The “conservatively perturbed equilibrium” (CPE) technique for a complex chemical system is computationally analyzed in a batch reactor considering different linear mechanisms with three and four species. Contrary to traditional chemical relaxation procedures, in CPE experiments only some initial concentrations are modified; other conditions, including the total amount of chemical elements and temperature are kept unchanged. Generally, for “unperturbed” species with initial concentrations equal to their corresponding equilibrium concentrations, unavoidable extreme values are observed during relaxation to the equilibrium. If the unperturbed species is involved in one step only, this extremum is a momentary equilibrium of the step; if the unperturbed species is involved in more reactions, the extremum is not a momentary equilibrium. The acyclic mechanism with four species may exhibit two extrema and an inflection point, which corresponds to an extremum of the rate of the species change. These facts provide essential information about the detailed mechanism of the complex reaction.

中文翻译：

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扰动和未扰动：分析保守扰动平衡（线性情况）


考虑到三种和四种物质的不同线性机制，在间歇反应器中对复杂化学系统的“保守扰动平衡”（CPE）技术进行计算分析。与传统的化学弛豫程序相反，在 CPE 实验中仅修改了一些初始浓度；其他条件，包括化学元素总量和温度保持不变。一般来说，对于初始浓度等于其相应平衡浓度的“未受扰动”物种，在松弛至平衡期间观察到不可避免的极值。如果未受扰动的物种仅涉及一个步骤，则该极值是该步骤的瞬时平衡；如果未受扰动的物质参与更多反应，则极值不是瞬时平衡。具有四个物种的非循环机制可能表现出两个极值和一个拐点，其对应于物种变化速率的极值。这些事实提供了有关复杂反应详细机制的重要信息。