排斥对单原子流体的缩和密度缩放的影响
Denis Saric1, Ian H Bell2, Gabriela Guevara-Carrion1
1Thermodynamics, Technical University of Berlin, Ernst-Reuter-Platz 1, 10587 Berlin, Germany.
The Journal of chemical physics
|March 8, 2024
概括
度缩放统一了各种流体的粘度和扩散等运输特性,显示排斥性度不如以前认为的那么重要. 这一发现简化了不同模型的流体行为分析.
科学领域:
- 热力学是一种热力学.
- 流体动力学 流体动力学
- 计算物理 计算物理
背景情况:
- 运输特性 (切割粘度,自我扩散,导热性) 对于理解流体行为至关重要.
- 度缩放已经成为一种强大的工具,可以将这些属性与不同状态和潜力相关联.
- 分子间潜在细节,特别是排斥性度对运输性质缩放的影响仍然是研究领域.
研究的目的:
- 在各种潜在模型中研究简单单原子流体的缩的适用性和稳定性.
- 为了确定排斥指数在输送属性的缩中的作用.
- 为了比较缩量与密度缩量,并探索其与异态理论的关系.
主要方法:
- 对1120个状态点进行了广泛的分子动力学模拟,涵盖了液态和超临界状态.
- 模拟了三个具有不同排斥指数的潜在模型类 (n-6 Mie,白金汉指数六,唐-托尼斯).
- 计算了运输特性和剩余,并与现有数据和相关性进行了比较.
主要成果:
- 缩成功地将所有测试的流体潜在的传输特性 (切割粘度,自我扩散,导热性) 统一到一个主曲线上.
- 发现分子间潜力的排斥性度对尺度运输特性的影响微不足道.
- 即使在皮尔森相关系数 (R) 低于0.9的状态中,透缩放仍然有效,这挑战了以前的假设.
结论:
- 缩提供了一个通用的框架,用于关联简单的单原子流体的运输特性,独立于特定的排斥指数.
- 缩的成功表明,它可能受到更一般的理论框架的支,可能包括异态理论.
- 相比之下,密度缩放显示了对排斥指数的显著依赖,突出了这些缩放方法的独特性质.
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