Method development for rapid and accurate physicochemical property estimates
When responding to a chemical spill/release incident, first responders need accurate information about the spilled substance’s environmental fate and transport properties and toxicity, among other information. When this information is not available, computational methods can be employed to rapidly provide high-level estimates of fundamental physical/chemical properties of these substances. These property estimates can be directly used in higher-level models that decision makers in the Incident Command System can consult.
Drs. Alexander and DeYonker are actively pursuing workflows and methods to bring these methods to a point where they can be applied in the field to aid future disaster response decisions.
This work is funded by the National Science Foundation.
