Thermodynamic Analysis of Formation of Low-carbon Olefins via Coal Gasification Coupling C_1 Reaction

The complex reaction system of the coal gasification coupling C1 reaction was analyzed based on the principles of thermodynamics. The results show that an increase in the temperature is beneficial to the generation of hydrocarbons with high carbon-atom contents, in which the alkane yield is higher than the alkene yield. The complex reaction system consisting of C, H20, CO, CO2, H2, C2H4, C3H6 and C4Hs was studied, and the obtained results indicated that when the maximum mole fraction content of C2-C4 olefins was regarded as the optimized objective function, the optimum temperature was approximately 648 K, the pressure was 0.1 MPa, the feed ratio was approximately 0.6, and the maximum mole fraction content of C2-C4 olefins was approximately 28.24%. The thermodynamic simulation and calculation of the complex reaction system can provide a basis for the determination and optimization of actual process conditions and are therefore of great theoretical and practical significance.

The complex reaction system of the coal gasification coupling C1 reaction was analyzed based on the principles of thermodynamics. The results show that an increase in the temperature is beneficial to the generation of hydrocarbons with high carbon-atom contents, in which the alkane yield is higher than the alkene yield. The complex reaction system consisting of C, H_2O, CO, CO2, H_2, C_2H_4, C_3H_6 and C_4H_8 was studied, and the obtained results indicated that when the maximum mole fraction content of C_2―C4 olefins was regarded as the optimized objective function, the optimum temperature was approximately 648 K, the pressure was 0.1 MPa, the feed ratio was approximately 0.6, and the maximum mole fraction content of C_2―C_4 olefins was approximately 28.24%. The thermodynamic simulation and calculation of the complex reaction system can provide a basis for the determination and optimization of actual process conditions and are therefore of great theoretical and practical significance.