On the Interrelations Between Kinetics and Thermodynamics as the Theories of Trajectories and States
On the Interrelations Between Kinetics and Thermodynamics as the Theories of Trajectories and States
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作为轨迹和状态理论的动力学和热力学之间的相互关系
DOI：
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发表时间：
2012
期刊：
影响因子：
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通讯作者：
M. Zarodnyuk
中科院分区：
文献类型：
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作者：
B. Kaganovich;A. Keiko;V. Shamansky;M. Zarodnyuk
动力学和热力学之间存在着密切的必然联系，这是专家们所熟知的真理。很明显，基于宏观世界（热力学）最普遍规律的科学命题应该用于随时间推移的宏观过程（化学和宏观动力学）的理论中。在大多数情况下，一般原理在解决特定动力学问题时的应用结果与其使用的特殊性有关。遵守一个或另一个原则或规则可能需要寻找问题的原始物理化学陈述，数学模型和计算方法。动力学方程的热力学分析技术在（Feinberg，1972，1999; Horn和杰克逊，1972;戈尔班，1984; Yablonsky等人，1991）和其他研究人员的作品。世纪后半叶，由于计算机和数学规划（MP）数值方法的迅速发展，轨线理论和状态理论之间的关系性质发生了质的变化。由于从解析解过渡到迭代、逐步搜索过程，大大简化了对问题的形式化描述。本章的目的是分析简化动力学模型的可能性，并在平衡热力学原理的基础上展开实现这些可能性的方法。
Existence of close and obligatory relations between kinetics and thermodynamics is the truth well known to experts. It is clear that propositions of the science based on the most general regularities of the macroscopic world (thermodynamics) should be used in the theories of macroscopic processes running over time (chemical and macroscopic kinetics). Application of general principles in solving specific kinetic problems in the majority of cases turns out to be related to specificity of their use. Observance of one or another principle or rule can require search for original both physicochemical statement of the problem, and mathematical model, and computational method. The art of thermodynamic analysis of kinetic equations was demonstrated in (Feinberg, 1972, 1999; Horn and Jackson, 1972; Gorban, 1984; Yablonsky et al., 1991) and works by other researchers. The character of relations between the theories of trajectories and theories of states changed qualitatively in the second half of the 20th century due to rapid development of computers and numerical methods of mathematical programming (MP). It became possible to considerably simplify formalized descriptions of problems owing to the transition from their analytical solutions to iterative, stepwise search processes. Analysis of possibilities to simplify the kinetic models and unfolding the methods to implement these possibilities on the basis of equilibrium thermodynamic principles constitute the aim of the chapter.