Flow detoxification of a sulfur mustard simulant with organometallic compounds enabled by an optimization algorithm

The flow detoxification of the yperite simulant CEES (chloroethyl ethyl sulfide) with PhMgBr or PhLi proceeds in a faster fashion than in a classical batch reactor, to afford the corresponding substitution or dehydrohalogenation product, respectively. An optimization algorithm was deployed to determ...

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Published in:Reaction chemistry & engineering 2023-09, Vol.8 (1), p.2658-2663
Main Authors: da Silva, Valmir Baptista, Mansour, Sergui, Delaune, Antonin, Felpin, François-Xavier, Legros, Julien
Format: Article
Language:English
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Algorithms
Chemical Sciences
Mustard gas
Optimization
Organometallic compounds
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creator da Silva, Valmir Baptista
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description The flow detoxification of the yperite simulant CEES (chloroethyl ethyl sulfide) with PhMgBr or PhLi proceeds in a faster fashion than in a classical batch reactor, to afford the corresponding substitution or dehydrohalogenation product, respectively. An optimization algorithm was deployed to determine the best experimental conditions for full neutralisation with PhMgBr in flow and to allow multigram scaling. The flow detoxification of the yperite simulant CEES with PhMgBr (>99.5%) was developed at a minimal experimental cost thanks to an optimization algorithm.
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subjects Algorithms
Chemical Sciences
Mustard gas
Optimization
Organometallic compounds
title Flow detoxification of a sulfur mustard simulant with organometallic compounds enabled by an optimization algorithm
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