Green CO۲ capture using carbonic anhydrase model enzyme: DFT approach

The catalytic cycle of carbonic anhydrase (CA) enzyme using the immobilization of CA active site modelon mesoporous silica amin-functionalized by ۳-aminopropyltriethoxysilane (APTES) and using glutaraldehydelinker as a green biocatalyst was investigated employing DFT calculations in the gas and solvent to CO۲ capture.

کلیدواژه ها:

Carbonic anhydrase ، CO۲ capture ، Mechanism ، DFT calculations