Molecular Modeling In Heavy Hydrocarbon Conversions

Download or read book Molecular Modeling in Heavy Hydrocarbon Conversions written by Michael T. Klein and published by CRC Press. This book was released on 2020-06-30 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Modeling in Heavy Hydrocarbon Conversions introduces and develops a systematic molecule-based modeling approach with a system of chemical engineering software tools. This book shows how chemical engineering principles provide a rigorous framework for the building, solution, and optimization of detailed kinetic models for delivery to proce

Download or read book Molecular Modeling in Heavy Hydrocarbon Conversions written by Michael T. Klein and published by CRC Press. This book was released on 2005-09-28 with total page 263 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book Modeling of Processes and Reactors for Upgrading of Heavy Petroleum written by Jorge Ancheyta and published by CRC Press. This book was released on 2013-01-29 with total page 551 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion written by and published by Elsevier. This book was released on 2019-06-06 with total page 1036 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book Petroleum Refinery Process Modeling written by Y. A. Liu and published by John Wiley & Sons. This book was released on 2018-02-09 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Digitalization and Analytics for Smart Plant Performance written by Frank (Xin X.) Zhu and published by John Wiley & Sons. This book was released on 2021-04-06 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book addresses the topic of integrated digitization of plants on an objective basis and in a holistic manner by sharing data, applying analytics tools and integrating workflows via pertinent examples from industry. It begins with an evaluation of current performance management practices and an overview of the need for a "Connected Plant" via digitalization followed by sections on "Connected Assets: Improve Reliability and Utilization," "Connected Processes: Optimize Performance and Economic Margin " and "Connected People: Digitalizing the Workforce and Workflows and Developing Ownership and Digital Culture," then culminating in a final section entitled "Putting All Together Into an Intelligent Digital Twin Platform for Smart Operations and Demonstrated by Application cases."

Download or read book Structure and Modeling of Complex Petroleum Mixtures written by Chunming Xu and published by Springer. This book was released on 2016-05-14 with total page 187 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.