Molecular dynamic simulation of light alkanes flash evaporation

Numerical analysis of flash evaporation is a vital issue due to its rapid nature and varying thermodynamic properties. In this study, molecular dynamic simulation is employed to simulate flash evaporation. A novel simulation setup is introduced and used at molecular scales. Light alkanes (methane, ethane, and propane) are considered due to their presence in biofuels. The flash evaporation rate of these substances is of particular interest, given the state of the atmospheric boiling point temperature. Results indicated that the heavier the alkane, the later the saturation condition is obtained. Moreover, it is shown that the final equilibrium temperature of the flash is considerably lower than the liquid's initial temperature. Additionally, by examining the flashing at different temperatures, the influence of the higher initial temperature on the flash evaporation rate is investigated. The increased temperature made the evaporation process occur faster in an exponential manner. Moreover, the scalability of the flash evaporation rate from the micro to the macro scale is studied by increasing the system's volume through both area and height. Results revealed that the flash evaporation rate is independent of the volume of the environment, which leads to the scalability of the flash by including only the area of the liquid surfaces.

Automated summary

This study uses molecular dynamic simulation to investigate the flash evaporation process of light alkanes at different temperatures. The results show that the heavier the alkane, the later the saturation condition is obtained. The final equilibrium temperature of the flash evaporation is considerably lower than the initial temperature of the liquid. Furthermore, the flash evaporation rate is found to be independent of the volume of the environment, indicating the scalability of the flash evaporation process based on the liquid surface area.