Abstract
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 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 se...
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