Evaluation of CO₂ absorption and stripping process for primary and secondary amines

An effective approach for lowering CO₂ emissions from industrial processes is the absorption method of CO₂ capture. Because of the high energy required to break the bond of the carbamate ions during the stripping process, the intramolecular interaction (repulsive interaction) of N_carbamate-C_carbamate was discovered to be the main interaction. Therefore, the purpose of this study is to examine the amine-CO₂ bond strength for various carbamate molecules during the regeneration process using molecular dynamic modelling, as well as to explore the diffusion coefficient of various amines. The results of interaction intensity show that in comparison to other studied amines for inter–and intra-molecular interactions N, N, N′, N′-tetramethylpropane-1,3-diamine (TMPAD), N-dimethylcyclohexanamine (DMCA) and 4-diethylamino-2-butanol (DEAB) were easy to break. It shows that the TMPAD has the highest repulsive interaction; consequently, it needs the lowest energy to break the carbamate ion in the stripping process as compared to MEA. The order of regeneration energy required to break the bond for N_carbamate-C_carbamate in various selected amines from higher to lower is MEA > 2MAE > PZ > 2DMAE > 2EAE > AMP > 1DMA2P > MCA > DMCA > DEAB > TMPAD. The diffusion coefficient data for various blends reveal that the 2MAE-DEAB blend has the highest rate of diffusion when compared to other blends (2MAE-1DMA2P and 2MAE-TMPAD).