Modelling of organic liquid-phase decomposition reactions through gas-phase product analysis: Model systems and peracetic acid |
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Authors: | Niko Musakka,Johan Wä rnÅ ,Marjatta Piironen |
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Affiliation: | a Laboratory of Industrial Chemistry, Process Chemistry Centre, Åbo Akademi, FI-20500 Åbo/Turku, Finland b Kemira, Box 171, FI-90101 Oulu, Finland |
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Abstract: | A new method for modelling of liquid-phase decomposition reactions was developed. The method is based on rapid on-line mass spectrometric analysis of liberated products in gas phase. The experimental set-up and the generalized modelling principles were introduced. The approach was demonstrated with first and zero order as well as for complex decomposition kinetics (decomposition of peracetic acid). The interaction of decomposition kinetics and mass-transfer effects was illustrated with theoretical and real reaction conditions. The approach is generally applicable to any liquid-phase decomposition, provided that gaseous products can be quantitatively analyzed. |
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Keywords: | Decomposition Chemical analysis Semi-batch reactor Mathematical modelling Kinetics Mass transfer |
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