Industry/University Cooperative Project: Thermodynamic Properties of Ionic Organic Molecules in Aqueous Solutions

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A theory for the thermodynamic properties (solubilities, vapor pressures, distribution coefficients) of ionic organic molecules is to be developed. Experiments are performed to test its accuracy and limitations. The theory is to be created from two existing, but unrelated theories, the Perturbed Anisotropic Chain Theory (PACT) and the Restricted Primative Model (RPM). The PACT treats molecular attractions (van der Waals forces, dipoles, quadrupoles, hydrogen bonding) as perturbations about the hard sphere potential. It includes the effects of rotational and vibrational degrees of freedom and hence can be used for small, medium, or large molecules, including polymers. The Restricted Primative Model allows the prediction of ion-ion interactions. By combining these two theories, it is possible to predict accurately the properties of ionic organic molecules (e.g., amino acids, alkanol amines) and ionic polymers (proteins). Two kinds of experiments are performed using electrolytic systems: vapor-liquid equilibria are measured for some systems and the other measures liquid-liquid distribution coefficients.