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Supercritical carbon dioxide is widely used in various fields as a circulating working fluid. Exploring the microstructure of supercritical carbon dioxide can help promote its industrial applications. This study used small angle scattering method to investigate the molecular aggregation states in the near critical point region and the pseudo-critical line, and compared them through molecular dynamics method. Research has found that as the temperature increases, the scale and magnitude of the density fluctuation decrease, and the distribution of carbon dioxide molecules becomes more uniform.

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Analysis of Fluctuations of Supercritical Region CO2 by Small Angle Neutron Scattering (SANS) Experiments and MD Simulations

  • 章节

  • 发表日期：

    2025年

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  • Lichao He,
  • Rui Zhang,
  • Yongchang Feng,
  • Lin Chen

摘要

Supercritical carbon dioxide is widely used in various fields as a circulating working fluid. Exploring the microstructure of supercritical carbon dioxide can help promote its industrial applications. This study used small angle scattering method to investigate the molecular aggregation states in the near critical point region and the pseudo-critical line, and compared them through molecular dynamics method. Research has found that as the temperature increases, the scale and magnitude of the density fluctuation decrease, and the distribution of carbon dioxide molecules becomes more uniform.