Evaporation and heat transfer characteristics of CO2 , CF4 and CO2/CF4 on ZnO (10(1)over-bar0) , ZnO (0001) and ZnO (11(2)over-bar1) surfaces

This paper investigated the evaporation processes of CO2, CF4, and CO2/CF4 on ZnO(10 (1) over bar0),ZnO(0001) and ZnO(11 (2) over bar1) surfaces and the heat transfer characteristics during the evaporation. The molecular dynamics simulations are conducted under atmospheric conditions with 145 K, 195 K and 260 K. The results showed that the evaporation of the three kinds of liquids are the highest on ZnO(1121) substrate but the lowest on ZnO(0001) substrate. The evaporation response of CO2 to the temperature has a delay effect compared with that of CF4 and CO2/CF4 mixture. Furthermore, the heat flux fluctuates during the initial evaporation stage, and the temperature increase is more obvious to accelerate the heat transfer balance of CF4 /ZnO and mixture/ZnO systems. The number of evaporated CF4 particles in the CO2 /CF4 mixed system is higher than that in the pure system, indicating that the presence of CO2 will promote the evaporation of CF4. The boiling phenomenon was found for the systems containing CF4 molecules when the temperature is higher than the phase transition temperature, and the bubbles appeared earliest when ZnO(1010) was used as the substrate which makes the heat flux jump obviously in the initial evaporation stage. This study provides insight into the evaporation and heat transfer properties of liquid/solid system with ZnO as the substrate. (C) 2021 Elsevier Ltd. All rights reserved.

Automated summary

This paper investigated the evaporation processes and heat transfer characteristics of CO2, CF4, and CO2/CF4 on different ZnO surfaces through molecular dynamics simulations. The study revealed that the evaporation response of CO2 has a delay effect compared to CF4, and the presence of CO2 promotes the evaporation of CF4.