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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
Journal of Mechanical Science and Technology ( IF 1.5 ) Pub Date : 2021-04-20 , DOI: 10.1007/s12206-021-0441-3
Md. Sarwar Alam , Ji Hwan Jeong

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.



中文翻译:

HFO1123及其与HFC134a的二元共混物在273.15 K至298.15 K上的均相缩合和热物理性质的分子动力学模拟

考虑到环境问题和系统性能,氢氟烯烃(HFO)制冷剂R1123(1,1,2-三氟乙烯)及其与R134a的共混物是制冷系统的绝佳替代选择。进行了分子动力学(MD)模拟,以研究均相缩合过程并预测纯R1123及其与R134a的二元共混物的密度和等压热容量。纯R1123和(R1123 + R134a)共混物的缩合速率在较低的缩合温度下较高。在特定时间段内,蒸汽分子经历了快速的相变,转变为过冷的液态,此时分子系统的势能急剧下降。在缩合过程中,最初形成了分子簇,随后它们聚集形成冷凝液滴。预测在273.15 K至298.15 K的温度范围内,纯R1123及其四种共混物的液体密度和等压热容量。

更新日期:2021-04-20
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