Molecular Modeling of Corrosion Processes PDF Download

Author: Christopher D. Taylor
Publisher: John Wiley & Sons
ISBN: 1118266153
Category : Science
Languages : en
Pages : 276

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Book Description
Presents opportunities for making significant improvements in preventing harmful effects that can be caused by corrosion Describes concepts of molecular modeling in the context of materials corrosion Includes recent examples of applications of molecular modeling to corrosion phenomena throughout the text Details how molecular modeling can give insights into the multitude of interconnected and complex processes that comprise the corrosion of metals Covered applications include diffusion and electron transfer at metal/electrolyte interfaces, Monte Carlo simulations of corrosion, corrosion inhibition, interrogating surface chemistry, and properties of passive films Presents current challenges and likely developments in this field for the future

Author: Dakeshwar Kumar Verma
Publisher: Elsevier
ISBN: 0323951627
Category : Technology & Engineering
Languages : en
Pages : 566

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Book Description
Computational Modeling and Simulations for Designing of Corrosion Inhibitors: Fundamentals and Realistic Applications offers a collection of major advancements in the field of computational modeling for the design and testing of corrosion inhibition effectiveness of organic corrosion inhibitors. This guide presents the latest developments in molecular modeling of organic compounds using computational software, which has emerged as a powerful approach for theoretical determination of corrosion inhibition potentials of organic compounds. The book covers common techniques involved in theoretical studies of corrosion inhibition potentials, and mechanisms such as density functional theory, molecular dynamics, Monte Carlo simulations, artificial neural networks, and quantitative structure-activity relationship. Covers basic, fundamental principles, advantages, parameters, and applications of computational and molecular modeling for designing potential corrosion inhibitors for metals and alloys Describes advancements of computational modeling for the design of organic corrosion inhibitors and applications in electrochemical engineering and materials science Focuses on the most advanced applications in industry-oriented fields, including current challenges Includes websites of interest and information about the latest research

Author: Ihsan ulhaq Toor
Publisher: Springer Nature
ISBN: 3030891011
Category : Technology & Engineering
Languages : en
Pages : 304

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Book Description
This book covers a wide range of advanced analytical tools, from electrochemical to in-situ/ex-situ material characterization techniques, as well as the modeling of corrosion systems to foster understanding and prediction. When used properly, these tools can enrich our understanding of material performance (metallic materials, coatings, inhibitors) in various environments/contexts (aqueous corrosion, high-temperature corrosion). The book encourages researchers to develop new corrosion-resistant materials and supports them in devising suitable asset integrity strategies. Offering a valuable resource for researchers, industry professionals, and graduate students alike, the book shows them how to apply these valuable analytical tools in their work.

Author: R. G. Kelly
Publisher: The Electrochemical Society
ISBN: 1566776155
Category : Science
Languages : en
Pages : 63

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Book Description
The papers included in this issue of ECS Transactions were originally presented in the symposium ¿Modeling and Simulation of Dissolution and Corrosion Processes¿, held during the 212th meeting of The Electrochemical Society, in Washington, DC, from October 7 to 12, 2007.

Author: Arnab Chakrabarty
Publisher: Butterworth-Heinemann
ISBN: 0123972833
Category : Technology & Engineering
Languages : en
Pages : 446

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Book Description
Multiscale Modeling for Process Safety Applications is a new reference demonstrating the implementation of multiscale modeling techniques on process safety applications. It is a valuable resource for readers interested in theoretical simulations and/or computer simulations of hazardous scenarios. As multi-scale modeling is a computational technique for solving problems involving multiple scales, such as how a flammable vapor cloud might behave if ignited, this book provides information on the fundamental topics of toxic, fire, and air explosion modeling, as well as modeling jet and pool fires using computational fluid dynamics. The book goes on to cover nanomaterial toxicity, QPSR analysis on relation of chemical structure to flash point, molecular structure and burning velocity, first principle studies of reactive chemicals, water and air reactive chemicals, and dust explosions. Chemical and process safety professionals, as well as faculty and graduate researchers, will benefit from the detailed coverage provided in this book. Provides the only comprehensive source addressing the use of multiscale modeling in the context of process safety Bridges multiscale modeling with process safety, enabling the reader to understand mapping between problem detail and effective usage of resources Presents an overall picture of addressing safety problems in all levels of modeling and the latest approaches to each in the field Features worked out examples, case studies, and a question bank to aid understanding and involvement for the reader

Author: Torben Lund Skovhus
Publisher: CRC Press
ISBN: 135167496X
Category : Science
Languages : en
Pages : 308

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Book Description
Microorganisms can be both beneficial and harmful to the oil and gas industry and therefore there is an increasing need for the oil industry to characterize, quantify and monitor microbial communities in real time. Oilfield Microbiology offers a fundamental insight into how molecular microbiological methods have enabled researchers in the field to analyze and quantify in situ microbial communities and their activities in response to changing environmental conditions. Such information is fundamental to the oil industry to employ more directed, cost-effective strategies to prevent the major problems associated with deleterious microbial activities (e.g., souring and biocorrosion), as well as to encourage beneficial microbe activity (e.g. oil bioremediation). The aim of the book is to understand how the technological advances in molecular microbiological methods over the last two decades are now being utilized by the oil industry to address the key issues faced by the sector. This book contains a comprehensive collection of chapters written by invited experts in the field from academia and industry and provides a solid foundation of the importance of microbes to the oil and gas industry. It is aimed at microbial ecologists, molecular biologists, operators, engineers, chemists, and academics involved in the sector.

Author: Dr. Nelson Cheng PhD
Publisher: Partridge Publishing Singapore
ISBN: 1543762182
Category : Reference
Languages : en
Pages : 226

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Book Description
The global economic cost from corrosion is estimated to be more than US$2.5 trillion, or equivalent to 3.4% of the global GDP. Corrosion costs the U.S. economy close to $300 billion per annum. About 100 billion dollars these costs could be remediated by application of corrosion-resistant materials and the use of corrosion-related technical practices such as corrosion inhibitors. A corrosion inhibitor is a chemical compound that, when added to a liquid or gas, decreases the corrosion rate of a metal, or its alloy that comes into contact with the fluid or vapour. These chemicals are both organic and inorganic compounds, which generally form a protective layer on the metal surface. Some corrosion inhibitors contain heavy metals are harmful to human health, toxic to plants, environments, and animals. They also have adverse effect on the ecology of the receiving environment and on surface and ground water quality. This book focuses on the use of Vappro VBCI Corrosion Inhibitors which are biodegradable, less toxic, and environmentally friendly. The authors believe in creating a cleaner, greener, and better tomorrow for our children and children’s children. Lead Authors Dr Benjamin Valdez Salas Dr Nelson Cheng PhD (honoris causa) Patrick Moe BSc, MSc, Grad Diploma

Author: National Research Council
Publisher: National Academies Press
ISBN: 0309162866
Category : Technology & Engineering
Languages : en
Pages : 192

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Book Description
The field of corrosion science and engineering is on the threshold of important advances. Advances in lifetime prediction and technological solutions, as enabled by the convergence of experimental and computational length and timescales and powerful new modeling techniques, are allowing the development of rigorous, mechanistically based models from observations and physical laws. Despite considerable progress in the integration of materials by design into engineering development of products, corrosion considerations are typically missing from such constructs. Similarly, condition monitoring and remaining life prediction (prognosis) do not at present incorporate corrosion factors. Great opportunities exist to use the framework of these materials design and engineering tools to stimulate corrosion research and development to achieve quantitative life prediction, to incorporate state-of-the-art sensing approaches into experimentation and materials architectures, and to introduce environmental degradation factors into these capabilities. Research Opportunities in Corrosion Science and Engineering identifies grand challenges for the corrosion research community, highlights research opportunities in corrosion science and engineering, and posits a national strategy for corrosion research. It is a logical and necessary complement to the recently published book, Assessment of Corrosion Education, which emphasized that technical education must be supported by academic, industrial, and government research. Although the present report focuses on the government role, this emphasis does not diminish the role of industry or academia.

Author: Chandrabhan Verma
Publisher: Elsevier
ISBN: 032390713X
Category : Technology & Engineering
Languages : en
Pages : 286

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Book Description
Handbook of Science and Engineering of Green Corrosion Inhibitors wraps up new developments in green corrosion inhibitors and their current applications. The book provides a comprehensive overview of green corrosion inhibitors such as plant extracts, chemical medicines, natural polymers, synthetic green compounds, carbohydrates, amino acids, oleochemicals etc. that can cost-effectively minimize corrosive damage. It handles several green compounds that are used as anticorrosive materials for different metals and alloys in a versatile corrosive environment. Handbook of Science and Engineering of Green Corrosion Inhibitors addresses fundamental characteristics of green corrosion inhibition. It deals with the economic impact of corrosion, forms of corrosion and its assessment and classification of corrosion inhibitors. The book covers a broad range of applications in green corrosion inhibition and concludes with new emerging trends in corrosion protection such as high temperature corrosion and its protection and nanomaterials as corrosion inhibitors. Provides an overview of environmentally sustainable (green) corrosion inhibitors utilized in modern industrial platforms Evaluates corrosion inhibitors as prime option for sustainable and transformational opportunities Serves as a valuable reference for scientists and engineers who are searching modern design for corrosion inhibitors Covers both synthetic and natural environmental-friendly corrosion inhibitors

Author: E. McCafferty
Publisher: Springer
ISBN: 3319156489
Category : Science
Languages : en
Pages : 89

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Book Description
This SpringerBrief utilizes a surface chemistry/physical chemistry approach toward the study of aqueous corrosion processes. The book starts with a timely and in-depth review of Acid-Base Properties of Surface Oxide Films. Acid-base properties are significant in various surface phenomena such as general and localized corrosion, corrosion inhibition by organic molecules, and the adhesion of organic polymers to oxide-covered metals. This review also discusses the relationship between the two measures of surface charge, the isoelectric point of the oxide film and the potential of zero charge of the oxide-covered metal. Other topics included are capillarity and corrosion, corrosion inhibition, passivity of Fe-Cr and Fe-Cr-Ni alloys, the uptake of chloride Ions and the pitting of aluminum, and the formation of water films on the iron oxide surface.