To investigate the performance of the absorbents with high absorption capacity and strong regenerative capacity to compound absorbing CO2 in the combustion flue gas, three binary compound solutions of methyldiethanolamine-piperazine (MDEA-PZ), potassium carbonate-piperazine (K2CO3-PZ) and ammonia-piperazine (NH3-PZ) were selected. Based on the Rate-based model, the decarburization performance process simulations were conducted. The effect of three factors of absorbent, including molar flow rate, temperature and molar concentration ratio (X:PZ), were studied by single-factor method. On this basic, the optimal process conditions were obtained by orthogonal test method. The result showed that, as the molar flow rate of the absorbent increases, the temperature of the absorbent decreases, and the PZ molar concentration in the absorbent increases, the CO2 absorption efficiency increases. Under the optimal process conditions, the optimal absorption temperature of the K2CO3-PZ binary compound solution is 40°C. The optimal absorption temperature of the binary compound solution of MDEA-PZ and NH3-PZ is 30°C. The optimal molar flow rate of the three binary compound solutions is 3.5×105kmol/h, and the optimal molar concentration ratio is 60%:40%. Under each optimal process conditions and other same conditions, the order of CO2 absorption performance is MDEA-PZ>NH3-PZ>K2CO3-PZ. © 2019, Chemical Industry Press. All right reserved.