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  • Title: Monte Carlo simulation of binary surfactant/contaminant/water systems.
    Author: Khodadadi Z, Mousavi-Khoshdel SM, Gharibi H, Hashemianzadeh SM, Javadian S.
    Journal: J Mol Graph Model; 2012 Jun; 36():20-9. PubMed ID: 22503859.
    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.
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