Computational modelling and simulations for designing of corrosion inhibitors : fundamentals and realistic applications /
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. Thi...
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| Other Authors: | , , |
| Format: | eBook |
| Language: | English |
| Published: |
Amsterdam, Netherlands ; Oxford, United Kingdom ; Cambridge MA :
Elsevier,
[2023]
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| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
| Summary: | 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. |
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| Physical Description: | 1 online resource (1 volume) |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: | 9780323951623 0323951627 |