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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.

Corrosion and anti-corrosives. --- Anti-corrosive paint --- Atmospheric corrosion --- Metal corrosion --- Metals --- Rust --- Rustless coatings --- Chemical inhibitors --- Chemistry, Technical --- Fouling --- Materials --- Weathering --- Paint --- Protective coatings --- Waterproofing --- Corrosion --- Deterioration --- Surfaces --- Corrosion and anti-corrosives --- Computer simulation. --- Mathematical models.

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The book aims to highlight the application of microbial electrochemical technologies, their fundamental to advanced, recent applications, management strategies, and relevant case studies. The book also attempts to highlight existing research and technological advancements on all facets of instruments and methods for assessing and keeping track of water contaminants. The section on current trends and advancements in this book discusses the most recent advancements in microbial electrochemical technologies and related technologies to lessen the contamination of water resources. The book goes into great detail about the fundamental aspects of water pollution, including their causes, primary sources, detection, treatment, and mitigation using microbial electrochemical technologies and management systems as well as commercialization and economics thoughts that are currently of significant importance. Additionally, with the aid of appropriate tables and figures, all of these chapters havebeen arranged according to recent developments and aspects of the field. The book's goal is to give readers a fundamental understanding of how microbial electrochemical technologies work. It is intended for a wide range of readers, including undergraduate and graduate students, researchers, academicians, environmentalists, policymakers, businesspeople, and R&D teams. We gratefully thank all of the authors. We'll be open to recommendations for making the next book or edition better. .

Environmental engineering. --- Biotechnology. --- Bioremediation. --- Refuse and refuse disposal. --- Environmental chemistry. --- Water. --- Hydrology. --- Pollution. --- Sustainability. --- Environmental Engineering/Biotechnology. --- Waste Management/Waste Technology. --- Environmental Chemistry.