Molecular dynamics study on the use of Deep Eutectic Solvents for Enhanced Oil Recovery

Abstract

The suitability of using Deep Eutectic Solvents for chemical Enhanced Oil Recovery operations is analyzed from the nanoscopic viewpoint using classical molecular dynamics simulations. Four different eutectics were considered based on Choline Chloride, as hydrogen bond acceptor, plus urea, glycerol, ethylene glycol or levulinic acid, as hydrogen bond donors. Two main effects were studied to study their suitability: i) eutectic solutions – oil interfacial tension and ii) wettability of oil droplets on calcite surfaces in presence of eutectic solutions to study the possible evolution from oil wet to water wet behavior. Different eutectic concentrations in water halide solutions, as a model of brine in reservoirs, are studied. The main physical properties such as interfacial tension or contact angle are analyzed as well as the behavior of the oil in presence of the eutectic solutions in terms of intermolecular forces, energy of interactions, molecular arrangements and adsorption at the corresponding interfaces. The reported results allow to infer the nanoscopic effects on the basis of the use of eutectics for enhanced oil recovery operations, thus providing the information which may contribute to the development of environmentally friendly operations using these low-cost green solvents.