E. A. L. Macedo

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Highlights ► We modify OPLS force field to describe mixture. ► We calculated Gibbs free energy by thermodynamic integration method. ► We investigate the stability of mixture. ► We predict mutual solubility by double tangent method. The liquid–liquid equilibria for low pH aqueous acid solution + tri-octylamine (or tri-butylphosphate) + 1-decane and the(More)
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