首页> 外文会议>Meeting of the Eastern States Section of the Combustion Institute >A fitting formula for the fall-off curves of unimolecular reactions with tunneling
【24h】

A fitting formula for the fall-off curves of unimolecular reactions with tunneling

机译:隧道单分子反应衰落曲线的拟合配方

获取原文

摘要

A fitting formula was recently proposed (Zhang & Law 2009) to approximate the falloff curves of unimolecular reaction rate constants, yielding improved performance as compared with previous formulas in all reactions tested except for the strongly tunneling-affected reaction C2H3 → C_2H_2+H. In this work, we first formulated the effects of tunneling on the shape of the falloff curves based on Troe's weak collision model of unimolecular reaction rates. An alternate fitting formula, which includes an additional tunneling-correction parameter, is proposed from the formulation and examined for several tunneling models. The present expression shows improved performance in fitting tunneling-affected reaction rates as compared to previous formulas.
机译:最近提出了一种拟合配方(张律2009),以近似单分子反应速率常数的衰减曲线,除了在受到强隧道受影响的反应C2H3→C_2H_2 + H后的所有反应外,与先前的所有反应相比,均产生改善的性能。在这项工作中,我们首先制定了隧道隧道对衰减曲线形状的影响,基于TROE的单分子反应速率的碰撞模型。包括另外的隧道校正参数,包括另外的隧道校正参数,并从制剂中提出并检查了几种隧道模型。与先前的公式相比,本表达显示出拟合隧道受影响的反应速率的改进性能。

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