Please note that the molecule hex-3-ene-1,5-diyne is probably not stable as a solvent in practice due to its multiple unsaturated bonds. However, practical validation is beyond the scope of this work. have used the COSMO-CAMD framework to design an optimal solvent for the removal of phenol from wastewater. We use the same design problem, but we now apply the augmented COSMO-CAMD framework with fine-tuned warm start. For a benchmark case, we initialize the genetic algorithm using the configuration outlined by Scheffczyk (E) and raffinate (R), respectively. The activity coefficients γ ∞ phenol,R and γ ∞ phenol,E for the solute phenol in R and E are computed using the COSMO-RS model at the liquid-liquidequilibrium with the solute at infinite dilution and at a temperature T of 25 • C. M c denotes the molar mass of component c present in the mixture. Due to the assumption of infinite dilution, mole fractions of the solute phenol are x phenol,E = x phenol,R ≈ 0. Accordingly, the 460 screening criterion in the Screening phase f S (y) and the objective function f D (y) in the Design phase are defined as follows: