Efficient Separation of Methyl tert-Butyl Ether Using Ionic Liquids from Computational Thermodynamics to Process Intensification

Abstract

Ionic liquids (ILs) have been proposed as promising green solvents for the separation of azeotropes. In this work, the efficient separation of methyl tert-butyl ether (MTBE) from gasoline model oil using ILs was investigated from the molecular level (i.e., extraction mechanism) to process system integration (i.e., process simulation). The quantum chemistry (energy analysis and weak interaction) and molecular dynamics were implemented to explore the separation mechanism. Compared to benchmark organic solvents, 1-butyl-3-methylimidazolium nitrate ([BMIM]-[NO 3 ]) and 1-ethanyl-3-methylimidazole hydrogen sulfate ([EMIM][HSO 4 ]) had the highest extraction rate, and [NO 3 ] − played a major role in the separation process. The extraction performance of MTBE from gasoline model oil using ILs was evaluated. [BMIM][NO 3 ] had the highest extraction effect at 298.15 K. The efficient process of liquid−liquid extraction and extractive distillation with [BMIM][NO 3 ] as an extractant were designed, which confirmed that ILs are promising extractants. This work provides a theoretical guideline to search and develop task-specific ILs for efficient recovery of MTBE.

Phase Equilibrium of p-Xylene and Isobutanol in Ionic Liquid Separations: Thermodynamic and Mechanistic Analysis

“…However, the success of the LLE relies heavily on the selection of an effective extractant. Seeking a “green extractant” with exceptional separation efficiency and excellent thermal stability has been considered as a pivotal aspect to overcome the bottleneck in the development of LLE and facilitate its extensive implementation . Ionic liquids (ILs) have garnered significant attention due to their nonflammability, good thermal stability, and ability to be recycled repeatedly. , Thus, the use of ILs as an environmentally friendly extractant in chemical separation has gained significant attention and has been extensively investigated .…”

Interpretable Feedforward Neural Network and XGBoost-Based Algorithms to Predict CO2 Solubility in Ionic Liquids

“…Recently, ionic liquids (ILs) have attracted considerable interest in various chemical engineering application such as extraction, absorption, , advanced materials, and other fields, owing to their unique properties. These characteristics encompass thermal stability, low volatility, and exceptional gas-dissolving capacities. However, the vast array of available cations and anions in ILs presents a challenge in selecting and designing the most suitable ILs.…”

Design of ionic liquids for HF/HFC-245fa superefficient separation: COSMO-RS selection and process assessment

“…However, excessive use of HCC-240fa can cause catalyst deactivation, resulting in excess AHF (AHF: HCC-240fa ≈ 7~8) being injected into reactor to decrease the concentration of chlorohydrocarbon [6]. The reaction product is mixed with unreacted AHF, making it challenging to separate HFC-245fa and AHF because of the strong hydrogen bonding between AHF and the strong dipolar-dipolar interaction between carbon and fluorine, which enables the formation of HFC-245fa/HF azeotropes [23][24][25][26]. This limits the recycling of HF and results in a lower conversion rate in subsequent reactions.…”