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How Functional Groups Influence Asphaltene Aggregation: Molecular Simulations and Small-Angle Neutron Scattering

Asphaltenes are polycyclic aromatic molecules found in high-molecular-weight fractions of crude oil. They dissolve in aromatic solvents like toluene but not in aliphatic solvents like heptane. Low solubility leads to aggregate formation and many problems in transport applications. Natural asphaltene...

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Published in:Energy & Fuels
Main Author: Jonathan G. Coldstream
Other Authors: Callum J. Hutchinson, Peter John Dowding, Teri L. Robinson, Stephen P. Marsden, David Harbottle, Philip J. Camp
Format: Article
Language:English
Published: American Chemical Society 2025
Subjects:
Petroleum Processing and Analysis
Asphalt Pavement Performance Evaluation
Phase Equilibria and Thermodynamics
asphaltenes
asphaltene aggregation
sulfur oxidation state
sulfoxides
sulfones
benzothiophene
solvent effects
nanoparticle aggregates
electrostatic interactions
crude oil
molecular dynamics simulation
small-angle neutron scattering
Online Access:https://www.research.ed.ac.uk/en/publications/5b90eaff-09e1-4cc6-aeca-270de20fdb49
https://doi.org/10.1021/acs.energyfuels.5c02091
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https://www.research.ed.ac.uk/en/publications/5b90eaff-09e1-4cc6-aeca-270de20fdb49
https://doi.org/10.1021/acs.energyfuels.5c02091

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