Date of Award
Master of Science in Chemical Engineering - (M.S.)
Chemical Engineering, Chemistry and Environmental Science
Dana E. Knox
John E. McCormick
Activity coefficients and Henry's law constants for 25 organic priority pollutants were estimated using UNIFAC thermodynamic calculations. For 6 of these compounds, the results were compared with measured values reported in the literature. This indicated errors in the UNIFAC predictions varying from 24.0% to 95.0%. Best results with UNIFAC were obtained using liquid-liquid equilibria, rather than vapor-liquid equilibria.
Octanol/water partition coefficients were also estimated for the same 25 organic priority pollutants using the fragment constant method. Results differed from values reported in the literature by 5% to 170%.
Estimated activity coefficients were also used to predict stripping rates of organic priority pollutants from aerated batch and continuous flow reactors.
Pai, Pinchieh, "Prediction of vapor and liquid equilibrium properties for 25 organic priority pollutants in aqueous solution" (1986). Theses. 2017.