Science Inventory

MECHANISTIC-BASED DISINFECTION AND DISINFECTION BYPRODUCT MODELS

Description:

We propose developing a mechanistic-based numerical model for chlorine decay and regulated DBP (THM and HAA) formation derived from (free) chlorination; the model framework will allow future modifications for other DBPs and chloramination. Predicted chlorine residual and DBP results will be compared against predictions from several other quasi-mechanistic models. We anticipate a significant improvement in prediction accuracy over existing empirical models. Several modeling hypotheses are proposed as a basis for a mechanistic-based model for disinfectant decay and DBP formation. The central modeling hypothesis is that a two-site reaction mechanism can be used to predict disinfectant decay in the presence of natural organic matter (NOM). It assumes that NOM contains both slow and fast disinfectant-reacting and DBP-forming sites. NOM site densities and concentrations are related to the concentration, size, structure and functionality of NOM. Our model will also include fitted rate constants that are a function of pH and temperature. A series of distribution functions, based upon the predicted ratios of free-bromine to free-chlorine, will be used to estimate each of the four trihalomethane species (THM4) and each of the nine haloacetic acid species (HAA9).

URLs/Downloads:

Final Progress Report

Record Details:

Record Type:PROJECT( ABSTRACT )
Start Date:12/15/1998
Completion Date:12/14/2001
Record ID: 52290