How does the extent of substitution of methane with chlorine influence the mechanism and kinetics of the reactions between chloromethanes and atomic chlorine


Дәйексөз келтіру

Толық мәтін

Ашық рұқсат Ашық рұқсат
Рұқсат жабық Рұқсат берілді
Рұқсат жабық Тек жазылушылар үшін

Аннотация

A theoretical investigation of the reaction mechanism and kinetics of the reaction between chloromethanes CH4–xClx (x = 1–3) and chlorine atoms was performed. The height of the reaction barrier was found to decrease with the degree of substitution of chloromethanes with atomic chlorine. A direct dynamics method was employed to study the kinetic nature of these hydrogen-abstraction reactions. The sequence of calculated reaction rate coefficients is: k(CH3Cl + Cl) < k(CH2Cl2 + Cl) < k(CHCl3 + Cl).

Авторлар туралы

A. Yu

Institute of Metal Research

Хат алмасуға жауапты Автор.
Email: ayyu@imr.ac.cn
ҚХР, 72, Wenhua Road, Shenyang, Liaoning province, 110016

Q. Hu

Institute of Metal Research

Email: ayyu@imr.ac.cn
ҚХР, 72, Wenhua Road, Shenyang, Liaoning province, 110016

R. Yang

Institute of Metal Research

Email: ayyu@imr.ac.cn
ҚХР, 72, Wenhua Road, Shenyang, Liaoning province, 110016

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