Multiscale computational simulation of pollutant behavior at water interfaces

Q Xue, Z Jiao, W Pan, X Liu, J Fu, A Zhang - Water Research, 2024 - Elsevier
The investigation of pollutant behavior at water interfaces is critical to understand pollution in
aquatic systems. Computational methods allow us to overcome the limitations of …

Three-dimensional network gel structure and viscosity reduction mechanism of heavy oil

X Tang, W Duan, K Xu, C Zheng - Colloids and Surfaces A …, 2022 - Elsevier
The internal structure of heavy oil plays an important role in the research of the viscosity
reduction mechanism of heavy oil. On the one hand, the influence of heavy oil composition …

Molecular understanding on migration and recovery of shale gas/oil mixture through a pore throat

XY Hong, HY Xu, H Yu, X Jin, H Liu, FC Wang… - Energy & …, 2022 - ACS Publications
Shale gas/oil remaining in blind pores accounts for a large proportion in total reserves,
which is urgent to be further exploited. Understanding the microscopic mechanism of gas/oil …

[HTML][HTML] A coupled DEM-CFD analysis of asphaltene particles agglomeration in turbulent pipe flow

SF Hosseini, M Mozaffarian, B Dabir… - Chemical Engineering …, 2024 - Elsevier
We performed numerical investigations of the agglomeration behaviour of asphaltene
particles in a turbulent pipe flow by using a commercial discrete element modelling (DEM) …

Molecular insights into the dispersibility of asphaltene and crude oil rheological properties under the effect of multi-alkylated aromatic amides

B Zhu, Z Li, T Han, Y Yan, J Li, J Zhang - Chemical Engineering Science, 2024 - Elsevier
In crude oil development, it is important to improve the dispersibility of asphaltene (ASP),
and to achieve viscosity reduction. Adding dispersants is a promising solution to postpone …

Topological isomerism governs asphaltene aggregation: A mechanistic study combining molecular dynamics and experiments

C Wang, P Liu, J Zhao, J Hu, J Du, X Chen, X Song… - Fuel, 2025 - Elsevier
The aggregation and deposition of asphaltene pose significant challenges to efficient oil
production. However, the application of molecular dynamics (MD) simulations for …

Topological isomerism design of Demulsifiers: A fusion of molecular dynamics simulation and experiment

C Wang, P Liu, J Zhao, J Du, X Chen, X Wu… - Journal of Molecular …, 2024 - Elsevier
Demulsifiers are crucial for enhancing crude oil extraction and transportation efficiency by
facilitating the separation of oil–water emulsions. However, research conducted on the …

Mesoscopic Simulation of Aggregate Characteristics of Asphaltene Molecules Under Shear Fields

J Wu, J Li - ACS omega, 2024 - ACS Publications
Behaviors of asphaltene molecules in toluene under a shear force field were investigated by
dissipative particle dynamics (DPD). The results showed that asphaltene molecules …

A review of nanoparticles and their composites as pour point depressant for waxy crude oil

Z Sun, B Yan, G Jing, F Zhang, H Li… - Journal of Dispersion …, 2024 - Taylor & Francis
Adding pour point depressant is an important method to solve the poor low temperature
rheology of waxy crude oil. Although the traditional polymer pour point depressant has good …

Advances in molecular mechanisms, characterization, theoretical calculation and applications on asphaltenes aggregation

H ZHOU, Y TIAN, S LIU, J ZOU, R ZHANG, C HE… - CIESC …, 2023 - hgxb.cip.com.cn
The phenomenon of asphaltene association and aggregation in petroleum has an important
impact on the exploitation, upgrading, storage and transportation of petroleum (especially …