Search

Your search keyword '"Liu, Jixing"' showing total 526 results
Start Over Author "Liu, Jixing"
526 results on '"Liu, Jixing"'

34. Extraction mechanism of phenolic compounds by a choline chloride/glycerol solvent: DFT and molecular dynamics studies.

Author

Yi, Lan, Wang, Jinwen, Liu, Jixing, Luo, Hao, Wu, Xiaoqin, and Li, Wen-Ying

Abstract

The mechanism of a solvent consisting of choline chloride and glycerol (ChCl/GLY) for extracting phenolic compounds from coal tar was theoretically studied using density functional theory calculations and molecular dynamics simulations. The thermodynamic properties, interaction essence, and molecular dynamics properties of the extraction system were investigated, as well as the influence of ChCl/GLY on the vibration spectra of phenolic compounds. The results show that the solvation free energy of phenolic compounds in ChCl/GLY is more negative than that in coal tar, leading to the spontaneous transfer of phenolic compounds from coal tar to ChCl/GLY. The electrostatic and dispersion interactions between phenolic compounds and ChCl/GLY have similar significance in the extraction process, with interaction energies ranging from −46 to −53 kJ mol−1. The mixing of phenolic compounds with ChCl/GLY has minimal impact on their internal molecular structure, however, it does reduce the diffusion coefficients of each component in ChCl/GLY and shortens the lifetime of hydrogen bonds in both phenolic compounds and ChCl/GLY. The first shell of each phenolic compound is surrounded by 1.15 chloride ions. Following dissolving in ChCl/GLY, the stretching vibration peaks of phenolic compounds, namely the –OH and C–H/–CH3 regions, undergo a shift. The results enhance comprehension of the extraction process of phenolic compounds by DES. [ABSTRACT FROM AUTHOR]

Published
2024
Full Text
View/download PDF

35. Design of High Sensitivity Foreign Object Detection System in Wireless Charging Based on the Variation of Detection Coils Impedance

Author

Sun, Ying, Liu, Jixing, Liang, Ce, Wei, Guo, Zhu, Chunbo, Song, Kai, Angrisani, Leopoldo, Series Editor, Arteaga, Marco, Series Editor, Panigrahi, Bijaya Ketan, Series Editor, Chakraborty, Samarjit, Series Editor, Chen, Jiming, Series Editor, Chen, Shanben, Series Editor, Chen, Tan Kay, Series Editor, Dillmann, Rüdiger, Series Editor, Duan, Haibin, Series Editor, Ferrari, Gianluigi, Series Editor, Ferre, Manuel, Series Editor, Hirche, Sandra, Series Editor, Jabbari, Faryar, Series Editor, Jia, Limin, Series Editor, Kacprzyk, Janusz, Series Editor, Khamis, Alaa, Series Editor, Kroeger, Torsten, Series Editor, Liang, Qilian, Series Editor, Martín, Ferran, Series Editor, Ming, Tan Cher, Series Editor, Minker, Wolfgang, Series Editor, Misra, Pradeep, Series Editor, Möller, Sebastian, Series Editor, Mukhopadhyay, Subhas, Series Editor, Ning, Cun-Zheng, Series Editor, Nishida, Toyoaki, Series Editor, Pascucci, Federica, Series Editor, Qin, Yong, Series Editor, Seng, Gan Woon, Series Editor, Speidel, Joachim, Series Editor, Veiga, Germano, Series Editor, Wu, Haitao, Series Editor, Zhang, Junjie James, Series Editor, Chen, Weijiang, editor, Yang, Qingxin, editor, Wang, Laili, editor, Liu, Dingxin, editor, Han, Xiaogang, editor, and Meng, Guodong, editor

Published
2021
Full Text
View/download PDF

Catalog

Books, media, physical & digital resources
See catalog results