Simulation Research On Reactive Extraction Using GPROMS

As an intensified chemical processes technology,reactive extraction has the advantages of simple process,mild conditions,high economical efficiency and practical value,and has a very good application prospect in the fields of reaction and separation.However,due to the complexity of reactive extraction system and process,there is currently very little simulation research on reactive extraction.In this work,the simulation and calculation method of reactive extraction process based on gPROMS is established,and the simulation research on the synthesis of isobutyl isobutyrate intensified by ionic liquid through reaction extraction is carried out.On the basis of phase equilibrium and reaction equilibrium,a process model of reactive extraction based on gPROMS is established,and rate-based dynamic method is used for model calculation.Combining the advantages of flexible modeling of gPROMS and physical property calculation of Aspen Plus,a combined platform of gPROMS-Aspen Plus is established and tested through related calculations.Taking the esterification of hexyl acetate as an example,the reliability of reaction extraction model is verified,and the process parameters for the synthesis of hexyl acetate are optimized.The synthesis process of isobutyl isobutyrate intensified by ionic liquid through reaction extraction is proposed.The NRTL parameters and kinetic model parameters are fitted through the liquid-liquid phase equilibrium experiments and kinetic experiments,respectively.Using the calculation platform of reaction extraction,the synthesis process of isobutyl isobutyrate is simulated,and the temperature,molar ratio of acid to alcohol,and dosage of ionic liquid are investigated.Under the optimal conditions,the equilibrium conversion of esterification reaction reaches 91.09%,and the mass purity of isobutyl isobutyrate is 99.11%,which meets the requirement of industrial product.