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用直接动力学方法确定CF_3CHFCF_3与Cl原子反应的速率常数(英文)

Determination of rate constants for reaction of CF_3CHFCF_3 and Cl atom by direct kinetics method
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摘要 采用直接动力学方法研究了CF3CHFCF3与氯原子反应的动力学特性,利用包含小曲率隧道效应的正则变分过渡态理论确定了200~2000 K温度区间内反应的速率常数. The kinetic properties of the hydrogen abstraction reaction of CF3CHFCF3 and Cl,generating CF3CFCF3 plus HCl,were investigated using direct kinetics method.The rate constants for the reaction over a wide temperature range of 200-2 000 K were determined by making use of canonical variational transition state theory（CVT） involving small-curvature tunneling correction（SCT）.
作者 赵媛 宁攀 王丽
机构地区 河南大学化学化工学院环境和分析科学研究所
出处 《化学研究》 CAS 2011年第1期3-5,共3页 Chemical Research
基金 Supported by the Science Foundation of Henan Province(2008A150005) Science Foundation of Henan University (2009YBZR013,SBGJ090507) Doctor Foundation of Henan University
关键词 CF3CHFCF3 CL原子 速率常数 直接动力学方法 CF3CHFCF3 Cl atom rate constant direct dynamics method
分类号 O643.1 [理学—物理化学]
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参考文献12

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化学研究
2011年 第1期

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