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Title Computational modelling and simulations for designing of corrosion inhibitors : fundamentals and realistic applications / edited by Dakeshwar Kumar Verma, Chandrabhan Verma, Jeenat Aslam
Published Amsterdam, Netherlands ; Oxford, United Kingdom ; Cambridge MA : Elsevier, [2023]

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Description 1 online resource (1 volume)
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
Bibliography Includes bibliographical references and index
Notes Description based on online resource; title from digital title page (viewed on July 13, 2023)
Subject Corrosion and anti-corrosives -- Computer simulation
Corrosion and anti-corrosives -- Mathematical models
Corrosion and anti-corrosives -- Computer simulation
Corrosion and anti-corrosives -- Mathematical models
Form Electronic book
Author Verma, Dakeshwar Kumar, editor
Verma, Chandrabhan, editor
Aslam, Jeenat, editor
ISBN 9780323951623
0323951627