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Exact Invariants of Chemical Reactions with Participation of Two Reagents
Russian Journal of Physical Chemistry B ( IF 1.4 ) Pub Date : 2020-05-27 , DOI: 10.1134/s1990793120020049
V. Kh. Fedotov , N. I. Kol’tsov , P. M. Kosianov

Abstract

Autonomous (temporal) invariants of nonlinear chemical reactions between two reagents are determined. For dynamic models of such reactions, analytical solutions exist that allow exact invariants to be found. Such invariants are ratios that connect non-equilibrium values of reagent concentrations, measured in two experiments with different initial conditions (dual experiments). These ratios remain strictly constant throughout the reaction. The relations obtained in this paper were applied to the study of the nonstationary properties of one-, two-, and three-stage nonlinear reactions proceeding in a closed system with the kinetic law of mass action. The invariant curves found for these reactions are compared with the curves of change in the concentrations of reagents over the entire transition process. It is shown that the dependences of the invariants on time remain strictly constant (have zero order), while the reagent concentrations undergo exponential changes during the transition process. The results obtained expand the understanding of the characteristics of nonlinear chemical reactions and can be used to solve inverse problems of unsteady chemical kinetics and modeling chemical reactors of ideal mixing under isothermal conditions.


中文翻译:

参与两种试剂的化学反应的精确不变量

摘要

确定了两种试剂之间非线性化学反应的自主(时间)不变性。对于此类反应的动力学模型,存在可以找到精确不变性的分析解决方案。这样的不变量是连接试剂浓度的非平衡值的比率,该比率是在两个具有不同初始条件的实验(双重实验)中测得的。在整个反应过程中,这些比例严格保持恒定。本文获得的关系被用于研究一阶,二阶和三阶非线性反应在具有质量作用动力学定律的封闭系统中的非平稳性质。将这些反应的不变曲线与整个过渡过程中试剂浓度的变化曲线进行比较。结果表明,不变性对时间的依赖性严格保持恒定(具有零级),而试剂浓度在过渡过程中经历指数变化。获得的结果拓宽了对非线性化学反应特性的理解,可用于解决不稳定化学动力学的逆问题,并为等温条件下理想混合的化学反应器建模。
更新日期:2020-05-27
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