Tuning Anion‐Functionalized Ionic Liquids for Improved SO₂ Capture

Abstract

Ein guter Fang: „Doppeltes Tuning“ wurde verwendet, um verbesserte ionische Flüssigkeiten für den SO2‐Einfang zu erhalten, indem elektronenziehende Substituenten an den Anionen eingeführt wurden (ILs). ILs mit Halogensubstituenten erwiesen sich dabei als leistungsfähiger als nichthalogenierte ILs und ermöglichten einen hoch effizienten und reversiblen SO2‐Einfang.

SO2-Induced Variations in the Viscosity of Ionic Liquids Investigated by in Situ Fourier Transform Infrared Spectroscopy and Simulation Calculations

“…To develop a new process based on ILs for gas separation, taking SO 2 as an example, a number of efforts have been spent in designing the novel functionalized ILs for higher absorption capacity of SO 2 and lower absorption enthalpy, and studying the mechanism between SO 2 and ILs by experimental methods and simulation calculations [4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] . Nevertheless, although the available studies on different aspects of ILs have increased almost exponentially, understanding deeply the physical properties of ILs is still a major point of discussion, which is essential for the design and scale-up of chemical processes in their applications.…”

Molecular Dynamics Investigation of Efficient SO2 Absorption by Anion-Functionalized Ionic Liquids

“…All C-H covalent bonds were constrained using SHAKE algorithm as implemented in LAMMPS. 72 39 as shown in Table S1 (see SI). A satisfactory agreement between experimental and simulated data is observed, with a maximum deviation of 1%.…”

“…In this spirit, the present work is devoted to understand the microscopic interactions and consequent effect on SO 2 capture by six anion-functionalized ILs using MD simulations and quantum chemical calculations. 39,41,42 2.1 Quantum chemical calculations DFT calculations were performed with Gaussian 09 program 66 at M06/aug-cc-pVDZ level of theory. Geometry optimization of isolated IL ion pair, SO 2 molecule, and SO 2 -IL complex (one SO 2 molecule and one IL ion pair each) were carried out.…”

Progress in SO<sub>2</sub> capture by ionic liquids

“…王从敏课题组 [29] 研究表明, 在20℃和0. [29] Figure 2 (Color online) The interaction between [SCN] anion and SO 2 under low partial pressure (H=73.0 kJ mol 1 ) [29] 升高了近0.5 mol.…”

“…王从敏课题组 [29] 研究表明, 在20℃和0. [29] Figure 2 (Color online) The interaction between [SCN] anion and SO 2 under low partial pressure (H=73.0 kJ mol 1 ) [29] 升高了近0.5 mol. 邓友全课题组 [33] 合成了一系列 [34] Figure 3 (Color online) The multiple-site chemical interactions between [Im] anion and SO 2 under low partial pressure (H 1 =124.6 kJ mol 1 , H 2 =75.7 kJ mol 1 ) [34] 用是促进离子液体捕集量增大的重要因素.…”