Skip to Main content Skip to Navigation
New interface
Journal articles

Prediction of Surfactants' Properties using Multiscale Molecular Modeling Tools: A Review

Abstract : During one of the existing Enhanced Oil Recovery (EOR) procedures, a mixture of Alkaline/Surfactant/Polymer (ASP) is injected into wells in order to move the trapped oil from the reservoir to the wellbores. The conception and/or the tuning of new ASP combinations, structures of surfactants and/or mixtures of surfactants is of primary interest to improve the efficiency of a such procedure. Molecular modeling tools can be used to understand microscopic effects, predict surfactants' properties and finally to optimize structures and mixtures of surfactants. We propose in this article a review of the literature on the ability of molecular simulation techniques such as Molecular Dynamics (MD),Monte Carlo (MC) simulations, Dissipative Particle Dynamics (DPD) and upper scale modeling methods such as Quantitative Structure-Property Relationship (QSPR) approaches to predict thermo-physical and structural properties of surfactants.
Complete list of metadata

Cited literature [43 references]  Display  Hide  Download
Contributor : Catherine Luttringer Connect in order to contact the contributor
Submitted on : Friday, April 19, 2013 - 11:26:08 AM
Last modification on : Monday, April 25, 2022 - 2:50:52 PM
Long-term archiving on: : Saturday, July 20, 2013 - 4:01:57 AM


Publisher files allowed on an open archive





Benoît Creton, Carlos Nieto-Draghi, Nicolas Pannacci. Prediction of Surfactants' Properties using Multiscale Molecular Modeling Tools: A Review. Oil & Gas Science and Technology - Revue d'IFP Energies nouvelles, 2012, 67 (6), pp.969-982. ⟨10.2516/ogst/2012040⟩. ⟨hal-00815707⟩



Record views


Files downloads