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Computational Modelling and Simulations for Designing of Corrosion Inhibitors
ISBN: 9780323951616
Published: 2023
Publisher: Elsevier
Language: English
Format: Paperback / softback
Format: 9.25×7.5
Published: 2023
Publisher: Elsevier
Language: English
Format: Paperback / softback
Format: 9.25×7.5
Description
<i>Computational Modeling and Simulations for Designing of Corrosion Inhibitors: Fundamentals and Realistic Applications</i> 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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