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Dynamic modelling of consecutive reactions: Application to the acrylonitrile amination
Author(s) -
Kadri Brahim,
Fabre Bernard,
Accary Armand,
Kessler Mathieu
Publication year - 1998
Publication title -
the canadian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.404
H-Index - 67
eISSN - 1939-019X
pISSN - 0008-4034
DOI - 10.1002/cjce.5450760620
Subject(s) - acrylonitrile , isothermal process , reaction calorimeter , calorimeter (particle physics) , thermodynamics , amination , chemistry , kinetic energy , chemical reaction , stoichiometry , computer science , organic chemistry , polymer , calorimetry , physics , copolymer , telecommunications , quantum mechanics , detector , catalysis
When dealing with optimal control problems to maximize the selectivity of reactions for fine chemical synthesis, representative kinetic and thermodynamic models should be available. While literature appears to be very extensive on theoretical approaches to solve the problem, examples presenting complete models of chemical transformations are scarce. This paper presents the identification of consecutive reactions carried out in a batch reactor. Material and energy balances, satisfying dynamical state evolutions in the temperature range 20‐60°C are deduced, for concentrations of acrylonitrile ranging up to 1.6 kmol·m −3 . The stoichiometric network is simplified into two reactions, one reversible and one irreversible. Reaction enthalpies are measured from isothermal runs conducted in the RC1 heat‐flow calorimeter from Mettler Toledo.