Molecular Modeling In Heavy Hydrocarbon Conversions

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Molecular Modeling In Heavy Hydrocarbon Conversions

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Author : Michael T. Klein
language : en
Publisher: CRC Press
Release Date : 2005-09-28

Molecular Modeling In Heavy Hydrocarbon Conversions written by Michael T. Klein and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-09-28 with Science categories.

In the past two decades, new modeling efforts have gradually incorporated more molecular and structural detail in response to environmental and technical interests. Molecular Modeling in Heavy Hydrocarbon Conversions introduces a systematic molecule-based modeling approach with a system of chemical engineering software tools that can automate the e

Molecular Modeling In Heavy Hydrocarbon Conversions

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Author : Michael T. Klein
language : en
Publisher: CRC Press
Release Date : 2005-09-28

Molecular Modeling In Heavy Hydrocarbon Conversions written by Michael T. Klein and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-09-28 with Science categories.

In the past two decades, new modeling efforts have gradually incorporated more molecular and structural detail in response to environmental and technical interests. Molecular Modeling in Heavy Hydrocarbon Conversions introduces a systematic molecule-based modeling approach with a system of chemical engineering software tools that can automate the entire model building, solution, and optimization process. Part I shows how chemical engineering principles provide a rigorous framework for the building, solution, and optimization of detailed kinetic models for delivery to process chemists and engineers. Part II presents illustrative examples that apply this approach to the development of kinetic models for complex process chemistries, such as heavy naphtha reforming and gas oil hydroprocessing. Molecular Modeling in Heavy Hydrocarbon Conversions develops the key tools and best possible approaches that process chemists and engineers can use to focus on the process chemistry and reaction kinetics for performing work that is repetitive or prone to human-error accurately and quickly.

Modeling Of Processes And Reactors For Upgrading Of Heavy Petroleum

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Author : Jorge Ancheyta
language : en
Publisher: CRC Press
Release Date : 2013-01-29

Modeling Of Processes And Reactors For Upgrading Of Heavy Petroleum written by Jorge Ancheyta and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-01-29 with Science categories.

The worldwide petroleum industry is facing a dilemma: the production level of heavy petroleum is higher than that of light petroleum. Heavy crude oils possess high amounts of impurities (sulfur, nitrogen, metals, and asphaltenes), as well as a high yield of residue with consequent low production of valuable distillates (gasoline and diesel). These

Structure And Modeling Of Complex Petroleum Mixtures

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Author : Chunming Xu
language : en
Publisher: Springer
Release Date : 2016-05-14

Structure And Modeling Of Complex Petroleum Mixtures written by Chunming Xu and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-05-14 with Science categories.

Chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience.

Mathematical Modelling Of Gas Phase Complex Reaction Systems Pyrolysis And Combustion

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Author :
language : en
Publisher: Elsevier
Release Date : 2019-06-06

Mathematical Modelling Of Gas Phase Complex Reaction Systems Pyrolysis And Combustion written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-06-06 with Technology & Engineering categories.

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

Petroleum Refinery Process Modeling

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Author : Y. A. Liu
language : en
Publisher: John Wiley & Sons
Release Date : 2018-02-09

Petroleum Refinery Process Modeling written by Y. A. Liu and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-02-09 with Technology & Engineering categories.

A comprehensive review of the theory and practice of the simulation and optimization of the petroleum refining processes Petroleum Refinery Process Modeling offers a thorough review of how to quantitatively model key refinery reaction and fractionation processes. The text introduces the basics of dealing with the thermodynamics and physical property predictions of hydrocarbon components in the context of process modeling. The authors - three experts on the topic - outline the procedures and include the key data required for building reaction and fractionation models with commercial software. The text shows how to filter through the extensive data available at the refinery and using plant data to begin calibrating available models and extend the models to include key fractionation sub-models. It provides a sound and informed basis to understand and exploit plant phenomena to improve yield, consistency, and performance. In addition, the authors offer information on applying models in an overall refinery context through refinery planning based on linear programming. This important resource: -Offers the basic information of thermodynamics and physical property predictions of hydrocarbon components in the context of process modeling -Uses the key concepts of fractionation lumps and physical properties to develop detailed models and workflows for atmospheric (CDU) and vacuum (VDU) distillation units -Discusses modeling FCC, catalytic reforming and hydroprocessing units Written for chemical engineers, process engineers, and engineers for measurement and control, this resource explores the advanced simulation tools and techniques that are available to support experienced and aid new operators and engineers.

Hydroprocessing Of Heavy Oils And Residua

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Author : Jorge Ancheyta
language : en
Publisher: CRC Press
Release Date : 2007-05-08

Hydroprocessing Of Heavy Oils And Residua written by Jorge Ancheyta and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-05-08 with Science categories.

Many oil refineries employ hydroprocessing for removing sulfur and other impurities from petroleum feedstocks. Capable of handling heavier feedstocks than other refining techniques, hydroprocessing enables refineries to produce higher quality products from unconventional- and formerly wasted- sources. Hydroprocessing of Heavy Oils and Residua

Advances In Fischer Tropsch Synthesis Catalysts And Catalysis

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Author : B. H. Davis
language : en
Publisher: CRC Press
Release Date : 2009-11-10

Advances In Fischer Tropsch Synthesis Catalysts And Catalysis written by B. H. Davis and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-11-10 with Science categories.

Rising oil costs have stimulated significant interest in the Fischer-Tropsch synthesis (FTS) as a method for producing a synthetic petroleum substitute. Drawn from the proceedings at a symposium held during the 236th meeting of the American Chemical Society in Philadelphia in August 2008, Advances in Fischer-Tropsch Synthesis, Catalysts, and Cataly

Refinery Engineering

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Author : Ai-Fu Chang
language : en
Publisher: John Wiley & Sons
Release Date : 2013-03-01

Refinery Engineering written by Ai-Fu Chang and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-01 with Technology & Engineering categories.

A pioneering and comprehensive introduction to the complex subject of integrated refinery process simulation, using many of the tools and techniques currently employed in modern refineries. Adopting a systematic and practical approach, the authors include the theory, case studies and hands-on workshops, explaining how to work with real data. As a result, senior-level undergraduate and graduate students, as well as industrial engineers learn how to develop and use the latest computer models for the predictive modeling and optimization of integrated refinery processes. Additional material is available online providing relevant spreadsheets and simulation files for all the models and examples presented in the book.

Transport Phenomena Fundamentals Second Edition

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Author : Joel L. Plawsky
language : en
Publisher: CRC Press
Release Date : 2009-09-24

Transport Phenomena Fundamentals Second Edition written by Joel L. Plawsky and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-09-24 with Science categories.

Although the practice of chemical engineering has broadened to encompass problems in a range of disciplines, including biology, biochemistry, and nanotechnology, one of the curriculum’s foundations is built upon the subject of transport phenomena. Transport Phenomena Fundamentals, Second Edition provides a unified treatment of heat, mass, and momentum transport based on a balance equation approach. Designed for a two-term course Used in a two-term transport phenomena sequence at Rensselaer Polytechnic Institute, this text streamlines the approach to how the subject is taught. The first part of the book takes students through the balance equation in the context of diffusive transport, be it momentum, energy, mass, or charge. Each chapter adds a term to the balance equation, highlighting the effects of that addition on the physical behavior of the system and the underlying mathematical description. The second half of the book builds upon the balance equation description of diffusive transport by introducing convective transport terms, focusing on partial rather than ordinary differential equations. The Navier–Stokes and convective transport equations are derived from balance equations in both macroscopic and microscopic forms. Includes examples and problems drawn from Comsol® software The second edition of this text is now enhanced by the use of finite element methods in the form of examples and extended homework problems. A series of example modules are associated with each chapter of the text. Some of the modules are used to produce examples in the text, and some are discussed in the homework at the end of each chapter. All of the modules are located online at an accompanying website which is designed to be a living component of the course. (available on the download tab)