Kinetics of the thermal decomposition of CH2F2

被引：4

作者：

Matsugi, Akira ^{[1
]}

Shiina, Hiroumi ^{[1
]}

机构：

[1] Natl Inst Adv Ind Sci & Technol, 16-1 Onogawa, Tsukuba, Ibaraki 3058569, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2018年 / 707卷

关键词：

Shock tube; Master equation; Rate constant; Difluoromethane; Thermal decomposition; ACTIVE THERMOCHEMICAL TABLES; UNIMOLECULAR REACTIONS; SHOCK-WAVE; DISSOCIATION; FLUOROMETHANES; RANGE;

D O I：

10.1016/j.cplett.2018.07.054

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Kinetics of the thermal decomposition reaction CH2F2 -> CHF + HF was studied by laser absorption measurements in a shock tube. The rate constants were determined by analyzing temporal profiles of HF produced in pyrolysis of CH2F2 over the temperature range 1577-2214 K at pressure of similar to 100 kPa in Ar bath. The results were well reproduced by master equation analysis based on RRKM theory and classical trajectory calculations, which gave the following rate constant expressions: k(infinity) = 2.34 x 10(15) exp(-41,550 K/T) s(-1), k(0) = 5.33 x 10(25) (T/K)(-8.635) exp(-44,190 K/T) cm(3) molecule(-1) s(-1), and F-cent = 0.13. (C) 2018 Elsevier B.V. All rights reserved.

引用

页码：140 / 143

页数：4

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