A Comprehensive Model for Multi-Component Multi-Phase Transport and Chemical Reaction in Porous Media (Agent/Substrate/Humidity)
Homayun Navaz, Ali Zand, Theresa Atkinson, Bojan Markicevic, Albert Nowakowski, Michael Herman, Moshe Rothstein
Abstract Number: 43
Working Group: Chemical and Biological Defense Hazard Assessment
Last modified: March 27, 2011
A comprehensive model capable of solving one of the most complex problems encountered in the agent substrate interaction is developed. The model solves the transient and time-accurate mass and momentum governing equations for a multi-phase and multi-component system in a three dimensional space. The source terms includes chemical reaction and all inter-phase mass production/destruction caused by solid, liquid, or gaseous phases. The impact of chemical reaction products on the transport properties in porous media such as porosity, capillary pressure, and permeability is considered. Numerous validations for simulants, agents, and pesticides with laboratory and open air data are presented. Results for chemical reactions in the presence of pre-existing water in porous materials such as moisture, or separated agent and water droplets on porous substrates are presented. The model will greatly enhance DTRA’s capabilities in predicting the level of threat after any chemical (agent, TICs and TIMs) release on environmental substrates.