title: Monte Carlo simulation of binary surfactant/contaminant/water systems.
abstract: Surfactant-enhanced remediation (SER) is an effective approach for the removal of absorbed hydrophobic organic compounds (HOCs) from contaminated soils. The solubilization of contaminants by mixed surfactants with attractive and repulsive head-head interactions was studied by measuring the micelle-water partition coefficient (K(C)) and molar solubilization ratio (MSR) using the lattice Monte Carlo method. The effect of surfactant mixing on the MSR and K(C) of contaminants displayed the following trend: C₄ > C₃ > C₂. Synergistic binary surfactant mixtures showed greater solubilization capacities for contaminants than the corresponding individual surfactants. Mixed micellization parameters, including the interaction parameter β, and activity coefficient f(i), were evaluated with Rubingh's approach. Synergistic mixed-surfactant systems can improve the performance of surfactant-enhanced remediation of soils and groundwater by decreasing the amount of applied surfactant and the cost of remediation.
authors.affiliation: Department of Physical Chemistry, Tarbiat Modarres University, P.O. Box: 14115-175, Tehran, Iran.
authors.forename: Zahra
authors.initials: Z
authors.lastname: Khodadadi
authors.forename: S Morteza
authors.initials: SM
authors.lastname: Mousavi-Khoshdel
authors.forename: Hussein
authors.initials: H
authors.lastname: Gharibi
authors.forename: Seyed Majid
authors.initials: SM
authors.lastname: Hashemianzadeh
authors.forename: Sohaila
authors.initials: S
authors.lastname: Javadian
mesh_terms: D003198:Computer Simulation; D057927:Hydrophobic and Hydrophilic Interactions; D008823:Micelles; D009010:Monte Carlo Method; D009930:Organic Chemicals / Q000737:chemistry*; D012995:Solubility; D012996:Solutions / Q000737:chemistry; D013501:Surface-Active Agents / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
chemical_list: D008823:Micelles; D009930:Organic Chemicals; D012996:Solutions; D013501:Surface-Active Agents; D014867:Water