Development of an Experimental Database and Theories for Prediction of Thermodynaic Properties of Aqueous Electrolytes and Nonelectrolytes and Geochemical Significance at Supercritical Temperature and Pressures

摘要

The objectives of this research are to combine new experimental measurements on heat capacities, volumes, and association constants of key compounds with theoretical equations of state, and with first principals quantum mechanical predictions, to generate estimates of thermodynamic properties of aqueous solutes. The resulting thermodynamic data allow quantitative models of geochemical processes at high temperatures and pressures.