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Deguillard E, Pannacci N, Creton B, et al. Interfacial tension in oil-water-surfactant systems: on the role of intra-molecular forces on interfacial tension values using DPD simulations. J Chem Phys. 2013;138(14):144102doi: 10.1063/1.4799888.
Deguillard, E., Pannacci, N., Creton, B., & Rousseau, B. (2013). Interfacial tension in oil-water-surfactant systems: on the role of intra-molecular forces on interfacial tension values using DPD simulations. The Journal of chemical physics, 138(14), 144102. https://doi.org/10.1063/1.4799888
Deguillard, E, et al. "Interfacial tension in oil-water-surfactant systems: on the role of intra-molecular forces on interfacial tension values using DPD simulations." The Journal of chemical physics vol. 138,14 (2013): 144102. doi: https://doi.org/10.1063/1.4799888
Deguillard E, Pannacci N, Creton B, Rousseau B. Interfacial tension in oil-water-surfactant systems: on the role of intra-molecular forces on interfacial tension values using DPD simulations. J Chem Phys. 2013 Apr 14;138(14):144102. doi: 10.1063/1.4799888. PMID: 24981523.
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J Chem Phys. 2013 Apr 14;138(14):144102. doi: 10.1063/1.4799888.

Interfacial tension in oil-water-surfactant systems: on the role of intra-molecular forces on interfacial tension values using DPD simulations.

The Journal of chemical physics

E Deguillard, N Pannacci, B Creton, B Rousseau

Affiliations

  1. Laboratoire de Chimie Physique, Université Paris-Sud, UMR 8000 CNRS, 91405 Orsay, France.
  2. IFP Energies nouvelles, 1-4 avenue de Bois-Préau, 92852 Rueil-Malmaison, France.

PMID: 24981523 DOI: 10.1063/1.4799888

Abstract

We have computed interfacial tension in oil-water-surfactant model systems using dissipative particle dynamics (DPD) simulations. Oil and water molecules are modelled as single DPD beads, whereas surfactant molecules are composed of head and tail beads linked together by a harmonic potential to form a chain molecule. We have investigated the influence of the harmonic potential parameters, namely, the force constant K and the equilibrium distance r0, on the interfacial tension values. For both parameters, the range investigated has been chosen in agreement with typical values in the literature. Surprisingly, we observe a large effect on interfacial tension values, especially at large surfactant concentration. We demonstrate that, due to a subtle balance between intra-molecular and inter-molecular interactions, the local structure of surfactants at the oil-water interface is modified, the interfacial tension is changed and the interface stability is affected.

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