A model parameter estimation method using Mathematica© applied to transient chemical engineering processes.

Autor: Mejri, Sabrine, Binous, Housam, Mahgoub, Kamal, Bellagi, Ahmed
Předmět:
Zdroj: Computer Applications in Engineering Education; Sep2018, Vol. 26 Issue 5, p1405-1421, 17p, 1 Color Photograph, 1 Black and White Photograph, 3 Diagrams, 6 Charts, 10 Graphs
Abstrakt: Abstract: In the present paper, we apply a new approach, based on mainly two built‐in functions of the computer algebra Mathematica©, in order to estimate the parameters of several models that describe various transient (i.e., time‐dependent) chemical engineering processes. These models usually consist of either a set of ordinary differential equations (ODEs) or partial differential equations (PDEs). Basing on experimental data, it is possible to obtain, both readily and accurately, estimates of the values of the parameters involved in such models by adopting the proposed methodology. We illustrate the approach with three case studies, all related to chemical reactors. Actual experimental data, collected by senior students at King Fahd University of Petroleum & Minerals during their core laboratory course (i.e., Chemical Engineering Lab II or CHE 409) are used in the first two case studies: (1) response to a tracer input of three continuous stirred‐tank reactors in series and (2) saponification reaction of ethyl acetate in a batch reactor. In the first case study, the residence time distribution and the mean residence time in each reactor are deduced from the set of gathered data. Reaction order and rate constant are estimated from the experimental findings in the second case study. A more advanced situation, involving the solution of the advection–diffusion equation applied to a tubular micro‐reactor, is considered in the third case study. Data were collected, as part of a Ph.D. research of S. Mejri, using an experimental set‐up at Energy Intensified Reactor Engineering Lab at the University of Warwick, U.K. Here, we obtained an estimate of the relevant dimensionless number namely, the Péclet number. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index