Applications Of Molecular Simulation In The Oil And Gas Industry

Author : Philippe Ungerer,Bernard Tavitian,Anne Boutin
Publisher : Editions TECHNIP
Page : 318 pages
File Size : 52,5 Mb
Release : 2005
Category : Business & Economics
ISBN : 2710808587

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Applications of Molecular Simulation in the Oil and Gas Industry by Philippe Ungerer,Bernard Tavitian,Anne Boutin Pdf

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.).Contents: 1. Introduction. 2. Basics of Molecular Simulation. 3. Fluid Phase Equilibria and Fluid Properties. 4. Adsorption. 5. Conclusion and Perspectives. Appendix

Author : Keith E. Gubbins,Nick Quirke
Publisher : Taylor & Francis
Page : 568 pages
File Size : 51,5 Mb
Release : 1996
Category : Molecules
ISBN : 9056990055

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Molecular Simulation and Industrial Applications by Keith E. Gubbins,Nick Quirke Pdf

First published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.

Author : Marc Meunier
Publisher : CRC Press
Page : 413 pages
File Size : 52,9 Mb
Release : 2016-04-19
Category : Science
ISBN : 9781439861028

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Industrial Applications of Molecular Simulations by Marc Meunier Pdf

The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly strong growth in East Asia. Looking to the futu

Author : Primož Potocnik
Publisher : BoD – Books on Demand
Page : 618 pages
File Size : 54,8 Mb
Release : 2010-08-18
Category : Technology & Engineering
ISBN : 9789533071121

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Natural Gas by Primož Potocnik Pdf

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.

Author : Lawrence J. Dunne,George Manos
Publisher : Springer Science & Business Media
Page : 301 pages
File Size : 44,6 Mb
Release : 2009-09-24
Category : Technology & Engineering
ISBN : 9789048124817

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Adsorption and Phase Behaviour in Nanochannels and Nanotubes by Lawrence J. Dunne,George Manos Pdf

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.

Author : Anonim
Publisher : Unknown
Page : 468 pages
File Size : 46,5 Mb
Release : 2009
Category : Liquid fuels
ISBN : STANFORD:36105132740684

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Oil & Gas Science and Technology by Anonim Pdf

Author : Gabriele Raabe
Publisher : Springer
Page : 306 pages
File Size : 50,8 Mb
Release : 2017-02-17
Category : Science
ISBN : 9789811035456

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Molecular Simulation Studies on Thermophysical Properties by Gabriele Raabe Pdf

This book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions to Monte Carlo and molecular dynamics simulation techniques. It also offers an overview of force-field models for molecular simulations and their parameterization, with a discussion of specific aspects. The book then summarizes the available know-how for analyzing molecular simulation outputs to derive information on thermophysical and structural properties. Both the force-field modeling and the analysis of simulation outputs are illustrated by various examples. Simulation studies on recently introduced HFO compounds as working fluids for different technical applications demonstrate the value of molecular simulations in providing predictions for poorly understood compounds and gaining a molecular-level understanding of their properties. This book will prove a valuable resource to researchers and students alike.

Author : Norma-Aurea Rangel-Vázquez
Publisher : CRC Press
Page : 183 pages
File Size : 49,7 Mb
Release : 2022-09-01
Category : Science
ISBN : 9781000795288

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Structural Analysis using Computational Chemistry by Norma-Aurea Rangel-Vázquez Pdf

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

Author : Jianchao Cai,Xiangyun Hu
Publisher : Elsevier
Page : 354 pages
File Size : 51,7 Mb
Release : 2019-01-24
Category : Business & Economics
ISBN : 9780128172896

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Petrophysical Characterization and Fluids Transport in Unconventional Reservoirs by Jianchao Cai,Xiangyun Hu Pdf

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

Author : Swapnali Hazarika,Achyut Konwar,G. Narahari Sastry
Publisher : CRC Press
Page : 291 pages
File Size : 53,6 Mb
Release : 2024-07-04
Category : Technology & Engineering
ISBN : 9781040049129

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Application of Membranes in the Petroleum Industry by Swapnali Hazarika,Achyut Konwar,G. Narahari Sastry Pdf

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.

Author : George E. Totten,Rafael Colas
Publisher : CRC Press
Page : 3918 pages
File Size : 47,5 Mb
Release : 2016-01-06
Category : Technology & Engineering
ISBN : 9781466511057

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Encyclopedia of Iron, Steel, and Their Alloys (Online Version) by George E. Totten,Rafael Colas Pdf

The first of many important works featured in CRC Press’ Metals and Alloys Encyclopedia Collection, the Encyclopedia of Iron, Steel, and Their Alloys covers all the fundamental, theoretical, and application-related aspects of the metallurgical science, engineering, and technology of iron, steel, and their alloys. This Five-Volume Set addresses topics such as extractive metallurgy, powder metallurgy and processing, physical metallurgy, production engineering, corrosion engineering, thermal processing, metalworking, welding, iron- and steelmaking, heat treating, rolling, casting, hot and cold forming, surface finishing and coating, crystallography, metallography, computational metallurgy, metal-matrix composites, intermetallics, nano- and micro-structured metals and alloys, nano- and micro-alloying effects, special steels, and mining. A valuable reference for materials scientists and engineers, chemists, manufacturers, miners, researchers, and students, this must-have encyclopedia: Provides extensive coverage of properties and recommended practices Includes a wealth of helpful charts, nomograms, and figures Contains cross referencing for quick and easy search Each entry is written by a subject-matter expert and reviewed by an international panel of renowned researchers from academia, government, and industry. Also Available Online This Taylor & Francis encyclopedia is also available through online subscription, offering a variety of extra benefits for researchers, students, and librarians, including: Citation tracking and alerts Active reference linking Saved searches and marked lists HTML and PDF format options Contact Taylor and Francis for more information or to inquire about subscription options and print/online combination packages. US: (Tel) 1.888.318.2367; (E-mail) [email protected] International: (Tel) +44 (0) 20 7017 6062; (E-mail) [email protected]

Author : Yongchen Song,Cong Chen,Wenfeng Hu
Publisher : Elsevier
Page : 544 pages
File Size : 41,7 Mb
Release : 2024-03-15
Category : Science
ISBN : 9780443217647

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Understanding Geologic Carbon Sequestration and Gas Hydrate from Molecular Simulation by Yongchen Song,Cong Chen,Wenfeng Hu Pdf

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

Author : Rouzbeh G. Moghanloo
Publisher : Gulf Professional Publishing
Page : 498 pages
File Size : 46,9 Mb
Release : 2022-02-23
Category : Science
ISBN : 9780323905299

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Unconventional Shale Gas Development by Rouzbeh G. Moghanloo Pdf

Unconventional Shale Gas Development: Lessons Learned gives engineers the latest research developments and practical applications in today’s operations. Comprised of both academic and corporate contributors, a balanced critical review on technologies utilized are covered. Environmental topics are presented, including produced water management and sustainable operations in gas systems. Machine learning applications, well integrity and economic challenges are also covered to get the engineer up-to-speed. With its critical elements, case studies, history plot visuals and flow charts, the book delivers a critical reference to get today’s petroleum engineers updated on the latest research and applications surrounding shale gas systems. Bridges the gap between the latest research developments and practical applications through case studies and workflow charts Helps readers understand the latest developments from the balanced viewpoint of academic and corporate contributors Considers environmental and sustainable operations in shale gas systems, including produced water management

Author : Richard J. Sadus
Publisher : Elsevier
Page : 644 pages
File Size : 50,9 Mb
Release : 2002-05-17
Category : Computers
ISBN : 0444510826

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Molecular Simulation of Fluids by Richard J. Sadus Pdf

The aim of this book is to examine some of the important aspects of recent progress in the use of molecular simulation for investigating fluids. It encompasses both Monte Carlo and molecular dynamic techniques providing details of theory, algorithms and implementation.

Author : Deepak Dwivedi,Amit Ranjan,Jitendra S. Sangwai
Publisher : CRC Press
Page : 265 pages
File Size : 43,9 Mb
Release : 2023-09-06
Category : Technology & Engineering
ISBN : 9781000933833

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Functional Materials for the Oil and Gas Industry by Deepak Dwivedi,Amit Ranjan,Jitendra S. Sangwai Pdf

Functional Materials for the Oil and Gas Industry: Characterization and Applications discusses the latest techniques in characterization and applications of functional materials in the oil and gas industry. It provides an expert review of recent developments in a variety of materials, such as ceramics, composites, and alloys, and covers all major aspects relevant to the industry, including asset management (corrosion), operation (pipeline engineering), energy management, and applications in extreme environments. This book: Discusses modern characterization techniques, such as in situ TEM, SAXS, SANS, X-ray, and neutron tomography Covers conventional and advanced nondestructive techniques (NDTs), such as ultrasonic testing and radiography for asset integrity checking in oil and gas sectors Describes advanced properties of a variety of functional materials and their applications to the oil and gas field Explains self-cleaning coating technologies and their applications and materials for renewable energy sources Details advances in synthesis methods for functional materials Features industrial aspects of afunctional materials application in each chapter Written for an interdisciplinary audience of industrial practitioners, academics, and researchers in petroleum, materials, chemical, and related disciplines of engineering, this work offers significant insight into the state-of-the-art in the development and characterization of advanced functional materials.