On the Positivity of Entropy Production in Multiphase Thermodynamic Systems

Aarón Romo-Hernandez; Nicolas Hudon; B. Erik Ydstie; Denis Dochain

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On the Positivity of Entropy Production in Multiphase Thermodynamic Systems

机译：多相热力学系统中熵产生的正性

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Multiphase processes are frequently assumed to evolve restricted by thermodynamic equilibrium relations. In this article, we study the possibility of multiphase systems to evolve far from thermodynamic equilibrium while contained in what we call a domain of physical feasibility. We show that processes evolving in the domain of feasibility have a positive definite internal entropy production rate. Being positive definite, the internal entropy production stands as a Lyapunov function candidate to characterize the stability of equilibrium for irreversible multiphase systems contained in the feasibility domain. In addition, the thermodynamic-based approach considered in our study provides phenomenological insight into the dynamic properties of multiphase systems. Counter-flow interface molar transport processes, for instance, are found to be thermodynamically stable provided that the transport is bounded by a function that depends on the deviation from thermodynamic equilibrium.

机译：通常假设多相过程受热力学平衡关系的限制而发展。在本文中，我们研究了多相系统从热力学平衡演变而来的可能性，同时又将其包含在所谓的物理可行性范围内。我们表明，在可行性领域内发展的过程具有正的确定的内部熵生产率。内部熵的产生是正定的，可以作为李雅普诺夫函数的候选项，用以描述可行性域中不可逆多相系统平衡的稳定性。另外，在我们的研究中考虑的基于热力学的方法为多相系统的动力学特性提供了现象学上的见识。例如，发现逆流界面的摩尔迁移过程是热力学稳定的，前提是该迁移过程受一个函数的限制，该函数取决于与热力学平衡的偏差。

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《IFAC PapersOnLine》 |2019年第7期|共6页
作者
Aarón Romo-Hernandez; Nicolas Hudon; B. Erik Ydstie; Denis Dochain;
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中图分类自动化技术、计算机技术;
关键词
Non-equilibrium thermodynamicsIrreversible thermodynamicsMultiphase systemsFlash-drumLyapunov stabilityInternal entropy production;

机译：非平衡热力学不可逆的热力学多相系统闪鼓Lyapunov稳定性内部熵产生;

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1. On the Positivity of Entropy Production in Multiphase Thermodynamic Systems [J] . Aarón Romo-Hernandez, Nicolas Hudon, B. Erik Ydstie, IFAC PapersOnLine . 2019,第7期

机译：多相热力学系统中熵产生的正性
2. Stochastic thermodynamics and entropy production of chemical reaction systems [J] . Tome Tania, de Oliveira Mario J. The Journal of Chemical Physics . 2018,第22期

机译：化学反应系统的随机热力学和熵生产
3. Why Linear Thermodynamics Does Describe Change of Entropy Production in Living Systems? [J] . Alexey A. Zotin Natural science . 2014,第7期

机译：为什么线性热力学描述了生命系统中熵产生的变化？
4. On the Positivity of Entropy Production in Multiphase Thermodynamic Systems [C] . Aaron Romo-Hernandez, Nicolas Hudon, B. Erik Ydstie, IFAC Workshop on Thermodynamic Foundations of Mathematical Systems Theory . 2020

机译：关于多相热力学系统熵产生的积极性
5. Assessing the minimum entropy production rate principle for multiphase flow using the thermodynamically constrained averaging theory approach. [D] . Bronson, Sydney J. 2014

机译：使用热力学约束平均理论方法评估多相流的最小熵生产率原理。
6. A basic introduction to the thermodynamics of the Earth system far from equilibrium and maximum entropy production [O] . A. Kleidon 2010

机译：基本介绍地球系统的热力学远离平衡和最大熵产生
7. The thermodynamic changes that occur upon mixing five models of formamide and three models of water, including the miscibility of these model combinations itself, is studied by performing Monte Carlo computer simulations using an appropriately chosen thermodynamic cycle and the method of thermodynamic integration. The results show that the mixing of these two components is close to the ideal mixing, as both the energy and entropy of mixing turn out to be rather close to the ideal term in the entire composition range. Concerning the energy of mixing, the OPLS/AA-mod model of formamide behaves in a qualitatively different way than the other models considered. Thus, this model results in negative, while the other ones in positive energy of mixing values in combination with all three water models considered. Experimental data supports this latter behavior. Although the Helmholtz free energy of mixing always turns out to be negative in the entire composition range, the majority of the model combinations tested either show limited miscibility, or, at least, approach the miscibility limit very closely in certain compositions. Concerning both the miscibility and the energy of mixing of these model combinations, we recommend the use of the combination of the CHARMM formamide and TIP4P water models in simulations of water-formamide mixtures. [O] . Kiss, Bálint, Fábián, Balázs, Idrissi, Abdenacer, 2017

机译：通过使用适当选择的热力学循环和热力学积分方法进行蒙特卡罗计算机模拟，研究了将五种甲酰胺模型和三种水模型混合在一起时发生的热力学变化，包括这些模型组合本身的可混溶性。结果表明这两种组分的混合接近于理想的混合，因为混合的能量和熵在整个组成范围内都非常接近理想的项。关于混合的能量，甲酰胺的OPLS / AA-mod模型与其他模型相比，在质量上有不同的表现。因此，该模型得出的结果是负的，而其他模型则综合考虑了所有三个水模型的结果的正能量。实验数据支持后一种行为。尽管混合的亥姆霍兹自由能在整个组成范围内始终为负，但大多数测试模型组合显示出有限的混溶性，或至少非常接近某些组合物的混溶性极限。关于这些模型组合的可混溶性和混合能量，我们建议在水-甲酰胺混合物的模拟中使用CHARMM甲酰胺和TIP4P水模型的组合。

On the Positivity of Entropy Production in Multiphase Thermodynamic Systems

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