A New Molecular Thermodynamic Model and Its Applications (l)A New Analytic Equation for Molecular Radial Distribution Function and Its Verification

李继定; 李以圭; 陆九芳; 滕藤

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A New Molecular Thermodynamic Model and Its Applications (l)A New Analytic Equation for Molecular Radial Distribution Function and Its Verification

更新时间：2025-12-16

- A New Molecular Thermodynamic Model and Its Applications (l)A New Analytic Equation for Molecular Radial Distribution Function and Its Verification
- CIESC Journal Issue 1, (1990)
- 作者机构：
  
  清华大学化学工程系,清华大学化学工程系,清华大学化学工程系,清华大学化学工程系 ,北京,北京,北京,北京
- 作者简介：
- 基金信息：
- DOI：
  CLC：
- Online First：25 February 1990，
  
  Published：25 February 1990
- 稿件说明：
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李继定, 李以圭, 陆九芳, et al. A New Molecular Thermodynamic Model and Its Applications (l)A New Analytic Equation for Molecular Radial Distribution Function and Its Verification[J]. CIESC Journal, 1990, (1).
DOI：

李继定, 李以圭, 陆九芳, et al. A New Molecular Thermodynamic Model and Its Applications (l)A New Analytic Equation for Molecular Radial Distribution Function and Its Verification[J]. CIESC Journal, 1990, (1). DOI：

摘要

根据液体的性质、实验现象及统计力学原理

根据总相关函数h(r)与阻尼振动之间存在的相似性

经过分析和数学处理得到了非电解质溶液径向分布函数表达式.应用该式于LJ流体、液态氩以及二元混合溶液体系

计算结果与文验、计算机模拟结果吻合较好.

Abstract

In this paper an analytic equation for the molecular radial distribution function of liquid solutions is proposed on the basis of the properties of liquid solution

the experimental phenomena

statistical thermodynamics and some similarity between total relation function and damping oscillation. The molecular radial distribution functions for pure Lennard-Jones fluid and for liquid argon calculated by the equation are compared with the computer simulation data and the experimental data with good agreement. Excess mixing enthalpy for several binary liquid mixtures calculated by the new model are also compared with the predictions of other theories and with experimental data.

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