14,2-三氯乙烷裂解反应体系热力学分析.

In order to explore the effect of temperature on the cracking reaction system of 1, 1, 2-trichloro-ethane, the thermodynamic simulation calculation of the system was carried out. The reactor module RG・ ibbs in Aspen Plus VI1 was adopted and combined with the sensitivity model analysis tool to calculate the equilibrium yield of each product at 150 ~300 °C under three conditions of single component, no polymerization reaction and polymerization reaction. The thermodynamic simulation results show that under standard cond让ions, the main reaction of dehydrochlorination of 1, 1, 2・trichloroethane to produce vinylidene chloride and the side reaction of producing cis-1, 2-dichloroethylene and trans-1, 2-dichloroethylene cannot be spontaneous・ The main and side reactions are endothermic reactions・ When the temperature is 150 °C, the equilibrium conversion of the side reactions to produce trans-1, 2-dichloroethylene and cis-1, 2-dichloroethylene is the lowest and the highest, respectively・ The equilibrium conversion of 1, 1, 2-trichlo-roethane cracking reaction is directly proportional to the temperature・ When the temperature reaches 300 °C, the equilibrium conversion is close to 100%. The thermodynamic properties of related substances were verified by the DMol-3 module of Materials Stu dio. [ABSTRACT FROM AUTHOR]