A chemical kinetic mechanism for combustion and flame propagation of CH2F2/O2/N2 mixtures

被引：10
作者：
Burgess, Donald R., Jr. [1 ]
Babushok, Valeri, I [2 ]
Manion, Jeffrey A. [1 ]
机构：
[1] NIST, Chem Sci Div, Gaithersburg, MD 20899 USA
[2] NIST, Energy & Environm Div, Gaithersburg, MD 20899 USA
来源：
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS | 2022年 / 54卷 / 03期
关键词：
chemical kinetics; flame modeling; flame propagation; hydrofluorocarbons; laminar burning velocity; reaction mechanism; HYDROGEN ABSTRACTION REACTIONS; POTENTIAL-ENERGY SURFACES; ATOM-RADICAL KINETICS; GAS-PHASE KINETICS; INTERMEDIATE SPECIES PROFILES; TEMPERATURE RATE CONSTANTS; ABSOLUTE RATE CONSTANTS; REFLECTED SHOCK-TUBE; METHANE-AIR FLAMES; AB-INITIO;
D O I：
10.1002/kin.21549
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：
In this work, we compiled and evaluated rate expressions for reactions relevant to the decomposition and combustion of CH2F2 (difluoromethane, refrigerant R-32) in CH2F2/O-2/N-2 flames. The recommended values have been used in premixed flame calculations, reported elsewhere, to model experimentally derived burning velocities determined using a constant volume spherical flame method. In this work, we also provide a detailed description of the reaction pathways for decomposition and combustion of CH2F2. This work is part of a larger effort at NIST to characterize and predict the flammability of new refrigerant working fluids and their blends for consideration as replacements of current refrigerants with high global warming potentials.
引用
收藏
页码：154 / 187
页数：34
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