(GC5)Chemical Fate of Contaminants in the Environment: Chlorinated Hydrocarbons in the Groundwater
EMSL Project ID
1813
Abstract
Chlorinated hydrocarbons (CHCs) are the most common contaminant found at hazardous waste sites and are the most prevalent contaminants on (Department of Energy) DOE weapons production sites. Many of the chlorinated hydrocarbons are either known or suspected carcinogens and thus pose health risks to the public and/or site workers. Chlorinated hydrocarbons, unlike simple hydrocarbons, are resistant to biodegradation, but can degrade by abiotic processes such as hydrolysis, nucleophilic substitution, and dehydrochlorination. Unfortunately, few studies of the reactions of chlorinated hydrocarbons have been reported in the literature, and disagreement still exist about the mechanisms and rates of many of the key reactions.
Project Details
Project type
Capability Research
Start Date
1998-05-31
End Date
2001-10-01
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Dupuis M, GK Schenter, BC Garrett, and EE Arcia. 2003. "Potentials of Mean Force With Ab Initio Mixed Hamiltonian Models of Solvation ." Journal of Molecular Structure - Theochem 632(1-3):173-183.
Re S, and K Morokuma. 2001. "ONIOM Study of Chemical Reactions in Microsolvation Clusters: (H2O)(n)CH3Cl+OH-(H2O)(m) (n+m = 1 and 2)." Journal of Physical Chemistry A 105(30):7185-7197.
Re S, and K Morokuma. 2004. "Own N-layered Integrated Molecular Orbital and Molecular Mechanics Study of the Reaction of OH? with Polychlorinated Hydrocarbons CH(4?n)Cln (n=2?4)." Theoretical Chemistry Accounts 112(2):59-67.