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

Published: 2024-09-30

Total Pages: 485

ISBN-13: 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

Published: 2019-06-06

Total Pages: 1036

ISBN-13: 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


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

Published: 2019-06-07

Total Pages: 1034

ISBN-13: 0128195797

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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.


Modeling and Simulation of Catalytic Reactors for Petroleum Refining

Modeling and Simulation of Catalytic Reactors for Petroleum Refining

Author: Jorge Ancheyta

Publisher: John Wiley & Sons

Published: 2011-04-20

Total Pages: 449

ISBN-13: 1118002164

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Modeling and Simulation of Catalytic Reactors for Petroleum Refining deals with fundamental descriptions of the main conversion processes employed in the petroleum refining industry: catalytic hydrotreating, catalytic reforming, and fluid catalytic cracking. Common approaches for modeling of catalytic reactors for steady-state and dynamic simulations are also described and analyzed. Aspects such as thermodynamics, reaction kinetics, process variables, process scheme, and reactor design are discussed in detail from both research and commercial points of view. Results of simulation with the developed models are compared with those determined at pilot plant scale as well as commercial practice. Kinetics data used in the reactor model are either taken from the literature or obtained under controlled experiments at the laboratory.


Mathematical Modeling in Chemical Engineering

Mathematical Modeling in Chemical Engineering

Author: Anders Rasmuson

Publisher: Cambridge University Press

Published: 2014-03-20

Total Pages: 195

ISBN-13: 1107049695

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A solid introduction, enabling the reader to successfully formulate, construct, simplify, evaluate and use mathematical models in chemical engineering.


An Introduction to Reservoir Simulation Using MATLAB/GNU Octave

An Introduction to Reservoir Simulation Using MATLAB/GNU Octave

Author: Knut-Andreas Lie

Publisher: Cambridge University Press

Published: 2019-08-08

Total Pages: 677

ISBN-13: 1108492436

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Presents numerical methods for reservoir simulation, with efficient implementation and examples using widely-used online open-source code, for researchers, professionals and advanced students. This title is also available as Open Access on Cambridge Core.


CFD Modeling of Complex Chemical Processes

CFD Modeling of Complex Chemical Processes

Author: Li Xi

Publisher: MDPI

Published: 2021-09-01

Total Pages: 296

ISBN-13: 3036512667

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Computational fluid dynamics (CFD), which uses numerical analysis to predict and model complex flow behaviors and transport processes, has become a mainstream tool in engineering process research and development. Complex chemical processes often involve coupling between dynamics at vastly different length and time scales, as well as coupling of different physical models. The multiscale and multiphysics nature of those problems calls for delicate modeling approaches. This book showcases recent contributions in this field, from the development of modeling methodology to its application in supporting the design, development, and optimization of engineering processes.