Estrategias numericas para solução de modelos de não-equilibrio para absorção gasosa com reações quimicas complexas (regime estacionario e dinamico)

AUTOR(ES)
DATA DE PUBLICAÇÃO

2000

RESUMO

Gas absorption with chemical reactions is a very common industrial separation processo Until now the traditional equilibrium stage model have been the main tools to the design and unsteady state simulations of the gas-liquid contact equipment. The nonequilibrium model based on mass transfers fundamentais presents a more realistic description of the gas-liquid interaction processo In the Non-equilibrium model, is very important the description of mass transfers of gas-liquid interface in both, unsteady and steady state. The present work shows numerical strategies to solve a non-equilibrium model of absorption accompanied by complex chemical reaction on plate columns in both, unsteady and steady state. The absorption of carbon dioxide in aqueous solution of MEA and DEA (parallel chemical reactions) in an industrial plate column was considered. The Non-equilibrium model (two phasis model) is formed of models or theory for interfacial fluxes description and bulk phasis equations at each stage (gas and liquid). The mass transfer rate between the two phases in each stage of the column requires the complex solution of a system of simultaneous coupled ordinary (and perhaps partial) differential equations. In the numerical strategy for solving the two-resistance theory (twofilm model), The solution of the set of equations was obtained using a computational scheme though orthogonal collocation on finite elements (spline collocation) with one point spline and with one point in the second element. Also this methodology is applied to the solution of nonlinear-coupled partial differential equations considering unsteady state mo deI ( film-penetration model ) for mass-transfer at interface. The last application involves the conversion ofthe PDEs to ODEs (method oflines) and the use ofthe DASSL solver (Petzold, 1989) for the nonlinear differential and algebraic equation (DAE) system. In the numerical strategy for solving the steady state simulations of this gas-liquid contact equipment ( complete column), the two-resistance theory was considered. In this numerical algorithms the film and the bulk phase s equations are treated separately. The equations for the two-resistance theory was solved using spline orthogonal collocation type of discretization schemes with Newton-Raphson method for solving the nonlinear algebraic system created. The bulk phase s balances were solved using the fourth-order Runge-Kutta method for gas phase and algebraic equation system from mass balance for liquid phase. The aim of this work is to present an altemative way to overcome the computational demand and slowness to solve the non-equilibrium models for both the unsteady and steady state. The methodology involves the development of the neural networks to obtain the mass flux between the two phases in each stage. The neural networks coupled to the equation system for each bulk phase in each stage result in a hybrid-neural model. The differential and algebraic equation (DAE) systems also created with these numerical strategies for the complete columns model was also solved with LSOLDAR The last numerical strategies explain and investigated in this work proved to be useful, requires little computational demand with results agreement with the literature data. This strategy is more efficient than others when considering the computational time. The numerical strategies explain and investigated in this work proved that is not impossible use the non-equilibrium model in study of Gas absorption with chemical reactions. This fact could be a good reason for future use of those strategies in optimization and control of absorption process

ASSUNTO(S)

calculos numericos - programas de computador absorção redes neurais (computação) modelos matematicos separação (tecnologia)

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