摘要
以3种烷基咪唑类酸性离子液体与硫酸组成的复合催化剂取代纯硫酸作为三聚甲醛合成的催化剂。结果表明,在相同反应条件下,硫酸/1-乙基-3-甲基咪唑硫酸氢盐([EMIM][HSO_(4)])作为催化剂时,产物三聚甲醛的平衡浓度可以提高17%。分子动力学模拟研究表明,[EMIM][HSO_(4)]可以改变反应体系粒子间微观结构。加入[EMIM][HSO_(4)]后,会改变体系的扩散行为,减弱水合氢离子与硫酸氢根离子之间的相互作用,增大硫酸氢根离子与水分子之间的相互作用。从理论上解释了硫酸/[EMIM][HSO_(4)]改善三聚甲醛合成反应的原因。
A composite catalyst consisting of three alkylimidazole-based acidic ionic liquids and sulfuric acid were used to replace pure sulfuric acid as the catalyst for the synthesis of trioxane.The results showed that under the same reaction conditions,when sulfuric acid/1-ethyl-3-methylimidazole hydrogen sulfate([EMIM][HSO_(4)])as catalyst,the equilibrium concentration of the product trioxane could be increased by 17%.Molecular dynamics simulation studies show that[EMIM][HSO_(4)]can change the inter-particle microstructure of the reaction system.The addition of[EMIM][HSO_(4)]changes the diffusion behavior of the system,weakening the interaction force between HSO_(4)^(-) and H_(3)O^(+),and increasing the interaction force between HSO_(4)^(-) and H_(2)O,which theoretically explained the improvement of the synthesis reaction of trioxane by H_(2)SO_(4)/[EMIM][HSO_(4)].
作者
谢辉
张涛
吕莉
唐盛伟
XIE Hui;ZHANG Tao;LÜ Li;TANG Sheng-wei(Sichuan Base of International Science and Technology Cooperation for Green Chemical Industry,School of Chemical Engineering,Sichuan University,Chengdu 610065,China)
出处
《应用化工》
CAS
CSCD
北大核心
2022年第2期416-421,共6页
Applied Chemical Industry
基金
四川省科技计划项目(2020YFH0033)
川大-自贡科技合作项目(2019CDZG-8)。
