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Mathematical Modeling of Complex Reaction Systems in the Oil and Gas Industry

Mathematical Modeling of Complex Reaction Systems in the Oil and Gas Industry
Author: Jorge Ancheyta
Publisher: John Wiley & Sons
Total Pages: 485
Release: 2024-09-30
Genre: Technology & Engineering
ISBN: 1394220022

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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.


Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion

Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion
Author:
Publisher: Elsevier
Total Pages: 1034
Release: 2019-06-06
Genre: Technology & Engineering
ISBN: 0444640886

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Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, Volume 45, gives an overview of the different steps involved in the development and application of detailed kinetic mechanisms, mainly relating to pyrolysis and combustion processes. The book is divided into two parts that cover the chemistry and kinetic models and then the numerical and statistical methods. It offers a comprehensive coverage of the theory and tools needed, along with the steps necessary for practical and industrial applications. Details thermochemical properties and "ab initio" calculations of elementary reaction rates Details kinetic mechanisms of pyrolysis and combustion processes Explains experimental data for improving reaction models and for kinetic mechanisms assessment Describes surrogate fuels and molecular reconstruction of hydrocarbon liquid mixtures Describes pollutant formation in combustion systems Solves and validates the kinetic mechanisms using numerical and statistical methods Outlines optimal design of industrial burners and optimization and dynamic control of pyrolysis furnaces Outlines large eddy simulation of turbulent reacting flows


Complex Chemical Reaction Systems

Complex Chemical Reaction Systems
Author: Jürgen Warnatz
Publisher: Springer
Total Pages: 0
Release: 1987
Genre: Science
ISBN: 9783642832246

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Chemical reaction systems of practical interest are usually very complex: They consist of a large number of elementary reactions (hundreds or thou sands in a small system), mostly with rate coefficients differing by many orders of magnitude, which leads to serious stiffness, and they are often coupled with surface reaction steps and convective or diffusive processes. Thus, the derivation of a "true" chemical mechanism can be extremely cumbersome. In most cases this is done by setting up "reaction models" which are improved step by step using, for example, perturbation theory, numerical simulation and sensitivity analysis (and - hopefully, in the near future - parameter identification procedures), and by comparison with experimental data on sensitive properties. Because of the complexity of these processes, it was very difficult in the past to convince engineers to apply methods using detailed mecha nisms given in terms of elementary reactions, and even in basic sciences there was scepticism about this ambitious aim. A previous workshop on modelling of chemical reaction systems held in 1980 was an attempt to find a common language of mathematicians, chemists, and engineers working in this interdisciplinary area. Since then considerable progress has been made by the simultaneous development of applied mathematics, an enor mous increase of computer capacity, and the development of experimental techniques in physical chemistry that have made available well-working reaction mechanisms in some fields of reaction kinetics.


Complex Chemical Reaction Systems

Complex Chemical Reaction Systems
Author: J. Warnatz
Publisher: Springer
Total Pages: 432
Release: 1987
Genre: Chemical reactions
ISBN:

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Mathematical Models of Chemical Reactions

Mathematical Models of Chemical Reactions
Author: Péter Érdi
Publisher: Manchester University Press
Total Pages: 296
Release: 1989
Genre: Chemical reactions
ISBN: 9780719022081

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Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion

Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion
Author:
Publisher: Elsevier
Total Pages: 1034
Release: 2019-06-21
Genre: Technology & Engineering
ISBN: 0128195797

Download Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion Book in PDF, ePub and Kindle

Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, Volume 45, gives an overview of the different steps involved in the development and application of detailed kinetic mechanisms, mainly relating to pyrolysis and combustion processes. The book is divided into two parts that cover the chemistry and kinetic models and then the numerical and statistical methods. It offers a comprehensive coverage of the theory and tools needed, along with the steps necessary for practical and industrial applications. Details thermochemical properties and "ab initio" calculations of elementary reaction rates Details kinetic mechanisms of pyrolysis and combustion processes Explains experimental data for improving reaction models and for kinetic mechanisms assessment Describes surrogate fuels and molecular reconstruction of hydrocarbon liquid mixtures Describes pollutant formation in combustion systems Solves and validates the kinetic mechanisms using numerical and statistical methods Outlines optimal design of industrial burners and optimization and dynamic control of pyrolysis furnaces Outlines large eddy simulation of turbulent reacting flows


Computer-Aided Modeling of Reactive Systems

Computer-Aided Modeling of Reactive Systems
Author: Warren E. Stewart
Publisher: John Wiley & Sons
Total Pages: 288
Release: 2008-03-17
Genre: Science
ISBN: 0470282029

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Learn to apply modeling and parameter estimation tools and strategies to chemicalprocesses using your personal computer This book introduces readers to powerful parameter estimation and computational methods for modeling complex chemical reactions and reaction processes. It presents useful mathematical models, numerical methods for solving them, and statistical methods for testing and discriminating candidate models with experimental data. Topics covered include: Chemical reaction models Chemical reactor models Probability and statistics Bayesian estimation Process modeling with single-response data Process modeling with multi-response data Computer software (Athena Visual Studio) is available via a related Web site http://www.athenavisual.com enabling readers to carry out parameter estimation based on their data and to carry out process modeling using these parameters. As an aid to the reader, an appendix of example problems and solutions is provided. Computer-Aided Modeling of Reactive Systems is an ideal supplemental text for advanced undergraduates and graduate students in chemical engineering courses, while it also serves as a valuable resource for practitioners in industry who want to keep up to date on the most current tools and strategies available.