An Integrated Computer-Aided Approach for Environmental Studies

摘要

A general framework for an integrated computer-aided approach to solve processdesign, control, and environmental problems simultaneously is presented. Physicochemicalproperties and their relationships to the molecular structure play an important role in the pro-posed integrated approach. The scope and applicability of the integrated approach is high-lighted through examples involving estimation of properties and environmental pollutionprevention. The importance of mixture effects on some environmentally important propertiesis also demonstrated.