DPD simulation of surface wettability alteration by added water-soluble surfactant in the presence of indigenous oil-soluble surfactant

Nazgul Sabirgalieva, Roar Skartlien, Luis Rojas-Solórzano

Research output: Chapter in Book/Report/Conference proceedingChapter

1 Citation (Scopus)

Abstract

The effect of a surfactant on wettability alteration and emulsion inversion is studied using Dissipative Particle Dynamics (DPD) modeling. The DPD model contains 1200 oil molecules, 4800 water molecules, 400 oil soluble (indigenous to the oil) surfactants with a head-tail configuration and 400 water soluble molecules to mimic a surface active chemical/ion in the water. Results show that surfactant migrates to the fluid-fluid interface in general, where its potential energy is minimal. However, thermal kinetic energy can lead to a "tunneling" through the interface and into the other phase with a small probability. The same effect lead to migration of the oil soluble surfactant from the oil phase onto the water wet surface, and caused wetting alternation from a water-wet to a surfactant coated effectively oil-wetting surface. The water soluble surface active molecule suppressed this effect when added. Additional emulsion inversion studies confirmed the "Bancroft rule": oil-in-water emulsions were induced by water soluble surfactant, and water-in-oil emulsions were induced for oil soluble surfactant. The explored cases were characterized by high interfacial curvature. For cases in which the surfactant is just as soluble in water as in oil, the interface had a minimal curvature; i.e., a flat interface or a more geometrically complex gyroid interface with a minimal average curvature. Results demonstrate that DPD represents a suitable numerical laboratory to investigate the macroscopic behavior (topology and morphology) of an oil/water/surface system as function of the molecular parameters such as solubility.

Original languageEnglish
Title of host publicationChemical Engineering Transactions
PublisherItalian Association of Chemical Engineering - AIDIC
Pages1489-1494
Number of pages6
Volume57
ISBN (Electronic)9788895608488
DOIs
Publication statusPublished - 2017

Publication series

NameChemical Engineering Transactions
Volume57
ISSN (Electronic)2283-9216

Fingerprint

Surface-Active Agents
Wetting
Oils
Surface active agents
Water
Computer simulation
Emulsions
Molecules
Fluids
Potential energy
Kinetic energy
Dynamic models
Solubility
Topology
Ions

ASJC Scopus subject areas

  • Chemical Engineering(all)

Cite this

Sabirgalieva, N., Skartlien, R., & Rojas-Solórzano, L. (2017). DPD simulation of surface wettability alteration by added water-soluble surfactant in the presence of indigenous oil-soluble surfactant. In Chemical Engineering Transactions (Vol. 57, pp. 1489-1494). (Chemical Engineering Transactions; Vol. 57). Italian Association of Chemical Engineering - AIDIC. https://doi.org/10.3303/CET1757249

DPD simulation of surface wettability alteration by added water-soluble surfactant in the presence of indigenous oil-soluble surfactant. / Sabirgalieva, Nazgul; Skartlien, Roar; Rojas-Solórzano, Luis.

Chemical Engineering Transactions. Vol. 57 Italian Association of Chemical Engineering - AIDIC, 2017. p. 1489-1494 (Chemical Engineering Transactions; Vol. 57).

Research output: Chapter in Book/Report/Conference proceedingChapter

Sabirgalieva, N, Skartlien, R & Rojas-Solórzano, L 2017, DPD simulation of surface wettability alteration by added water-soluble surfactant in the presence of indigenous oil-soluble surfactant. in Chemical Engineering Transactions. vol. 57, Chemical Engineering Transactions, vol. 57, Italian Association of Chemical Engineering - AIDIC, pp. 1489-1494. https://doi.org/10.3303/CET1757249
Sabirgalieva N, Skartlien R, Rojas-Solórzano L. DPD simulation of surface wettability alteration by added water-soluble surfactant in the presence of indigenous oil-soluble surfactant. In Chemical Engineering Transactions. Vol. 57. Italian Association of Chemical Engineering - AIDIC. 2017. p. 1489-1494. (Chemical Engineering Transactions). https://doi.org/10.3303/CET1757249
Sabirgalieva, Nazgul ; Skartlien, Roar ; Rojas-Solórzano, Luis. / DPD simulation of surface wettability alteration by added water-soluble surfactant in the presence of indigenous oil-soluble surfactant. Chemical Engineering Transactions. Vol. 57 Italian Association of Chemical Engineering - AIDIC, 2017. pp. 1489-1494 (Chemical Engineering Transactions).
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