Molecular Dynamics Analysis on Hydrogenation Process of Asphaltene Aggregate for Medium and Low Temperature Coal Tar Xiaokang Han University of Architecture and Technology Wenzhou Yan University of Architecture and Technology Xu Liu Northwest University Dong Li (
[email protected] ) Northwest University https://orcid.org/0000-0002-4578-0595 Yonghong Zhu Northwest University Research Article Keywords: Meddle-low temperature coal tar, Asphaltene aggregate, Hydrogenation, Molecular dynamics, Materials Studio Posted Date: March 22nd, 2021 DOI: https://doi.org/10.21203/rs.3.rs-304675/v1 License: This work is licensed under a Creative Commons Attribution 4.0 International License. Read Full License 1 Molecular dynamics analysis on hydrogenation process of asphaltene aggregate for 2 medium and low temperature coal tar 3 Xiaokang Han1,2, Wenzhou Yan1, Xu Liu3,4, Dong Li*3,4, Yonghong Zhu3,4 4 5 1School of Management, Xi’an University of Architecture and Technology, Xi’an 710055, People’s 6 Republic of China 7 2Project Control Department, Hualu Engineering & Technology Co., Ltd., Xi’an 710065, People’s 8 Republic of China 9 3School of Chemical Engineering, Northwest University, Xi’an 710069, People’s Republic of China 10 4The Research Center of Chemical Engineering Applying Technology for Resource of Shaanxi, Xi’an 11 710069, People’s Republic of China 12 13 Corresponding author: Dong Li 14 ORCID: 0000-0002-4578-0595 15 Telephones: +86-029-88373425 16 Fax: +86-029-88305825 17 Email:
[email protected] 18 19 Abstract 20 In this paper, the average molecular structure models of middle-low temperature coal tar (MLCT) 21 asphaltene before and after hydrogenation were obtained by 1H-NMR characterization.