AWWA WQTC64113

AWWA WQTC64113 Quantitative Structure Property Relationships for Assessing the Removal of Emerging Organic Contaminants in Water Treatment
Conference Proceeding by American Water Works Association, 11/01/2006

Dickenson, Eric; Drewes, Jorg; Bellona, Chris; Lei, Dawn; Snyder, Shane

More info

Full Description

This slide presentation explores the use of Quantitative Structure-PropertyRelationships (QSPR) as a potential tool to prescreen theremoval of emerging contaminants within drinking watertreatment. The scope of work included: comprehensive literature review on existingQSPR techniques;evaluation of commercially available QSPRmodels and software packages;verification of selected QSPR models; laboratory studies to determine descriptorparameters; and,development of a QSPR toolbox using themost viable components identified andevaluated. Topics outlined include: Developing a QSPR Model; Examples of Descriptor Parameters; Example of a Software forEstimating Descriptor Parameters; Estimating pKa; QSPR Literature Review; Gaps in QSPR Models; Derive Descriptive Parameters; Determined End-Point Treatment Data; and, Determined Molecular Descriptors. Includes table, figures.