Molecular modeling in heavy hydrocarbon conversions. (2006)

• Record Type: Book
• Further Information: Note: Michael T. Klein [and others].
• Other Names: Klein, Michael T
• Contents: Introduction; Motivation; Background; Modeling Approaches; Molecule-based Kinetic Modeling Strategy; The Premise; ; PART I METHODS; Molecular Structure and Composition Modeling of Complex Feedstocks; Introduction; Analytical Characterization of Complex Feedstocks; Molecular Structure Modeling: A Stochastic Approach; A Case Study: Light Gas Oil; Discussions And Summary; ; Automated Reaction Network Construction of Complex Process Chemistries; Introduction; Reaction Network Building and Control Techniques; Properties of Reaction Networks; Summary and Conclusions; ; Organizing Kinetic Model Parameters; Introduction; Rate Laws For Complex Reaction Networks; Overview of Linear Free Energy Relationships; Representative Results and Summary of Lfers for Catalytic Hydrocracking; Summary and Conclusions; ; Matching the Equation Solver to the Kinetic Model Type; Introduction; Mathematical Background; Experiments; Results and Discussion; Summary and Conclusions; ; Integration of Detailed Kinetic Modeling Tools and Model Delivery Technology; Introduction; Integration of Detailed Kinetic Modeling Tools; KMT Development and Model Delivery; Summary; ; PART II APPLICATIONS; Molecule-Based Kinetic Modeling of Naphtha Reforming; Introduction; Modeling Approach; Model Development; Automated Model Building; The Model For C14 Naphtha Reforming; Model Validation; Summary and Conclusions; ; Mechanistic Kinetic Modeling of Heavy Paraffin Hydrocracking; Introduction; Mechanistic Modeling Approach; Model Development; Model Results and Validation; Extension to C80 Model; Summary and Conclusions; ; Molecule-Based Kinetic Modeling of Naphtha Hydrotreating; Introduction; Modeling Approach; Model Development; Results and Discussion; Summary and Conclusions; ; Automated Kinetic Modeling of Gas Oil Hydroprocessing; Introduction; Modeling Approach; Model Development; Results and Discussion; Summary and Conclusions; ; Molecular Modeling of Fluid Catalytic Cracking; Introduction; Model Pruning Strategies For Mechanistic Modeling; Kinetics; Model Diagnostics and Results; Mechanistic Model Learning as a Basis for Pathways Level Modeling; Pathways Modeling; Summary and Conclusions; ; Automated Kinetic Modeling of Naphtha Pyrolysis; Introduction; Current Approach to Model Building; Pyrolysis Model Development; Reaction Network Diagnostics; Parameter Estimation; Summary And Conclusions; ; Summary and Conclusions
• Publisher Details: Boca Raton : CRC/Taylor & Francis
• Publication Date: 2006
• Extent: 1 online resource (237 pages), illustrations
• Subjects: 547/.01/0151; Hydrocarbons -- Mathematical models; Molecular structure -- Mathematical models; Chemical kinetics -- Data processing; SCIENCE -- Chemistry -- Organic; Chemical kinetics -- Data processing; Hydrocarbons -- Mathematical models; Molecular structure -- Mathematical models; Electronic books; Electronic books
• Languages: English
• ISBNs: 9781420030617; 1420030612
• Related ISBNs: 9780824758516; 082475851X
• Notes: Note: Includes bibliographical references and index.; Note: Print version record.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.