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Internal Thermodynamical Equilibrium And Consequences For Rate Law Expressions For Elementary Chemical And Physical Reactions

机译：基本化学和物理反应的率法表达的内部热力学均衡及其后果

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By viewing reactant species to be in a state of thermodynamical equilibrium with its various members which constitutes a set within a set of topological parameters various states of internal equilibrium within the same species would exist subject to the Gibbs thermodynamical criteria. Some examples from actual ab initio computer simulations show that there exists an empirical relationship between the activity coefficient ratio and the so-called reactivity coefficients, defined as a measure of departure of the rate constant with varying concentration of reactants in a system at equilibrium, where forward and backward rates can still be measured. These ideas are applied to charged reaction dynamics where a generalization of the Bronsted and Bjerrum rate expression is obtained.

机译：通过观察反应物物种，其各种构件在各种构件中构成一组拓扑参数内的各种构件，在同一物种内的各种内部平衡状态将存在于GIBBS热力学标准中。来自实际AB Initio计算机仿真的一些示例表明，活动系数比和所谓的反应性系数之间存在经验关系，定义为速率恒定的速度常离，在平衡时系统的反应物变化，在其中仍可衡量向前和向后速率。这些想法应用于带电的反应动力学，其中获得了伪装和Bjerrum率表达的泛化。

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《International Meeting on Frontiers of Physics》|2009年||共8页
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作者
Christopher G. Jesudason;
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原文格式 PDF
正文语种
中图分类 O4-532;
关键词
rate constants; chemical kinetics; ionic reactions; Bronsted -Bjerrum rate law;

机译：速率常数;化学动力学;离子反应;布朗斯德-BERRUM率法;

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Internal Thermodynamical Equilibrium And Consequences For Rate Law Expressions For Elementary Chemical And Physical Reactions

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