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Molecular dynamics study of carbon dioxide desublimation on surfaces with different hydrophobicity

Author

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  • Ren, Ze-Yu
  • Wang, Bing-Bing
  • Qiu, Guo-Dong
  • Bian, Jiang
  • Li, Qiu-Ying
  • Cai, Wei-Hua

Abstract

The desublimation of carbon dioxide in low-temperature heat exchangers is a crucial step for efficient CO2 capture. The material of the heat exchange surface significantly impacts carbon capture efficiency. This study uses molecular dynamics simulations to investigate the desublimation of CO2 on low-temperature plate with varying hydrophobic properties. We analyzed the influence of plate energy and cold source temperature on nucleation dynamics. The results show that as the plate interaction coefficient increases and the plate temperature decreases, the interaction between the plate and CO2 molecules strengthens, enhancing the driving force for CO2 condensation and accelerating the condensation rate. When α exceeds 0.1, the condensation rate becomes less sensitive to changes in temperature and α. The fastest desublimation rate occurs at α = 0.1 and a temperature of 113 K. Additionally, at α = 0.3, a high desublimation rate is observed within the temperature range of 93 K–123 K.

Suggested Citation

  • Ren, Ze-Yu & Wang, Bing-Bing & Qiu, Guo-Dong & Bian, Jiang & Li, Qiu-Ying & Cai, Wei-Hua, 2025. "Molecular dynamics study of carbon dioxide desublimation on surfaces with different hydrophobicity," Energy, Elsevier, vol. 318(C).
    • Handle: RePEc:eee:energy:v:318:y:2025:i:c:s0360544225006140
    DOI: 10.1016/j.energy.2025.134972
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