Asphaltene aggregation due to waterflooding (A molecular dynamics study)

Effect of dispersant on asphaltene suspension dynamics: aggregation and sedimentation.

When oil is mixed with light alkanes, asphaltenes can precipitate out of oil solutions in a multistep process that involves the formation of nano and colloidal scale particles, the aggregation of asphaltene colloids, and their eventual sedimentation. Amphiphilic dispersants can greatly affect this process. The mechanism of the dispersant action in colloidal asphaltene suspensions in heptane has...

Molecular Simulation of Asphaltene Aggregation in Crude Oil by Monte Carlo Method

Putative Binding Sites of Dopamine and Arachidonoyl Dopamine to Beta-lactoglobulin: A Molecular Docking and Molecular Dynamics Study

Because of participation in many aspects of human life, and due to oxidation-sensitive characteristics of dopamine (DA) and arachidonoyl dopamine (AA-DA), the necessity of biocompatible carrier to keep them against oxidation is of importance. In this work, we explored the putative binding sites of DA and AA-DA to -lactoglobulin (BLG) as potent carrier. Docking results identified the binding si...

Discrete Molecular Dynamics Study of Aβ16-22 Folding and Aggregation

Alzheimer’s disease (AD) is the most common cause of late life dementia. Substantial clinical and experimental evidence supports the hypothesis that amyloid β-protein (Aβ) aggregation produces assemblies with potent neurotoxic properties that cause AD. For this reason, it is important to elucidate the structural dynamics of Aβ aggregation at atomic level. We apply the discrete molecular dynamic...

Controlling Nonpolar Colloidal Asphaltene Aggregation by Electrostatic Repulsion

While aromatic chemicals are applied to petroleum oil systems to thermodynamically prevent asphaltene precipitation, amphiphilic dispersants can truncate the precipitation process and create stable suspensions of asphaltene colloids in the submicrometer size range. Bulk sedimentation and dynamic light scattering have shown that stabilizing dispersants inhibit colloidal asphaltene aggregation at...