4.7 Article

Heterogeneous condensation mechanism of methane-hexane binary mixture

期刊

ENERGY
卷 256, 期 -, 页码 -

出版社

PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.energy.2022.124627

关键词

Heterogeneous condensation; Natural gas; Nucleation; Molecular dynamics simulation; Methane; n-hexane

资金

  1. National Natural Science Foundation of China [52104071, 52074341, U21B2087]
  2. Natural Science Foundation of Shandong Province [ZR2021QE030]

向作者/读者索取更多资源

The condensation mechanism of alkanes plays a crucial role in improving the liquefaction efficiency of natural gas. This study investigates the homogeneous and heterogeneous condensation characteristics of methane and examines the influence of n-hexane molecules. The results demonstrate that n-hexane can greatly enhance the nucleation rate and liquefaction ratio of methane.
The condensation mechanism of alkanes is an essential foundation for improving the liquefaction effi-ciency of natural gas. However, a microscopic understanding of this mechanism is still lacking. This study analyzes the homogeneous and heterogeneous condensation characteristics of methane and explores the influence mechanisms of n-hexane molecules. The results reveal that higher initial pressures cause more intense nucleation stages with more latent heat released. Moreover, changes in the monomer temper-ature lag behind changes in cluster temperature, which is particularly pronounced in low supersatura-tion systems. Trace amounts of n-hexane can greatly improve the nucleation rate and liquefaction ratio of methane. The pre-condensed n-hexane clusters serve as a surface for heterogeneous methane nucle-ation, lowering the nucleation barrier significantly. As the number of n-hexane molecules increases, the nucleation promotion effect is further enhanced. With increased subcooling, the promotion effect lg (J/J0) drops from 17 to approximately 2. Furthermore, the heterogeneous condensation of n-hexane and methane mixture comprises three processes: n-hexane condensation with methane molecular adhesion, methane aggregation on n-hexane nuclei, and surface growth of methane clusters accompanied by n -hexane dissolution. Moreover, methane with lower surface tension always dominates in the cluster surface region. (c) 2022 Elsevier Ltd. All rights reserved.

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