Modeling infinite dilution activity coefficients of environmental pollutants in water using conformal solution theory
- Univ. of Tennessee, Knoxville, TN (United States)
The fate of organic pollutants in the environment and in wastewater treatment processes is commonly modeled using a Henry`s law constant approach. By definition, Henry`s law constant is the product of a compound`s vapor pressure and infinite dilution activity coefficient. For many organic compounds in water solution, the infinite dilution activity coefficients are very large and are not adequately modeled by conventional methods such as UNIFAC. In this work, infinite dilution activity coefficients were determined for phenol, pyridine, aniline, p-toluidine, and o-toluidine in water by differential ebulliometry. An equation rigorously derived from conformal solution theory and van der Waals one-fluid mixing rules was used to model the temperature dependency of the infinite dilution activity coefficients. No corrections other than the introduction of two adjustable parameters were incorporated into the model to account for the strong interactions between molecules. Relationships derived from corresponding states theory were used to relate molecular parameters for size and energy interaction to the critical properties. Arithmetic mean combining rules and geometric mean combining rules were used to calculate size and interaction parameters, respectively.
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 88721
- Report Number(s):
- CONF-931043-; ISSN 0149-6395; TRN: 95:004653-0042
- Journal Information:
- Separation Science and Technology, Vol. 30, Issue 7-9; Conference: 8. symposium on separation science and technology for energy applications, Gatlinburg, TN (United States), 24-28 Oct 1993; Other Information: PBD: Apr-May 1995
- Country of Publication:
- United States
- Language:
- English
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