Chemical absorption is an effective method to capture CO₂ in industry. The advanced solvent is the key to improve CO₂ capture performance. The single atom fluid, containing a single metal atom in a solvent, is developed as a new solvent to reduce the energy consumption. A density functional theory model coupled with fluid flow is developed for the single atom fluid to capture CO₂. The experiment is performed to validate the model. According to the model, the effects of temperature, pressure, and weight fraction on CO₂ capture performance are studied carefully. It is concluded that the CO₂ desorption occurs at 333 K and the mass transfer coefficient is improved up to 17.95%. The film stretch phenomenon is identified, which produces the slag phenomenon by increasing and decreasing of temperature, pressure, and weight fraction to intensify the CO₂ capture. The mass transfer coefficient improvement is attributed to thinner film, resulting in mass transfer resistance reduction. The energy consumption is finally reduced to 0.85 GJ/t against the conventional 3.0 to 3.9 GJ/t. This provides an alternative and effective method for CO₂ capture.

中文翻译：

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金属原子强化二氧化碳解吸

_{化学吸收是工业中捕获CO 2}的有效方法。先进的溶剂是提高CO ₂捕集性能的关键。在溶剂中含有单个金属原子的单原子流体被开发为一种新的溶剂以降低能耗。_{针对单原子流体捕获CO 2}，建立了与流体流动耦合的密度泛函理论模型。进行实验以验证模型。根据该模型，仔细研究了温度、压力和重量分数对 CO _{2捕集性能的影响。}得出的结论是 CO ₂解吸发生在 333 K，传质系数提高到 17.95%。识别出薄膜拉伸现象，通过升高和降低温度、压力和重量分数来加强CO ₂的捕集，从而产生夹渣现象。传质系数的提高归因于薄膜变薄，导致传质阻力降低。能耗最终从传统的 3.0 到 3.9 GJ/t 降低到 0.85 GJ/t。_{这为CO 2}捕获提供了一种替代且有效的方法。