Enhancing carbon capture: Exploring droplet wetting and gas condensation of carbon dioxide on nanostructured surfaces

The investigation of carbon dioxide (CO2) condensation on heat exchange surfaces is essential to the advancement of carbon capture, utilization, and storage (CCUS) technology. Molecular dynamics simulations are employed to explore the wetting and condensation behavior of CO2 on nanostructured surfaces. The results indicate that the contact angle of CO2 droplets on nanostructured surfaces is greater than that on smooth surfaces. Increasing the pillar height (h) or solid fraction (f) induces the transition of CO2 droplets from the Wenzel to Cassie state, resulting in an increased contact angle. Nanostructured surfaces significantly enhance the nucleation rate, with molecules initially nucleating at the bottom of the pillars. A higher h or f accelerates the nucleation rate during the condensation. Droplets in the Wenzel state exhibit higher heat transfer efficiency than those in the Cassie state. Additionally, the formation of Cassie-state CO2 droplets undergoes a dewetting transition, altering the heat conduction mode. The dewetting behavior of CO2 droplets favors their detachment from the surface, potentially reducing the initial heat resistance. Therefore, appropriately increasing h and f can promote nucleation and droplet growth, enhancing dewetting transition and mass transfer performance. These simulation results hold great importance for inspiring the design of future CO2-phobic surfaces and guiding CO2 condensation production.