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Molecular dynamics simulations of homogeneous condensation and thermophysical properties of HFO1123 and its binary blends with HFC134a at 273.15 K to 298.15 K

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Abstract

The hydrofluoroolefin (HFO) refrigerant R1123 (1,1,2-trifluoroethene) and its blends with R134a are excellent alternative choices for refrigeration systems, considering environmental issues and system performance. Molecular dynamics (MD) simulations were performed to investigate the homogeneous condensation process and to predict the density and isobaric heat capacity of pure R1123 and its binary blends with R134a. The condensation rate of pure R1123 and the (R1123+R134a) blends was higher at lower condensation temperatures. The vapor molecules went through a rapid phase transition to a subcooled liquid state during a particular time period, and the potential energy of the molecular systems was drastically reduced at this time. During condensation, clusters of molecules were initially formed, and they subsequently aggregated to develop a condensate droplet. The liquid density and isobaric heat capacity of pure R1123 and its four blends were predicted for the temperature range of 273.15 K to 298.15 K.

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Acknowledgments

This work was supported by a 2-Year Research Grant of Pusan National University.

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Authors and Affiliations

  1. Department of Mathematics, Jagannath University, Dhaka, 1100, Bangladesh

    Md. Sarwar Alam

  2. School of Mechanical Engineering, Pusan National University, Busan, 46241, Korea

    Ji Hwan Jeong

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  1. Md. Sarwar Alam
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Correspondence to Ji Hwan Jeong.

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Ji Hwan Jeong is a Professor of the School of Mechanical Engineering at Pusan National University in Busan, Korea. He received his Bachelor’s degree in Nuclear Engineering from Seoul National University in 1988 and his master’s degree and Ph.D. in nuclear engineering from KAIST in 1990 and 1995. His research interests include heat transfer augmentation, heat exchangers, refrigeration, and heat pump.

Md. Sarwar Alam is a Professor of the Department of Mathematics at Jagannath University in Dhaka, Bangladesh. He received his Bachelor’s degree and Master’s degree in Mathematics from Dhaka University in 1998 and 2000. He received his Ph.D. in Applied Mathematics from Bangladesh University of Engineering and Technology. He was a Post-doctor in the School of Mechanical Engineering at Pusan National University in Busan, Korea. His research interests include MD simulations, thermodynamic properties and condensations process of working fluids.

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Alam, M.S., Jeong, J.H. Molecular dynamics simulations of homogeneous condensation and thermophysical properties of HFO1123 and its binary blends with HFC134a at 273.15 K to 298.15 K. J Mech Sci Technol 35, 2247–2258 (2021). https://doi.org/10.1007/s12206-021-0441-3

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