Solubility of Polychlorinated Biphenyls in Water/Alcohol Mixtures. 2. Predictive Methods

摘要

Five methods were evaluated for their ability and accuracy to estimate the solubilities of polychlorinated biphenyl (PCB) congeners in mixtures of water and n-alcohols. The evaluation was performed by comparing the estimates with the experimental solubility data from 77 different systems containing PCBs, alcohols, and water. Within their specific applicable scopes, the overall estimation errors were 39%, 24%, 22%, 32%, and 35% for the log-linear model, the excess free energy approach, the phenomenological model, the extended regular solution theory, and the UNIFAC method, respectively. While the log-linear and UNIFAC methods are useful predictive tools, the phenomenological model provides valuable mechanistic information for the solution process.