Kinetic controls on the performance of remediation technologies based on zero-valent iron
The kinetics of dechlorination by zero-valent iron are usually best described by surface-area normalized, pseudo first-order rate constants (k{sub SA}). For input parameters in preliminary design calculations and generalized modeling exercises, typical values of k{sub SA} for the major groundwater contaminants have been obtained by averaging previously published data. These average values of k{sub SA} (k{sub SA}{sup avg})are also appropriate for correlation analysis, which can be used to assess the role that chemical structure plays in determining rates of dechlorination by zero-valent iron. Toward this end, the authors have developed a quantitative structure-activity relationship (QSAR) that relates k{sup avg}{sub SA} to energies of the lowest unoccupied molecular orbital (E{sub LUMO}) for the various chlorinated solvents. The WSAR can be used to predict k{sub SA}'s for compounds for which experimental data are not yet available.
- Research Organization:
- Oregon Graduate Inst. of Science and Technology, Portland, OR (US)
- Sponsoring Organization:
- Petroleum Research Fund
- OSTI ID:
- 20014876
- Resource Relation:
- Conference: 1998 National Conference on Environmental Engineering, Chicago, IL (US), 06/07/1998--06/10/1998; Other Information: PBD: 1998; Related Information: In: Water resources and the urban environment--98, by Wilson, T.E. [ed.], 754 pages.
- Country of Publication:
- United States
- Language:
- English
Similar Records
Development of zero-valent iron as an in situ reactant for remediation of VOC-contaminated ground water
Degradation of soil-sorbed trichloroethylene by stabilized zero valent iron nanoparticles: Effects of sorption, surfactants, and natural organic matter