Nucleation mechanism of methane heterogeneous condensation under different driving forces

Y Wang and ZX Wang and BB Wang and Q Li and J Bian and YH Hua and WH Cai, ENERGY, 309, 133049 (2024).

DOI: 10.1016/j.energy.2024.133049

Clarifying alkane gas condensation characteristics is crucial to designing and optimizing liquefaction heat exchangers, which imposes higher demands on the microscopic understanding of alkane heterogeneous condensation. Thus, in this study, the condensation process of methane nucleation under different driving forces is investigated by molecular dynamics (MD) simulations. The dynamics characteristics of nucleation in methane heterogeneous condensation are analyzed by varying initial gas- phase pressure, cold wall temperature, and ethane content. The results showed that increasing the initial gas-phase pressure enhances intermolecular interactions, which alter the cluster formation path and significantly increase the methane gas nucleation rate from 1.997 x 10(33)/(m(3)s) to 1.068 x 10(34)/(m(3)s). While lowering the cold wall temperature promotes condensation by weakening the thermal motion of the gas molecules. Once condensation nuclei form in the system, the lower temperature conditions from lowering the cold wall temperature result in a higher growth rate of the clusters. Additionally, the addition of easily condensable component ethane can improve the condensation nucleation characteristics of low-saturated methane gas, facilitating the liquefaction of methane. This study aims to provide a microscopic understanding of the advancement of gas liquefaction technology by investigating the heterogeneous nucleation of alkane under different conditions from a microscopic perspective.

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