LAUSR

Abstract Carbon dioxide capture significantly helps achieve the carbon neutral goal. Chemical absorption of CO2 by the solvent meets the bottleneck of the high energy consumption. An advanced solvent of CuH/PANI/TEMPO has been developed to reduce the energy consumption. The metal hydride CuH decomposes into the Cu atom to intensify the thermoelectric effect between PANI and TEMPO. The strong thermoelectric effect has the potential to enhance the CO2 desorption. DFT model and mass and energy transfer model in the nano-scale are developed accurately to quantify the system of CO2 and CuH/PANI/TEMPO. The CO2 fraction, electron density and velocity in the nano-domain are studied. It is found that the symmetrical electron density zone is produced. The mass transfer coefficient is improved by 2.15 times with 4.65 × 10−6 m/s and the energy consumption is reduced to 1.02GJ/tCO2. The thermoelectric conversion accounts for 31.4%–43.5% of the overall energy transfer.