A Case Study Of Catalyst Activity Estimation In A Nonisothermal Fixed Bed Reactor With Decaying Catalyst

Author : Justin Aubry Nellett
Publisher :
ISBN 13 :
Total Pages : 580 pages
Book Rating : 4.:/5 (838 download)

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Download or read book Modeling, Simulation, and Parameter Estimation of Catalytic and Non-catalytic Heterogeneous Reaction Kinetics in Fluid-solid Reactor Systems written by Justin Aubry Nellett and published by . This book was released on 2006 with total page 580 pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: As the worldwide demand for energy continues to experience substantial increases, greater portions of this demand are expected to be fulfilled through the use of cheap and abundant fossil fuels; most notably coal. The combustion of coal releases large amounts of polluting nitric oxide and considerable efforts have been made in developing carbon sorbent technologies that remove these pollutants from coal combustion flue gases so that the use of coal as an energy source can become as environmentally friendly as it is economically practical. These technologies utilize heterogeneous reaction chemistry in decomposing the oxides of nitrogen through the use of both catalytic and non-catalytic reactions with carbon. This dissertation aims to model reactor systems that will hopefully utilize such technology. The purpose of this dissertation has two primary components: to develop and validate thorough and accurate models that link together, as effectively as possible, both theory and experiment, in describing the heterogeneous reduction behavior of nitric oxide through activated carbon sorbents; and to determine a set of kinetic parameters for use by these models that produce simulated results that closely matched those that were experimentally measured. These models are large systems of coupled ordinary differential equations in time and partial differential equations in space and time. The partial differential equations of a given system are discretized in space producing a large set of ordinary differential equations and the combined set of ordinary differential equations was integrated in time to yield the solution. The focus in this development has been on both the qualitative and quantitative aspects in the modeling of such reaction chemistry and in the utilization of such chemistry in both thermo gravimetric analysis (TGA) reactor and packed bed reactor (PBR) systems that decompose nitric oxide. Separate first and second order sensitivity systems were derived from the TGA reactor models to describe how sensitive the operation of the TGA reactor was to the kinetic parameters used to model the NO reduction chemistry. These sensitivity systems are large systems of coupled ordinary/partial differential equations that were solved in the same manner as the reactor models were solved. These separate models were used in an iterative optimization procedure that utilized a subspace trust region interior Newton- reflective method whose objective was to obtain a set of kinetic parameters that produces model simulated results that closely matched those that were experimentally measured with the TGA reactor. The set of kinetic parameters obtained from this procedure was then used with the reactor models to simulate sets of experiments conducted with the TGA and PBR systems. The results of these simulations closely matched the data of the corresponding experiments that were experimentally measured.