| 用直接动力学方法确定CF3CHFCF3与Cl原子反应的速率常数 |
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| 引用本文： | 赵媛,宁攀,王丽.用直接动力学方法确定CF3CHFCF3与Cl原子反应的速率常数[J].化学研究,2011,22(1):3-5. |
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| 作者姓名： | 赵媛 宁攀 王丽 |
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| 作者单位： | 河南大学化学,化工学院,环境和分析科学研究所,河南,开封,475004 |
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| 基金项目： | Supported by the Science Foundation of Henan Province(2008A150005); Science Foundation of Henan University (2009YBZR013,SBGJ090507); Doctor Foundation of Henan University |
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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200～2 000 K温度区间内反应的速率常数.
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| 关 键 词： | CF3CHFCF3 Cl原子 速率常数 直接动力学方法 |
Determination of rate constants for reaction of CF3CHFCF3 and CI atom by direct kinetics method |
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| ZHAO Yuan,NING Pan,WANG Li.Determination of rate constants for reaction of CF3CHFCF3 and CI atom by direct kinetics method[J].Chemical Research,2011,22(1):3-5. |
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| Authors: | ZHAO Yuan NING Pan WANG Li |
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| Institution: | ZHAO Yuan,NING Pan,WANG Li(Institute of Environmental and Analytical Sciences,College of Chemistry and Chemical Engineering,Henan University,Kaifeng 475004,Henan,China) |
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| Abstract: | 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). |
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| Keywords: | CF3CHFCF3 Cl atom rate constant direct dynamics method |
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