Institute of Mathematics, Physics and Mechanics, Jadranska 19, SI-1000 Ljubljana, Slovenia.
J Phys Chem A. 2010 Apr 1;114(12):4197-202. doi: 10.1021/jp100374x.
In our previous work [Bren, U., et al. J. Phys. Chem. A 2008, 112, 166] we proposed a novel physical mechanism for microwave catalysis based on rotationally hot reactive species and verified its validity through a Monte Carlo simulation of a realistic chemical reaction: neutral ester hydrolysis. This article represents a continuation of our ongoing effort toward quantitative understanding of the microwave catalytic effect. It provides a derivation of an analytical solution for the microwave catalysis. The obtained expression is compared with the results of the Monte Carlo simulation and is applied to reproduce the microwave catalytic effect experimentally observed in the polyethylene terephthalate solvolysis. Implications for the interactions of microwaves with living organisms in the context of widespread mobile telephony are also discussed.
在我们之前的工作中 [Bren, U., 等人。J. Phys. Chem. A 2008, 112, 166]，我们提出了一种基于旋转热活性物质的微波催化新物理机制，并通过对实际化学反应（中性酯水解）的蒙特卡罗模拟验证了其有效性。本文是我们对微波催化效应进行定量理解的持续努力的延续。它提供了微波催化的解析解的推导。所得到的表达式与蒙特卡罗模拟的结果进行了比较，并应用于再现聚对苯二甲酸乙二酯醇解中实验观察到的微波催化效应。还讨论了在广泛使用移动电话的情况下微波与生物体相互作用的影响。
