Fate of sessile droplet chemical agents in environmental substrates in the presence of physiochemical processes

H. K. Navaz; A. L. Dang; T. Atkinson; A. Zand; A. Nowakowski; K. Kamensky

doi:10.1117/12.2049595

29 May 2014 Fate of sessile droplet chemical agents in environmental substrates in the presence of physiochemical processes

H. K. Navaz, A. L. Dang, T. Atkinson, A. Zand, A. Nowakowski, K. Kamensky

Author Affiliations +

Proceedings Volume 9073, Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XV; 90730A (2014) https://doi.org/10.1117/12.2049595
Event: SPIE Defense + Security, 2014, Baltimore, MD, United States

Abstract

A general-purpose multi-phase and multi-component computer model capable of solving the complex problems encountered in the agent substrate interaction is developed. The model solves the transient and time-accurate mass and momentum governing equations in a three dimensional space. The provisions for considering all the inter-phase activities (solidification, evaporation, condensation, etc.) are included in the model. The chemical reactions among all phases are allowed and the products of the existing chemical reactions in all three phases are possible. 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 the capabilities in predicting the level of threat after any chemical such as Toxic Industrial Chemicals (TICs) and Toxic Industrial Materials (TIMs) release on environmental substrates. The model’s generality makes it suitable for both defense and pharmaceutical applications.

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H. K. Navaz, A. L. Dang, T. Atkinson, A. Zand, A. Nowakowski, and K. Kamensky "Fate of sessile droplet chemical agents in environmental substrates in the presence of physiochemical processes", Proc. SPIE 9073, Chemical, Biological, Radiological, Nuclear, and Explosives (CBRNE) Sensing XV, 90730A (29 May 2014); https://doi.org/10.1117/12.2049595

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KEYWORDS

Data modeling

Chemical reactions

Liquids

Industrial chemicals

Solids

Defense and security

Turbulence

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