Study on the association driving force of low temperature coal tar asphaltenes

C Du, D Li, C Shi, Z Du, W Han, Y Zhu, H Dong… - Journal of Molecular …, 2022 - Elsevier
The aggregation of petroleum asphaltenes has been studied for decades by numerous
experimental techniques, however, few studies had been performed on the special …

Multi-scale analysis on the aggregation mechanism of oxygen-rich coal-derived asphaltene molecules

M Xu, Y Zhu, C Du, J Liu, C Wang, Z Na… - Journal of Molecular …, 2023 - Elsevier
Significant differences exist in the structural features between coal-derived asphaltene and
petroleum asphaltene (eg, the degree of alkylation, aromatic nuclei size, heteroatom …

Structure characteristics and association behavior of coal and petroleum C7-asphaltenes

J DU, D ZHANG, M ZHANG, H JIA, NIE Yi… - Journal of Fuel …, 2020 - Elsevier
The structural characteristics and differences of coal tar and petroleum C7-asphaltenes were
studied, such as chemical composition, functional groups and molecular structure, using …

Revealing the intermolecular interactions of asphaltene dimers by quantum chemical calculations

H Wang, H Xu, W Jia, J Liu, S Ren - Energy & Fuels, 2017 - ACS Publications
Understanding the nature of non-covalent interactions (NCIs) between asphaltene
molecules is not only theoretically interesting but also important for practical application. We …

Effect of asphaltene structure on association and aggregation using molecular dynamics

M Sedghi, L Goual, W Welch… - The Journal of Physical …, 2013 - ACS Publications
The aggregation of asphaltenes has been established for decades by numerous
experimental techniques; however, very few studies have been performed on the …

Simulation Investigation on the Influence Mechanism of Toluene and Heptane on the Aggregation of Asphaltene Molecules

P Yu, X Liu, H Zhu, R Dou, S Zeng, N Zhou, Y Lei - Langmuir, 2023 - ACS Publications
Asphaltenes are a group of compounds that are soluble in benzene and toluene but
insoluble in nonpolar small molecule n-alkanes. The asphaltene aggregation in the …

Study on the aggregation of residue-derived asphaltene molecules

D Liu, X Kong, M Li, Z Wang - Energy & fuels, 2010 - ACS Publications
The hydrogen-bonding strength of asphaltenes in Liaohe, Gudao, and Shengli vacuum
residues are studied using an in situ Fourier transform infrared (FTIR) technique. The …

Micromechanism of petroleum asphaltene aggregation

G LU, Y LI, S Hui, Y YU, C WANG - Petroleum Exploration and …, 2008 - Elsevier
The periodic molecular structure model of solvent-asphaltene system is constructed using
molecular mechanical and molecular dynamical methods. The influences of six kinds of …

New Molecular Insights into Aggregation of Pure and Mixed Asphaltenes in the Presence of n-Octylphenol Inhibitor

A Ghamartale, S Zendehboudi, N Rezaei - Energy & Fuels, 2020 - ACS Publications
Asphaltene stability can be perturbed during the oil production and transportation, leading to
asphaltene precipitation and deposition. Chemical inhibitors are usually added to the oil …

Insight into the Structure of Asphaltene after Its Disaggregation by Chemical Processing

S Wei, D Lu, Z Yao, L Zhu, C Yin, D Xia - Petroleum Chemistry, 2024 - Springer
In order to understand the structure of asphaltene after its disaggregating by chemical
processing, a comprehensive study for exploring the structural changes of asphaltene after …