用条件能量概率求化学反应速率常数的还原论方法
Reductionist approach to chemical rate constants using conditional energy probabilities
摘要：
不同的速率理论产生了类似形式的速率常数，与唯象的阿耳忒弥斯定律一致，尽管它们来自物理学的各个分支，包括经典热力学、统计学和量子力学。这种趋同性支持了阿克里先乌斯定律的有效性，但也暗示了一个更简单的基本原理的存在。本文提出了一种简化的方法，其中能量指数因子是能量足够的条件概率，而指前因子是有利于反应的构型的重现频率，它本身与混沌系统中的构型概率成正比。这种极简而严格的数学方法使得绕过某些更复杂理论的可疑假设成为可能，并澄清了所使用的不同类型能量的含义：活化能，阈值能量和化学能。
英文摘要：
Different rate theories yielded similar forms of rates constants consistent with the phenomenological Arrhenius law, although they were derived from various branches of physics including classical thermodynamics, statistical and quantum mechanics. This convergence supports the validity of the Arrhenius law but also suggests the existence of an even simpler underlying principle. A reductionnist approach is proposed here in which the energetic exponential factor is a conditional probability of sufficient energy and the pre-exponential factor is the frequency of recurrence of the configuration favorable to the reaction, itself proportional to a configurational probability in a chaotic system. This minimalist while rigorous mathematical approach makes it possible to bypass certain questionable postulates of more sophisticated theories and clarifies the meaning of the different types of energies used: activation energy, threshold energy and chemical energy.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
