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 …
Effect of non-ionic surfactants on the adsorption of polycyclic aromatic compounds at water/oil interface: A molecular simulation study
Hypothesis Molecular simulations can provide unique insights into the adsorption and
intermolecular interactions of polycyclic aromatic compounds (PACs) and non-ionic …
intermolecular interactions of polycyclic aromatic compounds (PACs) and non-ionic …
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 …
Understanding adsorption of violanthrone-79 as a model asphaltene compound on quartz surface using molecular dynamics simulations
A series of molecular dynamics simulations were performed to investigate the adsorption of
violanthrone-79 (VO-79) as a model asphaltene compound on quartz surface in different …
violanthrone-79 (VO-79) as a model asphaltene compound on quartz surface in different …
Molecular simulations on the coalescence of water-in-oil emulsion droplets with non-ionic surfactant and model asphaltene
Water droplets in crude oil can be stabilized by the adsorption of interfacially active
components, such as asphaltenes. Demulsifiers like non-ionic surfactants are commonly …
components, such as asphaltenes. Demulsifiers like non-ionic surfactants are commonly …
Mechanistic understanding of the effect of temperature and salinity on the water/toluene interfacial tension
In this work, a series of pendant drop measurements and molecular dynamics (MD)
simulations were performed to investigate the effects of temperature and salinity on the …
simulations were performed to investigate the effects of temperature and salinity on the …
Combined experimental and molecular dynamics investigation of 1D rod-like asphaltene aggregation in toluene-hexane mixture
LK Kundarapu, S Choudhury, S Acharya… - Journal of Molecular …, 2021 - Elsevier
The aggregation behavior of asphaltene in the toluene-hexane mixture is systematically
investigated using experimental techniques such as optical microscopy and Fourier …
investigated using experimental techniques such as optical microscopy and Fourier …
Effect of model polycyclic aromatic compounds on the coalescence of water-in-oil emulsion droplets
A series of molecular dynamics simulations were performed to investigate the effect of
polycyclic aromatic compounds (PACs) on the coalescence of two water droplets in oil (ie, n …
polycyclic aromatic compounds (PACs) on the coalescence of two water droplets in oil (ie, n …
The impact of carbonated water on wettability: Combined experimental and molecular simulation approach
Carbonated water injection has gained wide interest as an enhanced oil recovery technique.
The efficiency of oil displacement during an ordinary waterflood is dictated and governed …
The efficiency of oil displacement during an ordinary waterflood is dictated and governed …
Large Stokes-shifted NIR-emission from nanospace-induced aggregation of perylenemonoimide-doped polymer nanoparticles: imaging of folate receptor expression
The development of a water-soluble, perylenemonoimide (PMI) dye-doped polymer
nanoparticle (PNP) with NIR emission for live-cell imaging is demonstrated. The large …
nanoparticle (PNP) with NIR emission for live-cell imaging is demonstrated. The large …