Computational Modelling and Simulations for Designing of Corrosion Inhibitors

Computational Modelling and Simulations for Designing of Corrosion Inhibitors PDF

Author: Dakeshwar Kumar Verma

Publisher: Elsevier

Published: 2023-04-19

Total Pages: 566

ISBN-13: 0323951627

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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. 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

Phytochemistry in Corrosion Science

Phytochemistry in Corrosion Science PDF

Author: Chandrabhan Verma

Publisher: CRC Press

Published: 2024-03-27

Total Pages: 553

ISBN-13: 1003849733

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Phytochemistry in Corrosion Science covers the use of plant extracts/phytochemicals in corrosion mitigation with industrial applications. It explores innovative and characterization approaches toward the utilization of plant extracts and their phytochemicals as potential corrosion inhibitors for several metals and their alloys. Providing a comprehensive overview of the green aspects of plant extracts as corrosion inhibitors, this book discusses the preparation of aqueous and organic phase extracts, and their advantages, disadvantages, and use for different aggressive media. It also examines aqueous and organic extracts that have been successfully used as corrosion inhibitors for various metals and electrolyte combinations. This book will be a useful reference for undergraduate and graduate students and academic researchers in the fields of phytochemistry, corrosion science and engineering, environmental science, chemical engineering, green chemistry, and mechanical/industrial engineering.

Innovations in Nanomaterials-Based Corrosion Inhibitors

Innovations in Nanomaterials-Based Corrosion Inhibitors PDF

Author: Thakur, Abhinay

Publisher: IGI Global

Published: 2024-07-22

Total Pages: 489

ISBN-13:

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As industries strive for greater efficiency and longevity in their metal infrastructure, corrosion remains a persistent and costly adversary. Traditional corrosion inhibitors often fail to provide long-term protection, leading to significant economic losses and environmental harm. Innovations in Nanomaterials-Based Corrosion Inhibitors delves into a thorough exploration of the rapidly evolving field of nanomaterials and their pivotal role in corrosion inhibition. This comprehensive guide offers a transformative solution utilizing the power of nanotechnology to combat corrosion with unparalleled effectiveness. Within the pages of this book lies a wealth of knowledge meticulously curated to address the pressing need for advanced corrosion inhibition strategies. From understanding the fundamental principles of corrosion to exploring the innovative applications of nanomaterials, it equips readers with the tools to revolutionize their approach to metal protection. With a precise analysis of the synthesis, characterization, and practical implementation of diverse nanomaterials, encompassing nanoparticles, nanocomposites, and nanostructured coatings, and a primary focus on safeguarding metal surfaces against corrosion, this book creates the much-needed reference for shaping the future of corrosion inhibitors. Innovations in Nanomaterials-Based Corrosion Inhibitors offers a roadmap to overcoming corrosion challenges and heralding a new era of sustainability and cost-effectiveness. By embracing nanotechnology, industries can enhance the durability of their metal infrastructure while minimizing environmental impact and maximizing economic efficiency.

Towards Nanofluids for Large-Scale Industrial Applications

Towards Nanofluids for Large-Scale Industrial Applications PDF

Author: Bharat A. Bhanvase

Publisher: Elsevier

Published: 2024-05-14

Total Pages: 479

ISBN-13: 0443154848

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Nanofluids for Large-Scale Industrial Applications examines the challenges and current progress towards large-scale industrial application of nanofluids, summarizing and bringing together varied current research strands and providing potential solutions pertaining to the scientific, economic, and social barriers that currently exist. Opening with an introduction to nanofluid synthesis, types, and properties, this book traverses the potential large-scale applications and commercialisation of nanofluids in industrial heating/cooling, solar energy systems, refrigeration systems, automotive systems, and various chemical processes and manufacturing systems. This book provides knowledge of a vast area of applications of nanofluids in industries. Thus, it also has potential to encourage and trigger the minds of researchers to discover more about nanofluids, investigate the gaps, overcome the challenges, and provide future directions for newer applications and develop nanofluids further. The book is written chiefly for graduate/postdoc level students and researchers/academics teaching or studying in chemical and thermal engineering and who are focused on heat transfer enhancement, thermal energy, nanofluids, and nano-enhanced energy systems such as solar thermal systems. Examines the challenges and current progress towards implementing large-scale industrial application of nanofluids Addresses current gaps in research, explores challenges and controversies as well as weaknesses and strengths versus alternative solutions Aims to bridge the gap between fundamental research and potential industrial-scale utilization in the future by providing pathways towards convenient and sustainable scale-up Meets a need to compile all current information and knowledge from studies and research related to large-scale nanofluids applications in one single resource

Using Traditional Design Methods to Enhance AI-Driven Decision Making

Using Traditional Design Methods to Enhance AI-Driven Decision Making PDF

Author: Nguyen, Tien V. T.

Publisher: IGI Global

Published: 2024-01-10

Total Pages: 528

ISBN-13:

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In the rapidly evolving landscape of industrial activities, artificial intelligence (AI) has emerged as a powerful force driving transformative change. Among its many applications, AI has proven to be instrumental in reducing processing costs associated with optimization challenges. The intersection of AI with optimization and multi-criteria decision making (MCDM) techniques has led to practical solutions in diverse fields such as manufacturing, transportation, finance, economics, and artificial intelligence. Using Traditional Design Methods to Enhance AI-Driven Decision Making delves into a wide array of topics related to optimization, decision-making, and their applications. Drawing on foundational contributions, system developments, and innovative techniques, the book explores the synergy between traditional design methods and AI-driven decision-making approaches. The book is ideal for higher education faculty and administrators, students of higher education, librarians, researchers, graduate students, and academicians. Contributors are invited to explore a wide range of topics, including the role of AI-driven decision-making in leadership, trends in AI-driven decision-making in Industry 5.0, applications in various industries such as manufacturing, transportation, healthcare, and banking services, as well as AI-driven optimization in mechanical engineering and materials.

Organic Corrosion Inhibitors

Organic Corrosion Inhibitors PDF

Author: Chandrabhan Verma

Publisher: John Wiley & Sons

Published: 2021-09-11

Total Pages: 530

ISBN-13: 1119794501

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Provides comprehensive coverage of organic corrosion inhibitors used in modern industrial platforms, including current developments in the design of promising classes of organic corrosion inhibitors Corrosion is the cause of significant economic and safety-related problems that span across industries and applications, including production and processing operations, transportation and public utilities infrastructure, and oil and gas exploration. The use of organic corrosion inhibitors is a simple and cost-effective method for protecting processes, machinery, and materials while remaining environmentally acceptable. Organic Corrosion Inhibitors: Synthesis, Characterization, Mechanism, and Applications provides up-to-date coverage of all aspects of organic corrosion inhibitors, including their fundamental characteristics, synthesis, characterization, inhibition mechanism, and industrial applications. Divided into five sections, the text first covers the basics of corrosion and prevention, experimental and computational testing, and the differences between organic and inorganic corrosion inhibitors. The next section describes various heterocyclic and non-heterocyclic corrosion inhibitors, followed by discussion of the corrosion inhibition characteristics of carbohydrates, amino acids, and other organic green corrosion inhibitors. The final two sections examine the corrosion inhibition properties of carbon nanotubes and graphene oxide, and review the application of natural and synthetic polymers as corrosion inhibitors. Featuring contributions by leading researchers and scientists from academia and industry, this authoritative volume: Discusses the latest developments and issues in the area of corrosion inhibition, including manufacturing challenges and new industrial applications Explores the development and implementation of environmentally-friendly alternatives to traditional toxic corrosion inhibitors Covers both established and emerging classes of corrosion inhibitors as well as future research directions Describes the anticorrosive mechanisms and effects of acyclic, cyclic, natural, and synthetic corrosion inhibitors Offering an interdisciplinary approach to the subject, Organic Corrosion Inhibitors: Synthesis, Characterization, Mechanism, and Applications is essential reading for chemists, chemical engineers, researchers, industry professionals, and advanced students working in fields such as corrosion inhibitors, corrosion engineering, materials science, and applied chemistry.

Molecular Modeling of Corrosion Processes

Molecular Modeling of Corrosion Processes PDF

Author: Christopher D. Taylor

Publisher: John Wiley & Sons

Published: 2015-05-26

Total Pages: 276

ISBN-13: 1119057647

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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

Applications of the Effectiveness of Corrosion Inhibitors with Computational Methods and Molecular Dynamics Simulation

Applications of the Effectiveness of Corrosion Inhibitors with Computational Methods and Molecular Dynamics Simulation PDF

Author: Burak T√oz√on

Publisher:

Published: 2019

Total Pages: 0

ISBN-13:

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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.

Polymeric Materials in Corrosion Inhibition

Polymeric Materials in Corrosion Inhibition PDF

Author: Saviour A. Umoren

Publisher: Elsevier

Published: 2022-06-01

Total Pages: 636

ISBN-13: 0128238704

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Polymeric Materials in Corrosion Inhibition: Fundamentals and Applications brings together the very latest information and techniques in the preparation and application of a broad range of polymeric materials as corrosion inhibitors in diverse corrosive environments. Sections introduce the fundamentals of polymeric materials, corrosion and corrosion inhibitors and include methodical coverage of polymers as corrosion inhibitors, with separate sections for natural and synthetic polymers. Each chapter guides the reader through the synthesis, properties and application of a specific polymer for corrosion inhibition, including an analysis of advantages and disadvantages and guidance on methods for improved performance. Final chapter cover other important aspects and developments, including adsorption mechanisms, quantum chemical calculations, molecular dynamics and simulations. This is a valuable reference for researchers and advanced students across a range of disciplines, including polymer science, corrosion, electrochemistry, materials science, chemical engineering, and petroleum engineering. Introduces the fundamentals of polymeric materials, applications of polymers, corrosion and corrosion inhibition Provides thorough, systematic coverage of their synthesis, characterization and application, all organized by polymer category Explores advantages and disadvantages of polymers in corrosion inhibition, along with methods to improve performance