THERMODYNAMIC ANALYSIS AND KINETIC SIMULATING ON SYNTHESIS OF ETHYLENE CARBONATE

Abstract

Abstract: Ethylene carbonate (EC), produced from ethylene oxide (EO) and carbon dioxide (CO₂) via esterification addition reaction, can provide an excellent solvent for vehicle power batteries as a green new energy. The production route is a route in line with "green chemistry". More importantly, it can open up a green route of carbon capture, utilization and storage. In order to study the possibility and degree of the reaction, the thermodynamic analysis of the reaction process was carried out by the basic thermodynamic formula, and the macro-kinetic model of the main reaction was established to guide the design of industrial reactor. The results showed that the main reaction and other side reactions were all strong exothermic reactions except that the side reaction of EC hydrolysis was endothermic reaction, and all side reactions could proceed spontaneously, while the main reaction could not proceed spontaneously when the temperature was higher than 100 ℃. Then a macroscopic kinetic model including main reaction and side reactions was established to guide the design of industrial reactors. In this model, the kinetic parameters of all reactions were obtained by the regression of experimental data and verified by the industrial data. The product concentration at the outlet of the two CSTR in series was predicted by using the established kinetic model, and the EC molar fraction was 98.91%. The error between the calculated value of the kinetic model and the industrial test value was less than 0.12%.

Key words: ethylene carbonate, ethylene oxide, thermodynamic analysis, macroscopic kinetics

References

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