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Crystallization and nucleation mechanism of heavy hydrocarbons in natural gas

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  • Guo, Dan
  • Cao, Xuewen
  • Ding, Gaoya
  • Zhang, Pan
  • Liu, Yang
  • Bian, Jiang

Abstract

In natural gas liquefaction process, the pre-crystallization of heavy components contributes to the heterogeneous nucleation of methane, which may provide insights for the optimization of traditional processing and liquefaction process. However, the crystallization mechanism of heavy hydrocarbons has not been solved yet and the applicability of existing nucleation models to heavy hydrocarbons remains unclear. To tackle this mystery, molecular dynamics simulations were conducted to examine the crystallization of heavy hydrocarbons thermodynamically and kinetically, and explore the nucleation pathway directly related to the crystallization kinetics. The results indicate that the energy cost of heavy hydrocarbon crystallization is the reduction of Lennard-Jones energy and torsion angle energy, and the crystallization is intrinsically a process of orientational symmetry breaking in heavy hydrocarbon structure. Besides, the orientational symmetry breaking is found to be strongly size-dependent and it is more marked for droplets with less than 1000 molecules. A unified picture was proposed for the crystallization pathway, as manifest in the preordering of surface molecules, surface crystallization and internal layer-by-layer crystallization, respectively. Further, the occurrence of internal crystallization and the orientational symmetry breaking are coupled and competitive. Moreover, a non-classical two-step model for the homogeneous nucleation of heavy hydrocarbon droplets was established.

Suggested Citation

  • Guo, Dan & Cao, Xuewen & Ding, Gaoya & Zhang, Pan & Liu, Yang & Bian, Jiang, 2022. "Crystallization and nucleation mechanism of heavy hydrocarbons in natural gas," Energy, Elsevier, vol. 239(PB).
    • Handle: RePEc:eee:energy:v:239:y:2022:i:pb:s0360544221023197
    DOI: 10.1016/j.energy.2021.122071
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    References listed on IDEAS

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    1. Bian, Jiang & Cao, Xuewen & Yang, Wen & Song, Xiaodan & Xiang, Chengcheng & Gao, Song, 2019. "Condensation characteristics of natural gas in the supersonic liquefaction process," Energy, Elsevier, vol. 168(C), pages 99-110.
    2. Chen, Lei & Wang, Shanyou & Tao, Wenquan, 2019. "A study on thermodynamic and transport properties of carbon dioxide using molecular dynamics simulation," Energy, Elsevier, vol. 179(C), pages 1094-1102.
    3. Nguyen, Tuong-Van & de Oliveira Júnior, Silvio, 2018. "System evaluation of offshore platforms with gas liquefaction processes," Energy, Elsevier, vol. 144(C), pages 594-606.
    4. Martin Fitzner & Gabriele C. Sosso & Fabio Pietrucci & Silvio Pipolo & Angelos Michaelides, 2017. "Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation," Nature Communications, Nature, vol. 8(1), pages 1-7, December.
    5. Zhang, Ruihang & Wu, Chufan & Song, Wuwenjie & Deng, Chun & Yang, Minbo, 2020. "Energy integration of LNG light hydrocarbon recovery and air separation: Process design and technic-economic analysis," Energy, Elsevier, vol. 207(C).
    6. J. A. Sellberg & C. Huang & T. A. McQueen & N. D. Loh & H. Laksmono & D. Schlesinger & R. G. Sierra & D. Nordlund & C. Y. Hampton & D. Starodub & D. P. DePonte & M. Beye & C. Chen & A. V. Martin & A. , 2014. "Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature," Nature, Nature, vol. 510(7505), pages 381-384, June.
    7. Wouter J. E. M. Habraken & Jinhui Tao & Laura J. Brylka & Heiner Friedrich & Luca Bertinetti & Anna S. Schenk & Andreas Verch & Vladimir Dmitrovic & Paul H. H. Bomans & Peter M. Frederik & Jozua Laven, 2013. "Ion-association complexes unite classical and non-classical theories for the biomimetic nucleation of calcium phosphate," Nature Communications, Nature, vol. 4(1), pages 1-12, June.
    8. Yang, Xu & Zhou, Wenning & Liu, Xunliang & Yan, Yuying, 2020. "A multiscale approach for simulation of shale gas transport in organic nanopores," Energy, Elsevier, vol. 210(C).
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    Cited by:

    1. Xueyuan Long & Qian Huang & Yuan Tian & Lingyan Mu, 2022. "Effects of the Operating Parameters of Supersonic Separators on the Supersonic Liquefaction Characteristics of Natural Gas," Energies, MDPI, vol. 15(7), pages 1-16, March.
    2. Guo, Dan & Cao, Xuewen & Zhang, Pan & Ding, Gaoya & Liu, Yang & Cao, Hengguang & Bian, Jiang, 2022. "Heterogeneous condensation mechanism of methane-hexane binary mixture," Energy, Elsevier, vol. 256(C).
    3. Bian, Jiang & Ding, Gaoya & Guo, Dan & Cao, Hengguang & Liu, Yang & Cao, Xuewen, 2023. "Surface crystallization mechanism of n-hexane droplets," Energy, Elsevier, vol. 263(PD).
    4. Bian, Jiang & Guo, Dan & Li, Yuxuan & Cai, Weihua & Hua, Yihuai & Cao, Xuewen, 2022. "Homogeneous nucleation and condensation mechanism of methane gas: A molecular simulation perspective," Energy, Elsevier, vol. 249(C).

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