MECHANISTIC DETAILS OF THE OSCILLATORY BELOUSOV-ZHABOTINSKII REACTION
MECHANISTIC DETAILS OF THE OSCILLATORY BELOUSOV-ZHABOTINSKII REACTION
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DOI：
10.1021/j100381a039
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发表时间：
1990-09-06
影响因子：
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通讯作者：
FIELD, RJ
中科院分区：
文献类型：
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作者：
GYORGYI, L;TURANYI, T;FIELD, RJ
构成振荡 Belousov-Zhabotinskii (BZ) 反应机理的反应可分为无机子集和有机子集。前者已经很成熟并被普遍接受，但后者仍在开发中。在过去的几年里，人们在有机子集的组分反应方面进行了大量的工作，但很少有人将这项工作的结果纳入改进的 BZ 机制中。我们这样做并提出了一个包含 80 个基元反应和 26 个可变物种浓度的 BZ 机制，它实现了有关复杂有机化学的最新实验结果和建议。探索了有机自由基作为第二控制中间体的可能作用。无机子集的速率常数也根据酸度效应进行调整。该模型在定量或半定量模拟最近的一些 BZ 实验方面的性能明显优于以前的模型。确定了需要进一步工作的几个领域。
The reactions constituting the mechanism of the oscillatory Belousov-Zhabotinskii (BZ) reaction may be divided into an inorganic and an organic subset. The former is well established and generally accepted, but the latter remains under development. There has been considerable work on component reactions of the organic subset over the past few years, but little effort has been made toincorporate the results of this work into an improved BZ mechanism. We do so and present a BZ mechanism containing 80 elementary reactions and 26 variable species concentrations and which implements recent experimental results and suggestions concerning the complicated organic chemistry involved. Thepossible role of organicradicals as a second control intermediate is explored. The rate constants of the inorganic subset also are adjusted for acidity effects. The performance of the model in simulating eitherquantitatively or semiquantitatively a number of recent BZ experiments is substantially better than that of previous models. Several areas in need of furtherwork are identified.