Staff Publications

Staff Publications

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    'Staff publications' is the digital repository of Wageningen University & Research

    'Staff publications' contains references to publications authored by Wageningen University staff from 1976 onward.

    Publications authored by the staff of the Research Institutes are available from 1995 onwards.

    Full text documents are added when available. The database is updated daily and currently holds about 240,000 items, of which 72,000 in open access.

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Record number 539042
Title Effective interaction potentials for model amphiphilic surfactants adsorbed at fluid-fluid interfaces
Author(s) Moghimikheirabadi, Ahmad; Sagis, L.M.C.; Ilg, Patrick
Source Physical Chemistry Chemical Physics 20 (2018)23. - ISSN 1463-9076 - p. 16238 - 16246.
Department(s) VLAG
Physics and Physical Chemistry of Foods
Publication type Refereed Article in a scientific journal
Publication year 2018
Abstract Computer simulations are a useful tool to explore the effects of interactions and structure of surfactants on interfacial microstructure and properties. Starting with “molecular-level”, three-dimensional reference systems of short amphiphilic surfactants at fluid–fluid interfaces, we here derive effective interaction potentials for the corresponding two-dimensional systems of structureless particles confined to the interface plane. These reference systems are comprised of two immiscible mono atomic fluids (water- and oil-like particles) and nonionic linear amphiphilic surfactants. Our results show that coarse grained interaction potentials are only weakly dependent on surface concentration but their behavior is strongly dependent on surfactant interactions. The coarse grained system preserves the in-plane surfactant center-of-mass pair correlation function at the interface and the results of surface pressure-area isotherms are in a good agreement. This approach can be extended straightforwardly to other types of surfactants at both fluid–fluid and fluid–gas interfaces providing us with an effective pairwise interaction potential for the surfactant monolayer. These effective interactions can be used to explore large-scale self-assembly within the monolayer especially at low surface concentrations where reference simulations are extremely time-consuming.
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