Thermal Decomposition Mechanism and Fire-Extinguishing Performance of trans-1,1,1,4,4,4-Hexafluoro-2-butene: A Potential Candidate for Halon Substitutes

Zhang Haijun; Wang Yue; Wang Xingyu; Zhou Suting; Yu Rourou; Liao Yunlong; Li Jingde; Tan Zhaoyang

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Thermal Decomposition Mechanism and Fire-Extinguishing Performance of trans-1,1,1,4,4,4-Hexafluoro-2-butene: A Potential Candidate for Halon Substitutes

机译：热分解机理和反式1,1,1,4,4,4-六氟-2-丁烯的灭火性能：哈隆替代品的潜在候选者

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In view of the appropriate physicochemical characteristics and environmental friendliness of the trans-1,1,1,4,4,4-hexafluoro-2-butene (HFO-1336mzz(E)) substance, the thermal-decomposition mechanism as well as the fire-extinguishing mechanism and performance of this agent were systematically studied by employing both experimental and theoretical methods in this work. We found that the HFO-1336mzz(E) agent not only has promising thermal stability at room temperature but also exhibits pronounced fire-extinguishing performance, which is comparable to that of HFC-236fa and even better than that of HFC-125 extinguishant. Additionally, the promising fire-extinguishing performance of HFO-1336mzz(E) may result from the physical and chemical extinguishing effect of its thermal-decomposition products including HFO-1336mzz(Z), HC equivalent to CCF3, CF3C equivalent to CCF3, and CF3H, which makes a significant contribution to capturing the free radicals in the flame, as well as cooling and diluting the combustible fuel-air mixture. Both experimental and theoretical results suggest that the HFO-1336mzz(E) agent is a highly recommendable candidate for Halon extinguishant, which is worthy of further investigation and evaluation of its practical applicability in fire-suppression utilization.

机译：鉴于反式-1,1,4,4,4-六氟-2-丁烯（HFO-1336MZZ（E））物质的适当物理化学特性和环境友好性，热分解机制以及通过在这项工作中采用实验和理论方法来系统地研究了这种试剂的灭火机理和性能。我们发现HFO-1336MZZ（E）代理不仅在室温下热稳定性，而且还表现出明显的灭火性能，其与HFC-236FA的脱模性能相当，甚至比HFC-125灭火剂更好。此外，HFO-1336MZZ（E）的有前景的灭火性能可能是由于其热分解产物的物理和化学灭火效果，包括HFO-1336MZMZ（Z），HC当量的CCF3，CF3C等于CCF3，以及CF3H ，这对捕获火焰中的自由基以及冷却和稀释可燃燃料 - 空气混合物来说是显着贡献。实验和理论研究结果表明，HFO-1336MZZ（E）代理是哈龙灭火剂的高度推荐候选者，这是值得进一步调查和评估其在灭火利用中的实际适用性。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2020年第28期|共10页
作者
Zhang Haijun; Wang Yue; Wang Xingyu; Zhou Suting; Yu Rourou; Liao Yunlong; Li Jingde; Tan Zhaoyang;
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作者单位

Civil Aviat Univ China Ctr Aircraft Fire &

Emergency Dept Safety Engn Tianjin 300300 Peoples R China;

Hebei Univ Technol Sch Chem Engn &

Technol Tianjin 300130 Peoples R China;

Civil Aviat Univ China Ctr Aircraft Fire &

Emergency Dept Safety Engn Tianjin 300300 Peoples R China;

Civil Aviat Univ China Ctr Aircraft Fire &

Emergency Dept Safety Engn Tianjin 300300 Peoples R China;

Hebei Univ Technol Sch Chem Engn &

Technol Tianjin 300130 Peoples R China;

Civil Aviat Univ China Ctr Aircraft Fire &

Emergency Dept Safety Engn Tianjin 300300 Peoples R China;

Hebei Univ Technol Sch Chem Engn &

Technol Tianjin 300130 Peoples R China;

Hebei Univ Technol Sch Chem Engn &

Technol Tianjin 300130 Peoples R China;

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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. Thermal Decomposition Mechanism and Fire-Extinguishing Performance of trans-1,1,1,4,4,4-Hexafluoro-2-butene: A Potential Candidate for Halon Substitutes [J] . Zhang Haijun, Wang Yue, Wang Xingyu, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2020,第28期

机译：热分解机理和反式1,1,1,4,4,4-六氟-2-丁烯的灭火性能：哈隆替代品的潜在候选者
2. Measurements of PvT Properties, Vapor Pressures, Saturated Densities, and Critical Parameters for trans-1,1,1,4,4,4-Hexafluoro-2-butene (R1336mzz(E)) [J] . Naoya Sakoda, Yukihiro Higashi, Ryo Akasaka Journal of Chemical and Engineering Data: the ACS Journal for Data . 2021,第1期

机译：PVT性能，蒸汽压力，饱和密度和反式1,1,4,4,4,4-六氟-2-丁烯的临界参数的测量（R1336MZZ（E））
3. Measurements of Vapor Pressures for trans-1-Chloro-3,3,3-trifluoropropene (R1233zd(E)) and cis-1,1,1,4,4,4-Hexafluoro-2-butene (R1336mzz(Z)) [J] . Sakoda Naoya, Higashi Yukihiro, Akasaka Ryo Journal of Chemical and Engineering Data: the ACS Journal for Data . 2020,第9期

机译：用于反式1-氯-3,3,3-三氟丙烯的蒸汽压力的测量（R1233ZD（E））和顺式-1,1,4,4,4-六氟-2-丁烯（R1336MZZ（Z））
4. Halon substitute fire-extinguishing agent HFC-125 concentration measurement based on infrared absorption and the research on the effect of relative humidity [C] . Wei Yuan, HePing Zhang, Song Lu 2016 IEEE/CSAA International Conference on Aircraft Utility Systems . 2016

机译：基于红外吸收的哈龙替代灭火剂HFC-125浓度测量及相对湿度影响研究
5. Kinetics and mechanisms of the ligand substitution reactions of cyclopentadienyl M tetracarbonyl, indenyl M tetracarbonyl, M = niobium or tantalum, and molybdenum(2) (carbon monoxide)(6) [mu-eta(5),eta(5)-cyclopentadienylide-carbon alkyl(2)-cyclopentadienylide] with tributylphosphine, triphenylphosphine and triphenylphosphite. Photo-assisted carbonylation of supercritical ethane, ethane and methane in supercritical carbon dioxide by trans-chlorocarbonylbis(trimethylphosphine)rhodium(I). [D] . Lukmanova-Kline, Dinara Maratovna. 2001

机译：动力学和机制的环戊二烯基M四羰基，茚基M四羰基，M =铌或钽和钼（2）（一氧化碳）（6）[mu-eta（5），eta（5）-cyclopentadienylide-碳烷基（2）-环戊二烯基]与三丁基膦，三苯基膦和亚磷酸三苯酯。通过反氯羰基双（三甲基膦）铑（I）在超临界二氧化碳中对超临界乙烷，乙烷和甲烷进行光辅助羰基化。
6. Effect of Isomorphous Substitution on the Thermal Decomposition Mechanism of Hydrotalcites [O] . Sergio Crosby, Doanh Tran, David Cocke, 2014

机译：同构取代对水滑石热分解机理的影响
7. Experimental and Density Functional Theory Studies on 1,1,1,4,4,4-Hexafluoro-2-Butene Pyrolysis [O] . Neng Tao, Changcheng Liu, Haoran Xing, 2020

机译：对1,1,1,4,4,4-六氟-2-丁烯热解的实验和密度泛函理论研究
8. Initial Submission: Ltr fr Halocarbon Prod Corp to USEPA re Toxicity of 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2-butene (99.94%) Mixt W/2-chloro-1,1,1,4,4,4-* W/attchmts, dated 4/7/94. [R] . 1994

机译：初始提交：Ltr fr Halocarbon prod Corp向UsEpa重新毒性2,3-二氯-1,1,1,4,4,4-六氟-2-丁烯（99.94％）混合物W / 2-氯-1,1 ，1,4,4,4- * W / attchmts，日期为4/7/94。

Thermal Decomposition Mechanism and Fire-Extinguishing Performance of trans-1,1,1,4,4,4-Hexafluoro-2-butene: A Potential Candidate for Halon Substitutes

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