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Combustion mechanism and product characteristics of 2,3,3,3-tetrafluoropropene as an environmentally friendly working fluid for organic Rankine cycle

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  • Chen, Yubo
  • Yang, Zhao
  • Lv, Zijian
  • Zhang, Yong
  • Li, Jie
  • Fei, Teng

Abstract

Organic Rankine cycle (ORC) is an effective way to utilize low-grade energy. 2,3,3,3-tetrafluoropropene (R1234yf) has attracted extensive attention due to its good environmental protection performance and is considered as an alternative working fluid in ORC. However, its thermodynamic, environmental and safety characteristics need to be fully considered. In this paper, the combustion mechanism and product characteristics of R1234yf were investigated by ReaxFF molecular dynamics simulations. The reaction temperature and equivalence ratio have important effects on the combustion of R1234yf. The early stage of the combustion process is mainly the unimolecular decomposition reaction of R1234yf, and then O2 participates in the reaction, the consumption rate of R1234yf increases rapidly, the radicals O, H, OH, CF3, CF2, and CFO play important roles in the combustion reaction. The main combustion products include CO, CO2, HF, and COF2. In addition, the combustion product concentration and yield of R1234yf were tested by an improved method. The results showed that the change law of combustion product yield with equivalence ratio was in good agreement with the simulation results, and the risk of high CO and HF concentrations still exists. The research results have practical significance for the safe application of R1234yf in ORC system.

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  • Chen, Yubo & Yang, Zhao & Lv, Zijian & Zhang, Yong & Li, Jie & Fei, Teng, 2023. "Combustion mechanism and product characteristics of 2,3,3,3-tetrafluoropropene as an environmentally friendly working fluid for organic Rankine cycle," Energy, Elsevier, vol. 268(C).
    • Handle: RePEc:eee:energy:v:268:y:2023:i:c:s0360544223000890
    DOI: 10.1016/j.energy.2023.126695
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    References listed on IDEAS

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    1. Xin, Liyong & Liu, Chao & Tan, Luxi & Xu, Xiaoxiao & Li, Qibin & Huo, Erguang & Sun, Kuan, 2021. "Thermal stability and pyrolysis products of HFO-1234yf as an environment-friendly working fluid for Organic Rankine Cycle," Energy, Elsevier, vol. 228(C).
    2. Huo, Erguang & Liu, Chao & Xu, Xiaoxiao & Li, Qibin & Dang, Chaobin & Wang, Shukun & Zhang, Cheng, 2019. "The oxidation decom position mechanisms of HFO-1336mzz(Z) as an environmentally friendly refrigerant in O2/H2O environment," Energy, Elsevier, vol. 185(C), pages 1154-1162.
    3. Shu, Gequn & Liu, Lina & Tian, Hua & Wei, Haiqiao & Yu, Guopeng, 2014. "Parametric and working fluid analysis of a dual-loop organic Rankine cycle (DORC) used in engine waste heat recovery," Applied Energy, Elsevier, vol. 113(C), pages 1188-1198.
    4. Hong, Dikun & Li, Ping & Si, Ting & Guo, Xin, 2021. "ReaxFF simulations of the synergistic effect mechanisms during co-pyrolysis of coal and polyethylene/polystyrene," Energy, Elsevier, vol. 218(C).
    5. Yang, Zhao & Wu, Xi & Tian, Tian, 2015. "Flammability of Trans-1, 3, 3, 3-tetrafluoroprop-1-ene and its binary blends," Energy, Elsevier, vol. 91(C), pages 386-392.
    6. Yamada, Noboru & Mohamad, Md Nor Anuar & Kien, Trinh Trung, 2012. "Study on thermal efficiency of low- to medium-temperature organic Rankine cycles using HFO−1234yf," Renewable Energy, Elsevier, vol. 41(C), pages 368-375.
    7. Hong, Dikun & Gao, Peng & Wang, Chunbo, 2022. "A comprehensive understanding of the synergistic effect during co-pyrolysis of polyvinyl chloride (PVC) and coal," Energy, Elsevier, vol. 239(PC).
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