{"title":"2,3,3,3-四氟丙烯热解行为的实验与理论研究","authors":"Rui Zhai , Yuan Zhuang , Siwei Tan , Jingchun Tang","doi":"10.1016/j.jfluchem.2023.110161","DOIUrl":null,"url":null,"abstract":"<div><p><span><span><span>The pyrolysis behaviors of 2,3,3,3-tetrafluroropropene (R1234yf) had been first studied in a flow </span>reactor pyrolysis apparatus coupled with the </span>synchrotron<span><span><span> vacuum ultraviolet photoionization mass spectrometry and </span>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 </span>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 C</span></span><sub>2</sub>H<sub>2</sub>, C<sub>2</sub>HF, CF<sub>2</sub>, CHF<sub>3</sub>, CF<sub>4</sub> and CF<sub>3</sub>CF<sub>3</sub> were detected in the pyrolysis experiments. Moreover, the distribution characteristics and sensitivity analysis of the vital fluorinated species of CF<sub>2</sub>, C<sub>2</sub>H<sub>2</sub>, CF<sub>4</sub>, CF<sub>3</sub>CF<sub>3</sub> 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.</p></div>","PeriodicalId":357,"journal":{"name":"Journal of Fluorine Chemistry","volume":null,"pages":null},"PeriodicalIF":1.7000,"publicationDate":"2023-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Experimental and theorical study on the pyrolysis behaviors of 2,3,3,3-tetrafluroropropene\",\"authors\":\"Rui Zhai , Yuan Zhuang , Siwei Tan , Jingchun Tang\",\"doi\":\"10.1016/j.jfluchem.2023.110161\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p><span><span><span>The pyrolysis behaviors of 2,3,3,3-tetrafluroropropene (R1234yf) had been first studied in a flow </span>reactor pyrolysis apparatus coupled with the </span>synchrotron<span><span><span> vacuum ultraviolet photoionization mass spectrometry and </span>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 </span>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 C</span></span><sub>2</sub>H<sub>2</sub>, C<sub>2</sub>HF, CF<sub>2</sub>, CHF<sub>3</sub>, CF<sub>4</sub> and CF<sub>3</sub>CF<sub>3</sub> were detected in the pyrolysis experiments. Moreover, the distribution characteristics and sensitivity analysis of the vital fluorinated species of CF<sub>2</sub>, C<sub>2</sub>H<sub>2</sub>, CF<sub>4</sub>, CF<sub>3</sub>CF<sub>3</sub> 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.</p></div>\",\"PeriodicalId\":357,\"journal\":{\"name\":\"Journal of Fluorine Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2023-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Fluorine Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022113923000763\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Fluorine Chemistry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022113923000763","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
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.
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.