C6H6, CC14 and n-C7H16 are calculated by solving the integral equation of Ornstein-Zermike in successive approximation. The results are compared with experimental ones and those of the mean sphere approximation.