Mathematical Modeling Of Reverse Flow Oxidation Catalysts
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Mathematical Modeling of Reverse Flow Oxidation Catalysts
A theoretical model and a computer simulation on methane (CH4) reduction in a simulated natural gas exhaust mixture are performed for a Reverse-Flow Oxidation Catalyst. This theoretical model is to predict the conversion of methane flowing through an oxidation catalyst with periodic reversal of flow direction. The model developed for this purpose is a transient, 1-Dimensional plug flow model with gas phase reactions and surface reactions. The derivation of the model resulted in the mole balance equation and the energy balance equation for the gas phase and the solid phase. The momentum equation for this model is neglected as it is assumed that there is no pressure drop across the catalyst. A FORTRAN code was developed to simulate the forward flow and the reverse flow of the gas species through the catalyst. This code can have a symmetrical or an asymmetrical switching according to the user. It also gives an option of running the code either in the forward direction or with periodic switching to analyze the effect of switching. With this code, the optimum switching time for the maximum conversion of methane was found. The effect of various parameters such as the length of the catalyst, the concentration of the gas species, pre-exponential term and the activation energy was also analyzed. The results show that the optimum switching frequency is 25 seconds for all space velocities for a 10 cm long catalyst with 2000 ppm of inlet methane. The increase in the v conversion of methane when compared to the unidirectional flow was found to be 47% at 450°C for a gas hourly space velocity of 50,000 hr−1. It was also found that, at 450°C for a gas hourly space velocity of 50,000 hr−1, the pre-exponential factor and the length of the catalyst had negligible effect on the conversion of methane. The activation energy and the inlet concentration had a significant effect on the methane conversion which is discussed in further chapters. It was also found that symmetric switching had increased solid temperature profile and methane conversion efficiency when compared to the asymmetric switching frequency.
Mathematical Modeling of Complex Reaction Systems in the Oil and Gas Industry
Master the fundamentals of reaction systems modeling for the age of decarbonization Reactor design is one of the most important parts of the oil and gas industry, with reactor processes and the accompanying technologies constantly evolving to meet industry needs. A crucial component of effective reactor design is modelling complex reaction systems, which can help predict commercial performance, shape safety procedures, and more. At a time when decarbonization and clean energy transition are among the fundamental global technological challenges, it has never been more important for engineers to grasp the cutting edge of reaction system modelling. Mathematical Modeling of Complex Reaction Systems in the Oil and Gas Industry provides a systematic introduction to this timely subject. Each chapter provides a step-by-step description of the kinetic and reactor models for a particular kind of process and its accompanying systems. Backed by voluminous experimental data and incorporating extensive simulation results, the book constitutes an indispensable contribution to the global search for clean energy solutions. Mathematical Modeling of Complex Reaction Systems in the Oil and Gas Industry readers will also find: All the required tools for developing new reactor models for different reaction scales Detailed discussion of topics including hydrocracking of heavy oils, catalyst deactivation, oxidative regeneration of catalysts, and many more Extensive treatment of both steady-state and dynamic simulations Mathematical Modeling of Complex Reaction Systems in the Oil and Gas Industry is ideal for chemical and process engineers, computational chemists and modelers, catalysis researchers, and any other researchers or professionals in petrochemical engineering and the oil and gas industry.
Periodic Operation of Chemical Reactors
Author: P. L. Silveston
language: en
Publisher: Butterworth-Heinemann
Release Date: 2012-12-04
This comprehensive review, prepared by 24 experts, many of whom are pioneers of the subject, brings together in one place over 40 years of research in this unique publication. This book will assist R & D specialists, research chemists, chemical engineers or process managers harnessing periodic operations to improve their process plant performance. Periodic Operation of Reactors covers process fundamentals, research equipment and methods and provides "the state of the art" for the periodic operation of many industrially important catalytic reactions. Emphasis is on experimental results, modeling and simulation. Combined reaction and separation are dealt with, including simulated moving bed chromatographic, pressure and temperature swing and circulating bed reactors. Thus, Periodic Operation of Reactors offers readers a single comprehensive source for the broad and diverse new subject. This exciting new publication is a "must have" for any professional working in chemical process research and development. - A comprehensive reference on the fundamentals, development and applications of periodic operation - Contributors and editors include the pioneers of the subject as well as the leading researchers in the field - Covers both fundamentals and the state of the art for each operation scenario, and brings all types of periodic operation together in a single volume - Discussion is focused on experimental results rather than theoretical ones; provides a rich source of experimental data, plus process models - Accompanying website with modelling data