Molecular Modeling of Corrosion Processes


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




Molecular Modeling of Corrosion Processes


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




Computational Modelling and Simulations for Designing of Corrosion Inhibitors


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




Corrosion Mechanisms in Theory and Practice


Book Description

Called "a useful contribution to the current litereture on corrosion science, engineering, and technology" by Corrosion Review, this book offers real-world applications and problem-solving techniques to reduce the occurrence of pits, cracks, and deterioration in industrial, automotive, marine, and electronic structures. It details the electrochemic




Multiscale Modeling for Process Safety Applications


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




14th International Symposium on Process Systems Engineering


Book Description

14th International Symposium on Process Systems Engineering, Volume 49 brings together the international community of researchers and engineers interested in computing-based methods in process engineering. The conference highlights the contributions of the PSE community towards the sustainability of modern society and is based on the 2021 event held in Tokyo, Japan, July 1-23, 2021. It contains contributions from academia and industry, establishing the core products of PSE, defining the new and changing scope of our results, and covering future challenges. Plenary and keynote lectures discuss real-world challenges (globalization, energy, environment and health) and contribute to discussions on the widening scope of PSE versus the consolidation of the core topics of PSE. - Highlights how the Process Systems Engineering community contributes to the sustainability of modern society - Establishes the core products of Process Systems Engineering - Defines the future challenges of Process Systems Engineering




Oilfield Microbiology


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.




Recent Developments in Analytical Techniques for Corrosion Research


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.




Vappro Vbci the Solution for Corrosion Control


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




Recent Developments in Analytical Techniques for Corrosion Research


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. .