Industrial & Engineering Chemistry Research
Industrial & Engineering Chemistry Research
5 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

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.