Prediction of Surfactants' Properties using Multiscale Molecular Modeling Tools: A Review - IFPEN - IFP Energies nouvelles Access content directly
Journal Articles Oil & Gas Science and Technology - Revue d'IFP Energies nouvelles Year : 2012

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

Benoît Creton
  • Function : Author
  • PersonId : 940486
Carlos Nieto-Draghi
  • Function : Author
  • PersonId : 940487

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.
Fichier principal
Vignette du fichier
ogst110174-Creton.pdf (226.34 Ko) Télécharger le fichier
Origin : Publisher files allowed on an open archive
Loading...

Dates and versions

hal-00815707 , version 1 (19-04-2013)

Identifiers

Cite

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⟩

Collections

IFP OGST
169 View
1734 Download

Altmetric

Share

Gmail Facebook Twitter LinkedIn More