Transesterification of Methyl Acetate with Isobutanol in a Reactive and Extractive Distillation Column with Ionic Liquid as Catalyst and Molecular Liquid as Entrainer

Abstract

The reaction kinetics of transesterification of methyl acetate with isobutanol catalyzed by ionic liquid 1-sulfobutyl-3-methylimidazolium hydrogensulfate was measured. The reaction kinetic data were correlated by the ideal homogeneous model and nonideal homogeneous model, and the corresponding kinetic parameters were obtained. A reactive and extractive distillation (RED) process was proposed to conduct the transesterification, and the process was simulated based on the analysis of vapor− liquid equilibrium and reactive residue curve maps. High purities of products and high conversions of reactants can be achieved by the RED process. Effects of operating and structural parameters of the RED column and entrainer recovery column were investigated. Moreover, a lab-scale RED experiment was conducted to verify the reliability of the simulation process, and the simulation results agreed well with the experiment.

Rigorous design and control of thermally integrated pressure‐swing reactive distillation process for isobutyl acetate production considering the effect of column pressures

“…The NRTL activity coefficient model is used to describe the phase equilibrium of the four‐component system. [ 37 ] The NRTL binary interaction parameters (b ij ) and nonrandomness parameters (c ij ) of the system shown in Table 1 are take from Jie et al [ 38 ] Moreover, Table 2 demonstrates that the azeotropic data are similar between the model prediction and experimental data, which affirms the reliability of the NRTL model. Figure 1 illustrates the residue curve map with the NRTL model employed.…”

Study on the Intensification of Reaction Kinetics and Reactive Distillation for the Esterification of N-Butyl Acetate Using [HSO3-BMIM][HSO4] as a High-Efficiency Ionic Liquid Catalyst

“…The binary interaction parameters of [HSO 3 -BMIM]­[HSO 4 ] were not included in the database of Aspen Plus; thus, they could be estimated by the COSMO (conductor-like screening model) segment activity coefficient (COSMO-SAC) model or the COSMO for realistic solvent (COSMO-RS) model. , However, the exact binary interaction parameters of [HSO 3 -BMIM]­[HSO 4 ] may need to be determined through thermodynamic research, which will help make the simulation of this research more feasible. Cui et al , studied the effect of [HSO 3 -BMIM]­[HSO 4 ] as an entrainer in the transesterification RD process; the binary interaction parameters of such ILs were estimated by COSMO-SAC, and their results showed that [HSO 3 -BMIM]­[HSO 4 ] enhances the relative volatility of esters to alcohols. However, the effect of [HSO 3 -BMIM]­[HSO 4 ] on the phase equilibrium among esters, alcohols, and water in the esterification system was still short of data, which needs to be discussed in further thermodynamic research.…”

“…[HSO 3 -BMIM]­[HSO 4 ] is one of the sulfuric acid ILs, where the multiple H + in the sulfuric acid group further strengthen the acidity of [HSO 3 -BMIM]­[HSO 4 ]. [HSO 3 -BMIM]­[HSO 4 ] has been reported to catalyze transterification . [HSO 3 -BMIM]­[HSO 4 ] has great potential for application in other acid catalyzing reactions, which prompts detailed investigations of the effect of [HSO 3 -BMIM]­[HSO 4 ] in the esterification process in this study.…”

“…Deeper understandings of the reaction mechanism in the IL-catalyzing reaction are essential for a better and ideal reaction engineering process. Hence, the modifications of these kinetic models have been reported in some specific reactions to improve their accuracy. ,, Owing to the catalytic activity of ILs caused by the acidity, the modification of kinetic models could be divided into the self-catalysis effect of the reactants and the catalytic effects of ILs. This assumption could be applied to the modified models, which prompted us to improve the kinetic models in this study.…”

Solubilities of Diethyl Phthalate, Dicyclopentadiene, and Styrene in Ionic Liquid 1-Ethyl-3-methylimidazolium Acetate

“…Ionic liquids (ILs) are liquid molten salts at or close to room temperature that are composed of organic cations and organic or inorganic anions. , In the past decades, ionic liquids have received increasing attention, due to their unique chemical and physical properties, such as nonvolatility, high thermal and chemical stability, high thermal conductivity and heat capacity, wide electrochemical window, flame resistance, and corrosion resistance to plastics and carbon steels. Importantly, their properties can be tuned by changing the combination of cations and anions. − Ionic liquids have been widely used in numerous chemical and industrial processes, especially in chemical reactions and separation processes. − Ionic liquids are also great potential candidates of heat transfer media because of its good thermal properties. In recent years, several authors have studied the possibility of using ionic liquids for heat transfer and related purposes, ,− and ionic liquids have been used as heat transfer media in refrigeration systems, and solar energy collection and storage. − …”