经过修订的Mie流体Enskog理论:扩散系数,热扩散系数,粘度和导热率的预测
Vegard G Jervell1, Øivind Wilhelmsen1
1Porelab, Department of Chemistry, Norwegian University of Science and Technology, NO-7491 Trondheim, Norway.
The Journal of chemical physics
|June 8, 2023
概括
这项研究引入了修订后的恩斯科格理论,用于使用Mie潜力预测密集气体混合物的运输特性. 新模型准确地预测了各种真实流体的扩散,粘度和导热率.
科学领域:
- 热力学和统计力学的热力学.
- 流体动力学 流体动力学
- 计算化学计算化学
背景情况:
- 传统的恩斯科格理论准确地预测了稀释气体混合物的运输特性.
- 较高密度的预测仅限于硬球体气体.
- 存在对高密度真实流体适用的预测模型的需求.
研究的目的:
- 开发一个修订的恩斯科格理论,用于Mie流体的多元组分混合物.
- 为了实现在更高密度下对运输特性进行完全预测的计算.
- 直接将米电位参数与流体运输特性联系起来.
主要方法:
- 利用巴克-亨德森扰动理论计算接触时的辐射分布函数.
- 回归米电位参数到平衡性质,以实现预测准确度.
- 将修订后的恩斯科格理论应用于Mie流体的多组分混合物.
主要成果:
- 精确预测贵重气体混合物 (在±4%) 和 (在10%内) 的扩散系数.
- 从模拟中重现的CO2/CH4二元扩散系数在20%以内.
- 贵重气体的导热率预测在10%以内,甲,和的粘度预测在±10%.
结论:
- 经过修订的恩斯科格理论为密集的真实流体混合物提供了准确的,可预测的运输属性计算.
- 该框架成功地将Mie潜力与高密度的传输属性联系起来.
- 该模型与各种条件下的扩散,粘度和导热率的实验数据有很好的一致性.
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