| 摘要: |
| CO2在粗糙固体壁面上的润湿行为对CO2冷凝捕集技术具有重要意义。采用分子动力学方法探究微结构、势能及温度对CO2液滴润湿的影响。结果表明:相较于平板壁面,微结构壁面提高了CO2液滴的接触角；在微结构壁面上势能参数影响CO2液滴的润湿状态,在栏栅结构壁面上CO2液滴从Cassie-Baxter状态转向Wenzel状态,而在三角和斜坡结构壁面上CO2液滴均保持Wenzel状态,3种壁面上CO2液滴的接触角均随势能参数的增大而减小；此外随着体系温度升高,CO2分子克服界面能垒由液相转向气相,使得液滴尺寸变小,液滴的接触角稍有减小。 |
| 关键词: 粗糙壁面 润湿性 CO2液滴 接触角 分子动力学 |
| DOI：10.3969/j.issn.1673-5005.2024.02.018 |
| 分类号: |
| 文献标识码:A |
| 基金项目: |
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SONG Fenhong, JIANG Yuhui, WANG Zhiyuan, WANG Zhongxu, FAN Jing
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(School of Energy and Power Engineering, Northeast Electric Power University, Jilin 132012, China)
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| Abstract: |
| Understanding the role of rough solid substrates on the CO2 droplet's wetting characteristics is of importance for CO2 capture by dropwise condensation. The molecular dynamic method was adopted to investigate the effect of microstructures, potential energy and temperature on the wetting behaviors of CO2 droplets. The results show that the contact angle of CO2 droplets is enhanced on the microstructured substrate in comparison with the smooth substrate. The wetting state of the CO2 droplets is affected by the potential energy parameters on the micro-structured substrate. On the solid surface with fence structures, the CO2 droplets change from the Cassie-Baxter state to the Wenzel state, while on the surface with the triangular and ramp structures CO2 droplets are always at the Wenzel state. With the increase of the potential energy parameters, all the corresponding contact angles of CO2 droplets on the three solid surfaces decrease. Moreover, as the temperature increases, the CO2 molecules overcome the interface energy barrier from the liquid phase to the gas phase, resulting in the decrease of the droplet size. The contact angle of droplets decreases very slightly with the increase of temperature. |
| Key words: roughness wall wettability CO2 droplet contact angle molecular dynamics |
