2,3,3,3-四氟丙烯热解行为的实验与理论研究

IF 1.7 4区 化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR
Rui Zhai , Yuan Zhuang , Siwei Tan , Jingchun Tang
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引用次数: 0

摘要

采用流动反应器热解装置,结合同步加速器真空紫外光电离质谱和气相色谱法,研究了2,3,3,3-四氟丙烯(R1234yf)的热解行为。在常压下测定了热解温度、反应产物和中间产物。实验结果表明,R1234yf的初始热解温度为1040K,随着温度的升高,热分解速度加快。结果表明,在1160 K下,R1234yf的热解反应将被自聚合反应所取代。为了探究R1234yf热解的化学过程,进行了详细的动力学模拟,并与实验结果进行了对比。计算结果表明,单分子分解路径在整个热解过程中占主导地位。热解实验检测了C2H2、C2HF、CF2、CHF3、CF4和CF3CF3等中间产物。此外,还讨论了CF2、C2H2、CF4、CF3CF3和HF等重要氟化物质的分布特征及敏感性分析。这些发现可以为建立热解模型提供可靠的数据,并为R1234yf在制冷系统中的使用提供指导。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Experimental and theorical study on the pyrolysis behaviors of 2,3,3,3-tetrafluroropropene

Experimental and theorical study on the pyrolysis behaviors of 2,3,3,3-tetrafluroropropene

The pyrolysis behaviors of 2,3,3,3-tetrafluroropropene (R1234yf) had been first studied in a flow reactor pyrolysis apparatus coupled with the synchrotron vacuum ultraviolet photoionization mass spectrometry and gas chromatography. The pyrolysis temperature, reaction products and intermediates were measured at atmospheric pressure. The experimental results revealed that the initial pyrolysis temperature of R1234yf was 1040K and the thermal decomposition was accelerated with the increase of temperature. It was found that the pyrolysis reaction of R1234yf will be replaced by a self-polymerization reaction at 1160 K. In order to explore the chemical process of R1234yf pyrolysis, a detailed kinetic simulation was performed and compared with experimental results. The calculated results indicated that the unimolecular decomposition paths took a dominant role in the whole pyrolysis processes. The intermediates of C2H2, C2HF, CF2, CHF3, CF4 and CF3CF3 were detected in the pyrolysis experiments. Moreover, the distribution characteristics and sensitivity analysis of the vital fluorinated species of CF2, C2H2, CF4, CF3CF3 and HF were discussed. All of these founding could provide reliable data for the development of pyrolysis models and guidance for the use of R1234yf in the refrigeration system.

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来源期刊
Journal of Fluorine Chemistry
Journal of Fluorine Chemistry 化学-无机化学与核化学
CiteScore
3.80
自引率
10.50%
发文量
99
审稿时长
33 days
期刊介绍: The Journal of Fluorine Chemistry contains reviews, original papers and short communications. The journal covers all aspects of pure and applied research on the chemistry as well as on the applications of fluorine, and of compounds or materials where fluorine exercises significant effects. This can include all chemistry research areas (inorganic, organic, organometallic, macromolecular and physical chemistry) but also includes papers on biological/biochemical related aspects of Fluorine chemistry as well as medicinal, agrochemical and pharmacological research. The Journal of Fluorine Chemistry also publishes environmental and industrial papers dealing with aspects of Fluorine chemistry on energy and material sciences. Preparative and physico-chemical investigations as well as theoretical, structural and mechanistic aspects are covered. The Journal, however, does not accept work of purely routine nature. For reviews and special issues on particular topics of fluorine chemistry or from selected symposia, please contact the Regional Editors for further details.
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