Identification of the Boundary Condition in the Diffusion Model of the Hydrodynamic Flow in a Chemical Reactor

The motion of a hydrodynamic flow in a chemical reactor described by a one-dimensional one-parameter diffusion model is considered. Within the framework of this model, the task is set to identify the boundary condition at the reactor outlet containing an unknown concentration of the reagent under study leaving the reactor in a stream. In this case, the law of change in the concentration of the reagent over time at the reactor inlet is additionally set. After the introduction of dimensionless variables, a discrete analogue of the transformed inverse problem in the form of a system of linear algebraic equations is constructed by the method of difference approximation. The discrete analogue of the additional condition is written as a functional and the solution of a system of linear algebraic equations is presented as a variational problem with local regularization. A special representation is proposed for the numerical solution of the constructed variational problem. As a result, the system of linear equations for each discrete value of a dimensionless time splits into two independent linear subsystems, each of which is solved independently of each other. As a result of minimizing the functional, an explicit formula was obtained for determining the approximate concentration of the reagent under study in the flow leaving the reactor at each discrete value of the dimensionless time. The proposed computational algorithm has been tested on the data of a model chemical reactor.

Keywords

chemical reactor; one-parameter diffusion model; Peclet parameter; boundary inverse problem; local regularization method.

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