模型用于预测列纳德-斯流体的配置附加流体及其运输系数
D M Heyes1, D Dini1, S Pieprzyk2
1Department of Mechanical Engineering, Imperial College London, Exhibition Road, South Kensington, London SW7 2AZ, United Kingdom.
The Journal of chemical physics
|August 28, 2024
概括
我们比较了三种公式,这些公式是对列纳德-斯流体中恒定的多余线的近似. 分析同型线 (AIL) 和冷同型线 (FMIL) 准确地表示配置的亚亚巴特,支持它们用于预测流体特性.
科学领域:
- 计算物理和化学 计算物理和化学
- 流体的热力学流体的热力学
- 统计力学就是统计力学.
背景情况:
- 由常数过量 (S_ex) 定义的配置,对于理解流体行为至关重要.
- 为了理论和计算效率,需要对这些adiabats的近似公式.
- 之前的工作由Heyes等人. 引入了一个分析同型直线 (AIL) 近似.
研究的目的:
- 为了比较Lennard-Jones流体中的配置亚底巴线的三个近似公式的准确性.
- 为了评估这些近似的有效性跨不同的流体密度和温度,到液体-蒸汽双极.
- 为了评估运输特性 (自我扩散,剪切粘度,导热性) 沿着这些近似的酸盐的恒定性.
主要方法:
- 对配置亚亚巴特的三种近似公式进行比较:分析同型线 (AIL),结同型线 (FIL) 和结同型线 (FMIL).
- 对Lennard-Jones流体在各种密度和温度范围内进行分析.
- 检查自扩散系数 (D),剪切粘度 (ηs) 和导热率 (λ) 在这些方面的行为.
主要成果:
- 在AIL和FMIL公式准确地表示配置的adiabats到液体-蒸汽二极管.
- 液体蒸汽二极管和冷线附近的FIL近似值偏离了一个配置的adiabat.
- 运输特性 (D, ηs, λ) 在AIL和FMIL沿线保持不变,但在双节附近的高密度下,在FIL沿线显示偏差.
结论:
- 常量线 (常量密度线) 实际上是简单模型系统中常量过量的线.
- 该AIL提供了一个准确和分析方法,用于预测莱纳德-斯流体和的粘度和扩散.
- 这些发现支持了理论框架,将过量的与简单流体中的热力学和传输特性联系起来.
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