Carbon Dioxide Elimination from Natural Gas Using γ-CA: Kinetic point of view

Carbon dioxide is a natural gas contaminant which is considered as a greenhouse gas and therefore it can lead to air pollution, global carbon cycle disordering, livingorganisms and human health endangering and etc. on the other hand carbonic anhydrases (CAs) family is classified in prevalent metalloenzymes group which canplay catalytic role for the hydration of carbon dioxide to bicarbonate ion. In the present study the role of cobaltcation as a central atom in active centre of γ-CA catalyst has been studied extensively by mechanical quantum calculations. The two usual proposed mechanismsincluding rotational mechanism and proton transferring for the internal bicarbonate rearrangement have been examined employing UB3LYP/6-31G* method. Thisarticle specifically allocated to study the firt mechanism which is called Lindskog Mechanism

کلیدواژه ها:

carbonic anhydrase ، carbon dioxide ، natural gas ، cobalt ، mechanical quantum calculations