Liu, Chenyi;Ling, Yijie;Wang, Zhennan;Zheng, Weizhong;Sun, Weizhen;Zhao, Ling published 《Unveiling the microenvironments between ionic liquids and methanol for alcoholysis of poly(ethylene terephthalate)》. The research results were published in《Chemical Engineering Science》 in 2022.Synthetic Route of C6H11ClN2 The article conveys some information:
Ionic liquids (ILs) have proved to be efficient catalysts for the alcoholysis of poly(ethylene terephthalate) (PET). However, the in-depth understanding about the alcoholysis of PET at a mol. level remains scarce. Herein, the microstructures and dynamics of ILs/methanol systems with and without PET oligomer were investigated using mol. dynamics (MD) simulations. A better miscibility between [OAc]-containing ILs and methanol is observed There exist hydrogen-bonding networks between cation, anion, and methanol, in which the cation serves as a donor and methanol as an acceptor, while the anion/methanol hydrogen-bonding interaction follows the opposite donor-acceptor relationship. In ILs/methanol/PET ternary systems, the hydroxyl groups of [Cho] cations display a more significant interaction with carbonyl groups of PET oligomer than [Emim] cations. In addition, PET oligomer diffuses quite faster in [Cho][OAc] compared to [Emim][OAc]. The information obtained in this work is helpful to better understand the mechanism of the PET alcoholysis process.1-Ethyl-3-methyl-1H-imidazol-3-ium chloride (cas: 65039-09-0) were involved in the experimental procedure.
1-Ethyl-3-methyl-1H-imidazol-3-ium chloride(cas: 65039-09-0) is an imidazolium chloride ionic liquid that can be used as:a starting material for the preparation of 1-ethyl-3-methylimidazolium chloride/tetrafluoroborate (EMI.Cl.BF4) molten salt for electrochemical studies; a solvent as well as catalyst for the depolymerization of oak wood lignin.Synthetic Route of C6H11ClN2
Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem