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Automated discovery of chemical reaction networks

The identification of models of chemical reaction networks is of importance in the safe, economic and environmentally sensitive development of chemical products. Qualitative models of a network of interactions are used in the design of drugs and other therapies. Quantitative models of the behaviour of reaction networks are the foundation of the science of reaction engineering (e.g. see Levenspiel, 1999); allowing the use of simulation software in the rapid development of commercial scale production processes. This work extends the existing methods reported by Burnham et al. (2006); adopting the global basis fonction method first applied to this problem by Crampin et al. (2004a).

Identiferoai:union.ndltd.org:bl.uk/oai:ethos.bl.uk:500929
Date January 2009
CreatorsEnglish, Philip J.
PublisherUniversity of Newcastle Upon Tyne
Source SetsEthos UK
Detected LanguageEnglish
TypeElectronic Thesis or Dissertation

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