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首页> 外文期刊>The Journal of Chemical Physics >Solution of the associative mean spherical approximation for a multicomponent dimerizing hard-sphere multi-Yukawa fluid
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Solution of the associative mean spherical approximation for a multicomponent dimerizing hard-sphere multi-Yukawa fluid

机译:多组分二聚化硬球多汤川流体的平均平均球逼近解

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摘要

The analytical solution of the associative mean spherical approximation (AMSA1 for a Yukawa dimerizing multicomponent hard-sphere fluid is derived. The general multi-Yukawa case is discussed. The simpler one-Yukawa case with factorizable coefficients is explicitly solved. As in the previously discussed electrolyte case the solution of the AMSA reduces to the solution of only one nonlinear algebraic equation for the scaling parameter ~ The analytical results for the AMSA closure is illustrated by numerical examples and computer simulation for the one-component one-Yukawa dimerizing fluid. Good agreement between theoretical and computer simulation results was found for both the thermodynamic properties and the structure of the system.
机译:推导了汤河二聚多组分硬球流体的平均平均球面近似法(AMSA1)的解析解,讨论了一般的多汤河情况,明确解决了可分解系数更简单的一汤河情况。电解液情况下,AMSA的溶液还原为比例参数仅一个非线性代数方程的溶液〜通过数值实例和单组分一汤川二聚液的计算机模拟,说明了AMSA封闭的分析结果。在理论和计算机仿真结果之间找到了热力学性质和系统结构。

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