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Thermal decomposition mechanism of environment-friendly mixture refrigerant by theoretical study.

Number: 1048

Author(s) : XIN L., LIU C., LI Q., HUO E.

Summary

R513A (R1234yf/R134a) and R454C (R1234yf/R32) are promising mixture working fluids used in Organic Rankin Cycle (ORC) system because of their low global warming potential (GWP) and good thermal performance. This paper mainly contributed to the thermal decomposition mechanism study of R513A and R454C. Firstly, the initiation reactions of working fluids pyrolysis are researched by density functional theory (DFT). Then, the pyrolysis mechanism and pyrolysis products of pure working fluids (R1234yf, R134a and R32) and mixture working fluids (R513A and R454C) are studied by ReaxFF molecular dynamics simulations, respectively. It is found that F radical is the main factor for the interaction
of the two working fluids in R513A. Finally, simulation calculations are carried out on working fluids under different pressures. The change of pyrolysis rate with the pressure is obtained. The results reported that the pyrolysis rates of the working fluids increase with the increases of pressure. These results will provide general guiding significance for the application of R513A and R454C.

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Details

  • Original title: Thermal decomposition mechanism of environment-friendly mixture refrigerant by theoretical study.
  • Record ID : 30028813
  • Languages: English
  • Subject: Technology
  • Source: 2nd IIR Conference on HFO Refrigerants and Low GWP Blends
  • Publication date: 2021/06
  • DOI: http://dx.doi.org/10.18462/iir.HFO.2021.1048
  • Document available for consultation in the library of the IIR headquarters only.

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