Molecular dynamics simulations of surfactants at the silica–water interface: Anionic vs nonionic headgroups

Phenomenology and control of buckling dynamics in multicomponent colloidal droplets

“…The adsorption of the anionic SDS (CH 3 (CH 2 ) 11 OSO þ 3 Na þ ) is not significant on the surface of the negatively charged silica substrate. 22 The zeta potential of aqueous TM is about À43.7 mV and with an addition of SDS, the surface potential is approximately À50 mV. The similar potential values and the low polydispersity (15%-19%) in size confirm that the anionic SDS do not adsorb on the negatively charged silica surfaces and a uniform initial dispersion is obtained.…”

“…The initial colloidal aqueous dispersion of silica (LUDOX V R TM 40, pH $ 9, average diameter $22 nm, 40% in weight, Sigma Aldrich, India) was diluted to 2% in weight in distilled water and the dynamics of the levitated droplet under natural drying condition was recorded as the base case. SDS [22][23][24][25][26][27][28][29] (BioReagent, !98.5% (GC), Sigma Aldrich, India) dispersion was prepared in distilled water and added to 2% weight aqueous TM dispersion. The mixed colloidal dispersion was sonicated for 30 min using ultrasonicator.…”

Extraction of kerogen from oil shale with supercritical carbon dioxide: Molecular dynamics simulations

“…It has been reported that the apolar oil molecules could not permeate through the water layer [48] leading to a hydrophilic rock surface, while the polar oil molecules could permeate through the water layer and be adsorbed to the rock surface, resulting in an oleophilic rock surface [41]. These results indicated that the interaction between polar oil molecules and the rock surface was higher than that between water molecules and the rock surface.…”

“…Silica is the major mineral constituent in most shale formations. Therefore, the silica surface was investigated as oil shale surface in this work [40][41][42]. The initial silica lattice was derived from the database of the Material Studio software.…”

How the Inhibition Performance Is Affected by Inhibitor Concentration: A Perspective from Microscopic Adsorption Behavior

“…For example, Tummala et al 33 studied the adsorption behavior of surfactants on a silica surface and observed the aggregate morphologies of the surfactants. Tosaka et al 34 carried out molecular dynamics simulations to investigate the adsorption mechanism of a protein on a silica surface at various pH values.…”