Reduction of water/oil interfacial tension by model asphaltenes: the governing role of surface concentration
In this work, pendant drop techniques and molecular dynamics (MD) simulations were
employed to investigate the effect of asphaltene concentrations on the interfacial tension …
employed to investigate the effect of asphaltene concentrations on the interfacial tension …
Alternation of asphaltene binding arrangement in the presence of chemical inhibitors: Molecular dynamics simulation strategy
Asphaltene deposition is one of the challenging issues in petroleum production and
transportation. Chemical inhibitors are commonly employed to mitigate the asphaltene …
transportation. Chemical inhibitors are commonly employed to mitigate the asphaltene …
Kinetic analysis as a tool to distinguish pathway complexity in molecular assembly: an unexpected outcome of structures in competition
D van der Zwaag, PA Pieters, PA Korevaar… - Journal of the …, 2015 - ACS Publications
While the sensitive dependence of the functional characteristics of self-assembled
nanofibers on the molecular structure of their building blocks is well-known, the crucial …
nanofibers on the molecular structure of their building blocks is well-known, the crucial …
Effect of the heteroatom presence in different positions of the model asphaltene structure on the self-aggregation: MD and DFT study
A Ekramipooya, FM Valadi, A Farisabadi… - Journal of Molecular …, 2021 - Elsevier
In this study, a series of heteroatoms including nitrogen, oxygen, and sulfur were added to
different positions of the model asphaltene structure to study the effect of the heteroatom …
different positions of the model asphaltene structure to study the effect of the heteroatom …
Adsorption of a polyaromatic compound on silica surfaces from organic solvents studied by molecular dynamics simulation and AFM imaging
Molecular dynamics simulation was used to investigate the adsorption of a polyaromatic
compound (C5Pe) on silica surfaces from organic solvents. Heptane and toluene were used …
compound (C5Pe) on silica surfaces from organic solvents. Heptane and toluene were used …
Molecular interactions between asphaltene and surfactants in a hydrocarbon solvent: application to asphaltene dispersion
Heavy oil and bitumen supply the vast majority of energy resources in Canada. Different
methods can be implemented to produce oil from such unconventional resources …
methods can be implemented to produce oil from such unconventional resources …
Molecular polydispersity improves prediction of asphaltene aggregation
Asphaltene flocculation and deposition from petroleum fluids may cause severe formation
damage and flow assurance challenges. Flocculation occurs when asphaltene aggregates …
damage and flow assurance challenges. Flocculation occurs when asphaltene aggregates …
Mesoscale simulation of asphaltene aggregation
J Wang, AL Ferguson - The Journal of Physical Chemistry B, 2016 - ACS Publications
Asphaltenes constitute a heavy aromatic crude oil fraction with a propensity to aggregate
and precipitate out of solution during petroleum processing. Aggregation is thought to …
and precipitate out of solution during petroleum processing. Aggregation is thought to …
Control of asphaltene deposition by chemical inhibitors in calcite pore: molecular dynamics approach
A Ghamartale, S Zendehboudi… - Industrial & …, 2022 - ACS Publications
Asphaltene deposition is a major problem during oil production and transportation that
imposes extra treatment costs and reduces oil production. Historically, various chemical …
imposes extra treatment costs and reduces oil production. Historically, various chemical …
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 …
insoluble in nonpolar small molecule n-alkanes. The asphaltene aggregation in the …