Solubilities and Liquid Phase Nonidealities in Coal Liquids: Final Report, July 30, 1984-July 30, 1987.

摘要

The research effort was a three year study of the solubilities of polynuclear aromatic hydrocarbons (PAH's) in organic solvents and the vapor-liquid equilibria of some of these same systems. Solubilities of 102 systems were determined as functions of temperature from ambient temperature to the melting point of the solute. The systems are listed and results are presented. Solubility data were analyzed using four solution models (Regular Solution theory, Extended Regular Solution theory, Wilson's Equation, and UNIQUAC) and binary interaction parameters have been obtained for the liquid phase. Also included are analyses of 35 more systems that have been previously published, for the purpose of composition of the predicted activity coefficients. Vapor pressures were determined for five solvents versus temperature. Also determined were the vapor-liquid equilibria for a test system and for six new systems at three temperatures each. New systems are (tetralin-decalin, tetralin-biphenyl, decalin- biphenyl, tetralin-fluorene, tetralin-fluorene, tetralin- dibenzothiophene, and tetralin-dibenzofuran. Results have been analyzed using four common solution models (Wilson's, UNIQUAC, NRTL, and Van Laar) and the optimum binary parameters determined. We have compared the parameters (for Wilson's and UNIQUAC) for the two methods and discussed the pros and cons of each method as a source for these parameters. Some initial steps have been made towards utilizing statistical mechanical methods for these types of systems. 46 refs., 26 figs., 57 tabs. (ERA citation 13:048068)