一种新的二元Lennard-Jones链式流体互扩散系数计算公式

何茂刚; 郭盈; 钟秋; 张颖

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一种新的二元Lennard-Jones链式流体互扩散系数计算公式

更新时间：2025-05-01

- 一种新的二元Lennard-Jones链式流体互扩散系数计算公式
- A New Correlation on Predicting Mutual Diffusion Coefficient of Binary Lennard-Jones Chain Fluid
- 西安交通大学学报 2010年44卷第3期页码：1-5
- 作者机构：
  
  西安交通大学动力工程多相流国家重点实验室,西安,710049
- 作者简介：
- 基金信息：
  
  : 2009-07-16. 作者简介: 何茂刚(1970-), 男, 教授, 博士生导师. 基金项目: 国家自然科学基金资助项目(50676069, 50836004)
- DOI：
  中图分类号： TK121
- 网络首发：2010-03-10，
  
  纸质出版：2010
- 稿件说明：
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何茂刚, 郭盈, 钟秋, 等. 一种新的二元Lennard-Jones链式流体互扩散系数计算公式[J]. 西安交通大学学报, 2010,44(3):1-5.

A New Correlation on Predicting Mutual Diffusion Coefficient of Binary Lennard-Jones Chain Fluid[J]. 2010, 44(3): 1-5.
何茂刚, 郭盈, 钟秋, 等. 一种新的二元Lennard-Jones链式流体互扩散系数计算公式[J]. 西安交通大学学报, 2010,44(3):1-5. DOI：

A New Correlation on Predicting Mutual Diffusion Coefficient of Binary Lennard-Jones Chain Fluid[J]. 2010, 44(3): 1-5. DOI：

摘要

在前期工作提出的Lennard-Jones链式(LJC)流体自扩散系数计算公式的基础上

将计算平衡性质物性参数的范得瓦尔斯混合法则尝试应用于迁移性质的计算中

提出了一种新的计算二元LJC流体互扩散系数的计算公式.公式不包含二元可调参数

物理意义更加明确.通过不同温度、组分范围的12对二元LJC流体的270个实验点对新的方法进行了验证

新公式计算结果与实验值的平均绝对偏差为6.98%.与其他计算方法的比较结果显示

该计算方法具有更高的精度.

Abstract

On the basis of the equation for predicting self-diffusion coefficients of Lennard Jones chain fluid proposed in our previous work

the van der Waals mixing rule to calculate the equilibrium properties is adopted to the calculation of the transport properties in this paper. A new correlation to predict the mutual diffusion coefficient of binary LJC fluid is proposed. The present correlation has no binary adjusted parameter and its physical meaning is more explicit. The calculation results agree with the experimental data of 12 binary LJC systems over the wide ranges of temperature and composition with an average absolute deviation of 6.98%

indicating the higher accuracy and effectiveness of the new equation.

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references

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