液相法合成三聚氰酸体系热力学分析OA北大核心CSTPCD

The liquid-phase synthesis of cyanuric acid using glycol as a circulating agent is a series reaction system consisting of alcoholysis,elimination and cycloaddition reactions.The thermophysical properties of components,enthalpy changes,Gibbs free energy changes and equilibrium constant of this reaction system were carried out by group contribution method.Then feasibility and difficulty of the reactions were analyzed on the basis of thermodynamic calculation combined with available experimental data.The results show that alcoholysis and elimination are both endothermic process and the equilibrium constants of the two reactions are small,which can be promoted forward by improving temperature.Cycloaddition reaction is exothermic and can be fully proceeded.The consecutive reaction can proceed under the appropriate conditions.The outcome from thermodynamic calculation and analysis can provide theoretical guidance for the development of the industrial scale-up process of the reaction.