Competitive diffusion-influenced reaction of a reactive particle with two static sinks
Competitive diffusion-influenced reaction of a reactive particle with two static sinks
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DOI：
10.1021/jp0568881
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发表时间：
2006-04-13
影响因子：
2.9
通讯作者：
Green, NJB
中科院分区：
文献类型：
--
作者：
Bluett, VM;Green, NJB
对扩散粒子和两个静态球形汇系统之间的反应动力学进行了研究。使用吸收和辐射边界条件求解后向扩散方程，以获得与每个汇发生反应的概率。还计算每个反应的速率常数。汇的反应性被证明是次加性的，并且如果汇是不对称的，则反应性较小的汇受到竞争的影响更强烈。发现可以通过使用有效反应半径来充分模拟竞争效应。由于两个接收器的相关性，IRT 方法对于此类系统存在严重缺陷。提出了 OH 自由基与胸苷反应的应用。
An investigation into the kinetics of reaction between a diffusing particle and a system of two static spherical sinks is presented. The backward diffusion equation is solved for the probability of reaction with each sink, using both absorbing and radiation boundary conditions. The rate constants for each reaction are also calculated. The reactivity of the sinks is shown to be subadditive, and if the sinks are asymmetric the less reactive sink is more strongly affected by the competition. Competitive effects are found to be modeled adequately by using effective reaction radii. The IRT method is shown to have serious defects for such a system because of the correlation of the two sinks. An application to the reaction of OH radicals with thymidine is presented.