Zhao, Zhijun et al. published their research in Energy & Fuels in 2022 | CAS: 5137-55-3

Molecular Simulation and Experimental Study on Low-Viscosity Ionic Liquids for High-Efficient Capturing of CO₂ was written by Zhao, Zhijun;Gao, Jubao;Luo, Mingsheng;Liu, Xinyue;Zhao, Yongsheng;Fei, Weiyang. And the article was included in Energy & Fuels in 2022.COA of Formula: C25H54ClN The following contents are mentioned in the article:

In recent decades, ionic liquids (ILs) have been developed as an ideal and reversible decarbonization solvent. However, some pitfalls, such as the low CO₂ capacity and high viscosity of ILs, limit their further scale up and industrial application. Therefore, in this work, three novel functional ILs [N₈₈₈₁][NIA], [N₈₈₈₁][For], and [N₈₈₈₁][Ac] were synthesized after using a mol. design method to capture CO₂ at 303.15-333.15 K and pressures up to 1000 kPa. The exptl. results illustrate that [N₈₈₈₁][NIA] presents the smallest viscosity and the highest CO₂ solubility The capacity order is [N₈₈₈₁][NIA] > [N₈₈₈₁][For] > [N₈₈₈₁][Ac] under the same exptl. conditions. The CO₂ recyclability experiments using [N₈₈₈₁][NIA] show the stability of CO₂ solubility after 5 cycles. The quantum chem. simulations at the level of DFT/B3LYP with 6-311++G(d,p) basis sets were used to study the CO₂ absorption mechanism in the studied ILs from the mol. viewpoint. Simulation results illustrated that the higher interaction energy between CO₂ and ILs means more CO₂ absorbed in these ILs, which agreed well with the exptl. results. The atoms in mols. theory and the function of the reduced d. gradient were also used to calculate the interactions in these IL-CO₂ systems. Results show that the majority of these interactions present an electrostatic character. This study involved multiple reactions and reactants, such as N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3COA of Formula: C25H54ClN).

N-Methyl-N,N-dioctyloctan-1-aminium chloride (cas: 5137-55-3) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.COA of Formula: C25H54ClN

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics