Hybrid modelling and kinetic estimation for polystyrene batch reactor using Artificial Neutral Network (ANN) approach

Hosen, M.A.; Hussain, M.A.; Mjalli, F.S. (2011) Hybrid modelling and kinetic estimation for polystyrene batch reactor using Artificial Neutral Network (ANN) approach. Asia-Pacific Journal of Chemical Engineering, 6 (2). pp. 274-287. ISSN 1932-2135

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Abstract

Modelling polymerization processes involves considerable uncertainties due to the intricate polymerization reaction mechanism involved. The complex reaction kinetics results in highly nonlinear process dynamics. Available conventional models are limited in applicability and cannot describe accurately the actual physico-chemical characteristics of the reactor dynamics. The usual practice for operating polymerization reactors is to optimize the reactor temperature profile because the end use properties of the product polymer depend highly on temperature. However, to obtain accurate models in order to optimize the temperature profile, the kinetic parameters (i.e. frequency factors and activation energies) for a specific reactor must be determined accurately. Kinetic parameters vary considerably in batch reactors because of its high sensitivity to other reactor design and operational variables such as agitator geometry and speed, gel effects, heating systems, etc. In this work, the kinetic parameters were estimated for a styrene-free radical polymerization conducted in an experimental batch reactor system using a nonlinear least squares optimization algorithm. The estimated kinetic parameters were correlated with respect to reactor operating variables including initial reactor temperature (T o), initial initiator concentration (I o) and heat duty (Q) using artificial neural network (ANN) techniques. The ANN kinetic model was then utilized in combination with the conventional mechanistic model. The experimental validation of the model revealed that the new model has high prediction capabilities compared withother reported models.

Item Type: Article
Creators:
  1. Hosen, M.A.
  2. Hussain, M.A.(Department of Chemical Engineering, University of Malaya, 50603 Kuala Lumpur, Malaysia)
  3. Mjalli, F.S.
Journal or Publication Title: Asia-Pacific Journal of Chemical Engineering
Additional Information: 748WR Times Cited:1 Cited References Count:32
Uncontrolled Keywords: Artificial neural network, kinetic parameters, modelling polymerization reactor, optimization, parameter estimation, polystyrene batch reactor, Artificial neutral network, Batch reactor systems, Conventional models, End-use properties, Experimental validations, Frequency factors, Gel effect, Heating system, High sensitivity, Highly nonlinear, Hybrid modelling, Initiator concentration, Kinetic models, Mechanistic models, New model, Nonlinear least-squares optimization, Operating variables, Operational variables, Physicochemical characteristics, Polymerization process, Polymerization reaction, Polymerization reactors, Prediction capability, Reactor designs, Reactor dynamics, Reactor temperatures, Styrene-free radicals, Temperature profiles, Activation energy, Batch reactors, Free radical polymerization, Free radicals, Neural networks, Polymers, Polystyrenes, Reaction kinetics, Styrene, Temperature control.
Subjects: T Technology > TA Engineering (General). Civil engineering (General)
T Technology > TP Chemical technology
Divisions: Faculty of Engineering
Depositing User: Mr Jenal S
Date Deposited: 10 Jul 2013 09:11
Last Modified: 10 Jul 2013 09:11
URI: http://eprints.um.edu.my/id/eprint/7016

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