Modelagem matematica e simulação numerica de um sistema reacional composto por reatores tipo tanque agitado e tubular em processos de polimerização

AUTOR(ES)
DATA DE PUBLICAÇÃO

2001

RESUMO

The present work consists of a mathematical modeling and numerical simulation of a solution polymerization reaction, using as study case the polystyrene. The reaction system is composed by a continuous stirred tank reactor (CSTR) for prepolymerization, associated in series with a tubular reactor to carry out the reaction until high conversion values. A simplified model was developed for the CSTR. For the tubular reactor, a simplified model considering only axial variations, and a rigorous model considering axial and radial variations, were developed. In the numerical simulation of the developed mathematical models, the Newton s method was utilized to solve the nonlinear algebraic equations obtained ITom the CSTR modeling, the Runge-Kutta-Gill s method to integrate the ordinary differential equations system generated from the simplified modeling of the tubular reactor, and finally, the Orthogonal Collocation and Adams-Moulton s methods to discretize and integrate respectively, the partial differential equations system resulted trom the rigorous mathematical modeling of the tubular reactor. This work still utilizes an artificial feedforward neural network with the backpropagation training algorithm to predict deviations between the uni and bidimensional models of the tubular reactor. The deviations predicted by the neural network are added to the simplified model outputs, approaching them to the bidimensional model outputs. The way that the neural network is applied in this work just represents one of the great potential utilization of this computational too1. The main objective when the neural network is used is to construct software, based on a hybrid mathematical model, capable to simulate accurately polymerization reactions carried out in the considered reaction system. The styrene polymerization reaction was just utilized as a study case due to a lot of data available in literature

ASSUNTO(S)

polymerization neural networks (computer science) simulação (computadores) computer simulation polimerização redes neurais (computação) estireno styrene

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