3 years ago

Agent-to-Simulant Relationships for Vapor Emission from Absorbing Materials

Agent-to-Simulant Relationships for Vapor Emission from Absorbing Materials
Brent A. Mantooth, Joseph P. Myers, Thomas P. Pearl, Stefan A. Bringuier, Mark J. Varady
When using a simulant to predict the behavior of a chemical warfare agent (CWA), it is not always possible to sufficiently match all relevant properties, and the use of an agent-to-simulant relationship is required. The objective of the agent-to-simulant relationship developed here is to enable the prediction of vapor emission rate of a CWA from a polymer given an experimental measurement of the vapor emission rate of a simulant from the polymer. Vapor emission experiments for the CWA sulfur mustard (HD) and the simulants methyl salicylate (MeS) and 2-chloroethyl ethyl sulfide (CEES) absorbed in the polymers silicone and polydimethylsiloxane (PDMS) were carried out to verify the theoretical predictions. It was found that the agent-to-simulant relationship holds if the initial dimensionless concentration distributions and Biot numbers in the polymer are similar for the agent and simulant. The mathematical agent-to-simulant relationship also provides guidance on the critical properties to match in simulant selection.

Publisher URL: http://dx.doi.org/10.1021/acs.iecr.7b02323

DOI: 10.1021/acs.iecr.7b02323

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