...
首页> 外文期刊>The Journal of Chemical Physics >The influence of the quencher concentration on the rate of simple bimolecular reaction:Molecular dynamics study.II
【24h】

The influence of the quencher concentration on the rate of simple bimolecular reaction:Molecular dynamics study.II

机译:淬灭剂浓度对简单双分子反应速率的影响:分子动力学研究II

获取原文
获取原文并翻译 | 示例
           

摘要

In this paper new results of the simulations [M.Litniewski,J.Chem.Phys.123,124506 (2005)] on the influence of the quencher concentration on the reaction A +B -> C+B for the identical soft sphere system are presented.The problem is generalized by considering also the case when the spheres are immersed in the Brownian medium.A significant difference between simple deterministic systems and the Brownian ones is found:the excess in the rate coefficient for the Brownian system is constant and positive,except for very short times.The reaction has been simulated for a very long time,but any tendency to decrease the excess has not been noted.It is also shown that the relative excess in the surviving probability is a universal quadratic function of the quencher concentration for the range of time much longer than the result from the previous simulations.A very strong correlation between the excess in the relative value of spatial correlations between the reagents and the excess in the rate coefficient is shown.It is also shown that the A-A and A-C interactions have some influence on the excess values.A simple model for this effect is presented.
机译:在本文中,模拟[M.Litniewski,J.Chem.Phys.123,124506(2005)]的新结果对相同软球系统中淬灭剂浓度对反应A + B-> C + B的影响通过考虑球体浸入布朗介质的情况来推广该问题。发现简单确定性系统与布朗系统之间存在显着差异:布朗系统的速率系数的超额是常数且为正除了很短的时间外,已经模拟了很长一段时间的反应,但是没有发现降低过量的任何趋势。还表明存活概率中的相对过量是淬灭剂的通用二次函数。浓度范围内的时间比以前的模拟结果长得多。试剂之间空间相关的相对值的过量与速率系数的过量之间存在非常强的相关性还显示了A-A和A-C相互作用对超额值有一定影响,为此建立了一个简单的模型。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号