Download or read book Molecular Modeling of Corrosion Processes written by Christopher D. Taylor and published by John Wiley & Sons. This book was released on 2015-05-26 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Molecular Modeling of Corrosion Processes written by Christopher D. Taylor and published by John Wiley & Sons. This book was released on 2015-04-27 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Molecular Modelling Quantum Chemical Studies and Corrosion Inhibitors written by Ahmed Chetouani and published by LAP Lambert Academic Publishing. This book was released on 2013 with total page 176 pages. Available in PDF, EPUB and Kindle. Book excerpt: The corrosion is an (unwanted) reaction of materials with substances present in their environment. In the case of iron this reaction becomes visible for instance when rust forms. The reasons for this corrosion are diverse and are covered very extensively in the literature. The study of corrosion processes and their inhibition by organic inhibitors is a very active field of research. The presence of actives centres in the molecular structure has a major effect on the inhibition efficiency and consequently on the phenomenon of adsorption on some metals surface. The inhibition effect mainly depends on some physicochemical and electronic properties of the inhibitor which relate to its functional groups, steric effects, electronic density of donor atoms, and orbital character of donating electrons. Corrosion inhibition of has been elucidated by means of theory DFT-derived reactivity indexes. The calculated quantum chemical parameters have already proven to be very useful in determining the molecular structure as well as elucidating the electronic structure and reactivity. Thus, it has become a common practice to carry out quantum chemical calculations in corrosion inhibition studies.
Download or read book Computational Modelling and Simulations for Designing of Corrosion Inhibitors written by Dakeshwar Kumar Verma and published by Elsevier. This book was released on 2023-04-19 with total page 566 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Applications of the Effectiveness of Corrosion Inhibitors with Computational Methods and Molecular Dynamics Simulation written by Burak T√oz√on and published by . This book was released on 2019 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Many experts working in the field of corrosion work in laboratories experimentally with long-term procedures and high costs by making changes in the structures of new corrosion inhibitors or existing inhibitors. Advances in computational chemistry and computer software in recent years combine corrosion prevention studies with theoretical chemistry, enabling fast, cheap and highly accurate research. Researchers working in this field can now predict the electronic, molecular and adsorption properties of anti-corrosion molecules at the molecular level with density functional theory (DFT) and Molecular Dynamics Simulation. This section includes: introduction, corrosion mechanisms, introduction to corrosion inhibitors, density functional theory (DFT) and corrosion applications, Molecular Dynamics Simulation, DFT and Molecular Dynamics Simulation applications of the effectiveness of the selected corrosion inhibitor and results. The theoretical data obtained by both the DFT approach and the molecular dynamics simulation approach showed that the corrosion inhibition efficiency order against iron corrosion for the studied Schiff bases and derivatives can be presented as: DBAMTT> SAMTT> AMTT. HOMO energy value of DBAMTT has ,àí8,18144, HOMO energy value of SAMTT has ,àí8,09001, and AMTT has ,àí8,01518 in HF/6,Äì31++G** basis set.
Download or read book Recent Developments in Analytical Techniques for Corrosion Research written by Ihsan ulhaq Toor and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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. .
Download or read book Multiscale Modeling for Process Safety Applications written by Arnab Chakrabarty and published by Butterworth-Heinemann. This book was released on 2015-11-29 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Oilfield Microbiology written by Torben Lund Skovhus and published by CRC Press. This book was released on 2019-03-29 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Recent Developments in Analytical Techniques for Corrosion Research written by Ihsan ulhaq Toor and published by Springer Nature. This book was released on 2022-01-04 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Surface Chemistry of Aqueous Corrosion Processes written by E. McCafferty and published by Springer. This book was released on 2015-02-17 with total page 96 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Vappro Vbci the Solution for Corrosion Control written by Dr. Nelson Cheng PhD and published by Partridge Publishing Singapore. This book was released on 2020-12-10 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Handbook of Science Engineering of Green Corrosion Inhibitors written by Chandrabhan Verma and published by Elsevier. This book was released on 2021-12-01 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book Electrochemical Atomic Force Microscopy and Spectroscopic Characterization of Amphiphilic Surfactant Molecules as Corrosion Inhibitors written by Huiru Wang and published by . This book was released on 2023 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Effective management of pipeline steel corrosion is crucial for asset integrity, CAPEX/OPEX optimization, employee safety and environmental protection for the oil and gas industry. Organic inhibitors, especially of amphiphilic surfactant types, can efficiently reduce corrosion rates when added in small amounts to pipeline transmission systems. Electrochemical methods such as linear polarization resistance, electrochemical impedance spectra, and polarization curves have been adopted extensively to investigate corrosion reaction processes under inhibition, with surface analysis techniques usually playing insignificant roles and only providing elementary information without deeper analyses relating to inhibitor adsorption studies. However, the function of amphiphilic inhibitors depends on their adsorption on the metal surface. Traditional electrochemical measurements cannot usually provide direct information regarding inhibitor adsorption behavior. Therefore, a crucial knowledge gap exists in the fundamental understanding of inhibitor adsorption modes and corrosion inhibition mechanisms, due to the limited application of surface analysis techniques in corrosion inhibitor studies. Given its high resolution, a powerful surface characterization tool with multiple operation modes and good performance in aqueous solution, atomic force microscopy (AFM) has been widely used in surfactant studies for various inert substrates such asmica, graphite, and the noble metal gold. However, AFM has not often been used in with corrosion inhibitor studies involving mild steels. In the few studies AFM was used only to do straightforward surface roughness comparisons and provide some supplementary corrosion morphology evidence. In contrast to these previously reported inhibitor studies, the research reported in this dissertation will show how AFM can be used much more effectively as a main technique for improving the mechanistic understanding of the inhibition behavior of amphiphilic inhibitors adsorbed on a mild steel surface. Multiple AFM operation modes and imaging techniques were developed to systematically investigate the adsorption mechanism and corrosion inhibition mechanism of a quaternary ammonium inhibitor on a UNS G1018 steel. Finally, another two advanced high resolution surface chemistry analysis techniques, Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) and X-ray Photoelectron Spectroscopy (XPS) were adopted to identify inhibitor adsorption properties as well as electrochemical reaction mechanisms, and compared with AFM findings. The findings in the present study indicate a relationship between adsorption morphology and inhibitor concentrations, as well as verified the existence of surface saturation concentration (SSC) found in electrochemical tests. The AFM findings suggest that adsorbed inhibitor molecules formed a continuous film with multiple defect areas when added above the SSC. This can provide an answer for the long standing research question as to why the inhibition efficiency does not reach 100% even when inhibitor concentration is higher than SSC, and is important in terms of developing corrosion prediction models. Meanwhile, the present work found the inhibitor adsorptionmorphology evolves from discontinuous aggregates, then non-uniform film with large defects, finally to a uniform film with defects when the bulk inhibitor concentration varies from low to high. The corresponding corrosion morphology evolves from uniform corrosion at a high rate, patchy corrosion, and full protection respectively, as demonstrated by electrochemical atomic force microscopy (EC-AFM). This AFM finding can be used to connect the inhibitor adsorption isotherm (surface coverage versus inhibitor concentration) with the actual surface corrosion processes, and builds a bridge between adsorption and corrosion studies. Furthermore, the present AFM work suggests that the mild steel microstructures could influence inhibitor adsorption, specifically how inhibitor is adsorbed on cementite structure that could be more easily removed by flow, than on ferrite structures. This is significant as inhibition efficiency often decreases as the carbon content of the steel increases. Finally, the ToF-SIMS and XPS work verified the relationship between adsorption, corrosion and inhibitor concentration elucidated by AFM, and further determined the inhibitor adsorption types and surface layer structures based on the composition analysis from top surface to steel substrate depth. By these findings, a fundamental understanding of the relationship between inhibitor chemical structure, molecular orientations during adsorption, and corrosion inhibition efficiency at various inhibitor concentrations and immersion times has been built, which ca be of great significance for choosing proper inhibitors for specific environments or even design of new inhibitors. Moreover, a surface analysis methodology for studying the interface between amphiphilic inhibitors and mild steel is developed on the basis of the AFM technique. This AFM methodology has beencombined with surface chemistry analysis, molecular simulation, and electrochemistry to provide comprehensive information regarding corrosion inhibition mechanisms
Download or read book Green Corrosion Inhibitors written by V. S. Sastri and published by John Wiley & Sons. This book was released on 2012-02-14 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt: A book to cover developments in corrosion inhibitors is long overdue. This has been addressed by Dr Sastri in a book which presents fundamental aspects of corrosion inhibition, historical developments and the industrial applications of inhibitors. The book deals with the electrochemical principles and chemical aspects of corrosion inhibition, such as stability of metal complexes, the Hammett equation, hard and soft acid and base principle, quantum chemical aspects and Hansch' s model and also with the various surface analysis techniques, e.g. XPS, Auger, SIMS and Raman spectroscopy, that are used in industry for corrosion inhibition. The applications of corrosion inhibition are wide ranging. Examples given in this book include: oil and gas wells, petrochemical plants, steel reinforced cement, water cooling systems, and many more. The final chapters discuss economic and environmental considerations which are now of prime importance. The book is written for researchers in academia and industry, practicing corrosion engineers and students of materials science, engineering and applied chemistry.
Download or read book Heterocyclic Organic Corrosion Inhibitors written by Mumtaz A. Quraishi and published by Elsevier. This book was released on 2020-03-07 with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt: Heterocyclic Organic Corrosion Inhibitors: Principles and Applications aims to comprehend the synthesis and application of organic heterocyclic compounds as corrosion inhibitors in various corrosive environments. Considering the high importance of corrosion inhibitor development for different industries, the book provides the fundamentals and most recent advancements in this field. The book is an indispensable reference tool for industrialists and academicians working in the field of corrosion protection. Provides a systematic overview of fundamentals and current advancements Acts as a primary reference for beginner researchers in this arena Presents a handy reference tool to different chemical industries Covers fundamentals, industrial applications and most recent advancements in this area
Download or read book New Challenges and Industrial Applications for Corrosion Prevention and Control written by El Kacimi, Younes and published by IGI Global. This book was released on 2020-06-12 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metals are used at an extremely high rate in the industrial and manufacturing fields. Exemplary properties including strength and ductility have made this material highly dynamic; however, the risk of corrosion remains a vital issue. The study of corrosion prevention has attracted interest from researchers and professionals as new technologies are emerging that can assist in the prevention of material destruction. However, research is lacking on the application of these protective technologies within specific fields. New Challenges and Industrial Applications for Corrosion Prevention and Control provides emerging research exploring the theoretical and practical aspects of protective methods against corrosion and the implementation of these techniques within a wide span of professional disciplines. Featuring coverage on a broad range of topics such as molecular modeling, surface treatments, and biomaterials, this book is ideally designed for engineers, industrial chemists, material scientists, researchers, engineers, academicians, practitioners, and students seeking current research on the technological advancements in corrosion protection in various professional scopes.
Download or read book Handbook of Research on Corrosion Sciences and Engineering written by El Kacimi, Younes and published by IGI Global. This book was released on 2023-05-09 with total page 706 pages. Available in PDF, EPUB and Kindle. Book excerpt: The climate change crisis presents a multi-dimensional challenge to the development of the built environment. With finite global resources and increasingly unpredictable climate patterns, the need to improve our understanding of sustainable practices and materials for construction has never been more pressing. The Handbook of Research on Corrosion Sciences and Engineering aims to shed light on the recent developments in the usage of sustainable materials to protect metallic materials against corrosion and provides emerging research exploring the theoretical and practical aspects of corrosion engineering science and technology. Covering key topics such as machine learning, smart coating, sustainability, and artificial intelligence, this major reference work is ideal for construction workers, industry professionals, researchers, academicians, scholars, practitioners, instructors, and students.
