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首页> 外文期刊>The Journal of Chemical Physics >Diffusion-influenced excited-state reversible transfer reactions, A* plus B reversible arrow C* plus D, with two different lifetimes: Theories and simulations - art. no. 034507
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Diffusion-influenced excited-state reversible transfer reactions, A* plus B reversible arrow C* plus D, with two different lifetimes: Theories and simulations - art. no. 034507

机译:扩散影响的激发态可逆转移反应,A *加B可逆箭头C *加D,具有两种不同的寿命:理论和模拟-艺术。没有。 034507

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摘要

We report accurate Brownian simulation results for the kinetics of the pseudo-first-order diffusion-influenced excited-state reversible transfer reaction A(*)+B reversible arrow C-*+D with two different lifetimes using two different propagation algorithms. The results are used to test approximate solutions for this many-particle problem. Available theories fail when one of the two reactions or (decay) rate constants is large. To remedy this situation, we develop two uniform approximations, which are based on introducing a generalized Smoluchowski term into the relaxation-time approximation. The best of these is the extended unified theory of reversible target reactions, which reduces correctly in all limits and exhibits superior agreement with simulations. (c) 2005 American Institute of Physics.
机译:我们报告了精确的布朗仿真结果,其中使用两种不同的传播算法,以两种不同的寿命对拟一阶扩散影响的激发态可逆转移反应A(*)+ B可逆箭头C-* + D的动力学进行了研究。结果用于测试此多粒子问题的近似解。当两个反应或(衰减)速率常数之一很大时,可用的理论就会失败。为了解决这种情况,我们基于将广义Smoluchowski项引入弛豫时间近似中,开发了两个统一近似。其中最好的是可逆目标反应的扩展统一理论,该理论可在所有限制范围内正确降低并与仿真显示出极好的一致性。 (c)2005年美国物理研究所。

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