Abstract

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.

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