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Modeling the Dynamics of Secondary Photoreactions
Russian Journal of Physical Chemistry A ( IF 0.7 ) Pub Date : 2021-08-22 , DOI: 10.1134/s0036024421080203
V. A. Morozov 1
Affiliation  

Abstract

A system of equations is obtained for describing the dynamics of the secondary photoreaction of two-level molecules emitting spontaneous fluorescence at initial excitation of one of them. The system is derived using the Schrödinger equation for the compound system of a reagent molecule, a reaction product molecule, and a quantized radiation field. Unlike those commonly used in similar modeling, optical Bloch equations describing the dynamics of a non-selective (collective) population of the ground states of two molecules (i.e., the total number of molecules of a pair in their ground states), the system of equations (and its generalization allowing for the longitudinal and transverse relaxation of excited states of molecules) allows estimates of the relative number of reagent molecules and the product in their ground states, the use of which provides a complete idea of the effectiveness of the reaction.



中文翻译:

二次光反应动力学建模

摘要

获得了一个方程系统,用于描述在其中一个初始激发时发出自发荧光的二级分子的二次光反应动力学。该系统是使用薛定谔方程推导出来的,用于试剂分子、反应产物分子和量子化辐射场的复合系统。与类似建模中常用的那些不同,光学布洛赫方程描述了两个分子的基态的非选择性(集体)群体的动力学(即,处于基态的一对分子的总数),方程(及其泛化允许分子激发态的纵向和横向弛豫)允许估计试剂分子及其基态产物的相对数量,

更新日期:2021-08-23
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