• 利用密度泛函理论分子动力学方法,对处于平行墙之间流体的密度分布进行计算

    The density profile of hard sphere fluid confined in two parallel hard walls was studied by using Rosenfeld density Functional Theory (DFT) and Molecular Dynamics (MD) simulation method.

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  • 基于理论及方阱流体配位数模型,建立了适用于链状流体的微扰硬球状态方程

    Based on the perturbation theory, the Perturbed Square Well chain Equation of State (PSWC EOS) for chain like liquid system has been developed.

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  • 链式模型扩散系数方程统计流体理论(SAFT)相结合起来。

    The new associating hard sphere chain equation combined the hard sphere chain model (HSC) of self-diffusion coefficient with the statistical associating fluid theory (SAFT).

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  • 硬球-静电参考流体,采用微扰理论建立了电解质溶液的状态方程。

    By taking the neutral hard sphere-charged hard sphere mixture as reference fluid, an EOS for density calculation is developed with perturbation theory.

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  • 硬球-静电参考流体,采用微扰理论建立了电解质溶液的状态方程。

    By taking the neutral hard sphere-charged hard sphere mixture as reference fluid, an EOS for density calculation is developed with perturbation theory.

    youdao

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