Applications Of Molecular Simulation In The Oil And Gas Industry
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Applications Of Molecular Simulation In The Oil And Gas Industry
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Author : Philippe Ungerer
language : en
Publisher: Editions TECHNIP
Release Date : 2005
Applications Of Molecular Simulation In The Oil And Gas Industry written by Philippe Ungerer and has been published by Editions TECHNIP this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005 with Business & Economics categories.
Molecular simulation is an emerging technology for determining the properties of many systems that are of interest to the oil and gas industry, and more generally to the chemical industry. Based on a universally accepted theoretical background, molecular simulation accounts for the precise structure of molecules in evaluating their interactions. Taking advantage of the availability of powerful computers at moderate cost, molecular simulation is now providing reliable predictions in many cases where classical methods (such as equations of state or group contribution methods) have limited prediction capabilities. This is particularly useful for designing processes involving toxic components, extreme pressure conditions, or adsorption selectivity in microporous adsorbents. Molecular simulation moreover provides a detailed understanding of system behaviour. As illustrated by their award from the American Institute of Chemical Engineers for the best overall performance at the Fluid Simulation Challenge 2004, the authors are recognized experts in Monte Carlo simulation techniques, which they use to address equilibrium properties. This book presents these techniques in sufficient detail for readers to understand how simulation works, and describes many applications for industrially relevant problems. The book is primarily dedicated to chemical engineers who are not yet conversant with molecular simulation techniques. In addition, specialists in molecular simulation will be interested in the large scope of applications presented (including fluid properties, fluid phase equilibria, adsorption in zeolites, etc.).
Application Of Membranes In The Petroleum Industry
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Author : Swapnali Hazarika
language : en
Publisher: CRC Press
Release Date : 2024-07-04
Application Of Membranes In The Petroleum Industry written by Swapnali Hazarika and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-07-04 with Technology & Engineering categories.
This book focuses on the advantageous features of membrane technology in petroleum industries, with an emphasis on membrane materials and the application of membranes in the separation of olefin–paraffin, oil–water, aliphatic–aromatics, heavy metals, etc., along with other applications like waste management, sulphur emission, enhanced oil recovery and so forth. It also discusses the design and development of membranes from novel materials, the challenges of new materials for membrane applications, membrane-based processes and the application of novel membrane-based processes in the petroleum industry. Features: Addresses the fundamental applications of membranes in petroleum industrial separation processes Highlights the role of membrane technology in waste management in petroleum industries Includes novel engineered membrane materials Discusses methods of extracting valuable substances from produced water and membrane fouling control Emphasises solving industrial problems pertinent to membrane usage This book is aimed at researchers and graduate students in chemical and petroleum engineering and membrane technology.
Structural Analysis Using Computational Chemistry
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Author : Norma-Aurea Rangel-Vázquez
language : en
Publisher: CRC Press
Release Date : 2022-09-01
Structural Analysis Using Computational Chemistry written by Norma-Aurea Rangel-Vázquez and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-09-01 with Science categories.
Computational chemistry is a science that allows researchers to study, characterize and predict the structure and stability of chemical systems. In other words: studying energy differences between different states to explain spectroscopic properties and reaction mechanisms at the atomic level. This field is gaining in relevance and strength due to field applications from chemical engineering, electrical engineering, electronics, biomedicine, biology, materials science, to name but a few. Structural Analysis using Computational Chemistry arises from the need to present the progress of computational chemistry in various application areas. Technical topics discussed in the book include: • Quantum mechanics and structural molecular study (AM1)• Application of quantum models in molecular analysis• Molecular analysis of insulin through controlled adsorption in hydrogels based on chitosan• Analysis and molecular characterization of organic materials for application in solar cells• Determination of thermodynamic properties of ionic liquids through molecular simulation
Natural Gas
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Author : Primož Potocnik
language : en
Publisher: BoD – Books on Demand
Release Date : 2010-08-18
Natural Gas written by Primož Potocnik and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-08-18 with Technology & Engineering categories.
The contributions in this book present an overview of cutting edge research on natural gas which is a vital component of world's supply of energy. Natural gas is a combustible mixture of hydrocarbon gases, primarily methane but also heavier gaseous hydrocarbons such as ethane, propane and butane. Unlike other fossil fuels, natural gas is clean burning and emits lower levels of potentially harmful by-products into the air. Therefore, it is considered as one of the cleanest, safest, and most useful of all energy sources applied in variety of residential, commercial and industrial fields. The book is organized in 25 chapters that cover various aspects of natural gas research: technology, applications, forecasting, numerical simulations, transport and risk assessment.
Oil Gas Science And Technology
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Author :
language : en
Publisher:
Release Date : 2009
Oil Gas Science And Technology written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009 with Liquid fuels categories.
Adsorption And Phase Behaviour In Nanochannels And Nanotubes
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Author : Lawrence J. Dunne
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-09-24
Adsorption And Phase Behaviour In Nanochannels And Nanotubes written by Lawrence J. Dunne and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-09-24 with Technology & Engineering categories.
Channels of nanotubular dimensions exist in a variety of materials (examples are carbon nanotubes and the nanotubular channels of zeolites and zeotypes) and show promise for numerous applications due to their unique properties. One of their most important properties is their capacity to adsorb molecules and these may exist in a variety of phases. "Adsorption and Phase Behaviour in Nanochannels and Nanotubes" provides an excellent review of recent and current work on adsorption on nanometerials. It is an impressive collection of papers dealing with the adsorption and phase behaviour in nanoporous materials from both experimental and theoretical perspectives. "Adsorption and Phase Behaviour in Nanochannels and Nanotubes" focuses on carbon nanotubes as well as zeolites and related materials.
Petrophysical Characterization And Fluids Transport In Unconventional Reservoirs
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Author : Jianchao Cai
language : en
Publisher: Elsevier
Release Date : 2019-01-24
Petrophysical Characterization And Fluids Transport In Unconventional Reservoirs written by Jianchao Cai and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-01-24 with Technology & Engineering categories.
Petrophysical Characterization and Fluids Transport in Unconventional Reservoirs presents a comprehensive look at these new methods and technologies for the petrophysical characterization of unconventional reservoirs, including recent theoretical advances and modeling on fluids transport in unconventional reservoirs. The book is a valuable tool for geoscientists and engineers working in academia and industry. Many novel technologies and approaches, including petrophysics, multi-scale modelling, rock reconstruction and upscaling approaches are discussed, along with the challenge of the development of unconventional reservoirs and the mechanism of multi-phase/multi-scale flow and transport in these structures. - Includes both practical and theoretical research for the characterization of unconventional reservoirs - Covers the basic approaches and mechanisms for enhanced recovery techniques in unconventional reservoirs - Presents the latest research in the fluid transport processes in unconventional reservoirs
Understanding Geologic Carbon Sequestration And Gas Hydrate From Molecular Simulation
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Author : Yongchen Song
language : en
Publisher: Elsevier
Release Date : 2024-03-09
Understanding Geologic Carbon Sequestration And Gas Hydrate From Molecular Simulation written by Yongchen Song and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-03-09 with Science categories.
The development, storage and comprehensive utilization of energy is an important subject concerned by scientists all over the world. Carbon capture and storage technology is one of the most effective mitigation technologies for global climate change, accurate understanding of the migration of multiphase fluids in reservoirs is crucial for reservoir stock evaluation and safety evaluation. Understanding Carbon Geologic Sequestration and Gas Hydrate from Molecular Simulation systematically introduces CO2 geological sequestration and gas hydrate at the molecular-scale, with research including interfacial properties of multiphase, multicomponent systems, hydrogen bonding properties, adsorption characteristics of CO2 / CH4 in the pore, kinetic properties of decomposition/nucleation/growth of gas hydrate, the influence of additives on gas hydrate growth dynamics, and hydrate prevention and control technology. This book focuses on research-based achievements and provides a comprehensive look at global progress in the field. Because there are limited resources available on carbon geologic sequestration technology and gas hydrate technology at the molecular level, the authors wrote this book to fill a gap in scientific literature and prompt further research. - Distills learnings for fundamental and advanced knowledge of molecular simulation in carbon dioxide and gas hydrate storage - Synthesizes knowledge about the development status of CGS technology and hydrate technology in the molecular field – tackling these technologies from a microscopic perspective - Analyzes scientific problems related to CGS technology and hydrate technology based on molecular simulation methods - Explores challenges relative to carbon dioxide and hydrate storage - Provides hierarchical analysis combined with the authors' own research-based case studies for enhanced comprehension and application
Conceptual Density Functional Theory And Its Application In The Chemical Domain
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Author : Nazmul Islam
language : en
Publisher: CRC Press
Release Date : 2018-06-13
Conceptual Density Functional Theory And Its Application In The Chemical Domain written by Nazmul Islam and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-06-13 with Mathematics categories.
In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It also includes discussion of some applications in corrosion and conductivity and synthesis studies based on CDFT. The electronic structure principles—such as the electronegativity equalization principle, the hardness equalization principle, the electrophilicity equalization principle, and the nucleophilicity equalization principle, along studies based on these electronic structure principles—are broadly explained. In recent years some novel methodologies have been developed in the field of CDFT. These methodologies have been used to explore mutual relationships between the descriptors of CDFT, namely electronegativity, hardness, etc. The mutual relationship between the electronegativity and the hardness depend on the electronic configuration of the neutral atomic species. The volume attempts to cover almost all such methodology. Conceptual Density Function Theory and Its Application in the Chemical Domain will be an appropriate guide for research students as well as the supervisors in PhD programs. It will also be valuable resource for inorganic chemists, physical chemists, and quantum chemists. The reviews, research articles, short communications, etc., covered by this book will be appreciated by theoreticians as well as experimentalists.
Design And Applications Of Self Assembly Aggregates From Micelles To Nanoemulsions
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Author : Juan Mejuto
language : en
Publisher: BoD – Books on Demand
Release Date : 2024-10-23
Design And Applications Of Self Assembly Aggregates From Micelles To Nanoemulsions written by Juan Mejuto and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-23 with Science categories.
Self-assembled colloidal aggregates are made up of nano- or micrometer-sized particles dispersed in a continuous phase that organize into ordered structures due to intrinsic physical and chemical interactions, like electrostatic forces, hydrophobic/hydrophilic interactions, Van der Waals forces, and hydrogen bonds. These systems are stable and form a wide variety of structures, including micelles, vesicles, liquid crystals, and emulsions. Their ability to create sophisticated materials makes them valuable in various fields, including materials science, pharmacology, biotechnology, medicine, food technology, and cosmetics Despite their advantages, challenges remain in achieving precise control over the self-assembly process. Design and Applications of Self-Assembly Aggregates - From Micelles to Nanoemulsions is a collaborative effort by different authors, exploring research on these microheterogeneous systems and their diverse applications.