Andrew's paper on phenanthrene solubility is published

Andrew Paluch's paper entitled "Predicting the Solubility of Solid Phenanthrene: A Combined Molecular Simulation and Group Contribution Approach" was recently published in the AIChE Journal (vol 57, issue 7 pp 2647-2661, 2013). In this paper, a simple correction to the infinite dilution activity coefficient is computed from simulations.Properties of the pure solid solute are estimated using the group contribution method of Gani and coworkers, allowing for efficient blind solubility predictions to be made. The method is applied to predict the solubility of solid phenanthrene in 17 different solvents.


Edward Maginn 2014ed@nd.edu