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Viac informácií o knihe Computational Modelling and Simulations for Designing of Corrosion Inhibitors

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Anotácia knihy

Computational Modelling and Simulations for Designing of Corrosion Inhibitors is a collection of major advancements in the field of computational modelling for the design and testing of corrosion inhibition effectiveness of organic corrosion inhibitors. It presents the latest developments in molecular modelling of organic compounds using computational software that has been emerged as a powerful approach for theoretical determination of corrosion inhibition potentials of organic compounds. The book handles common techniques involved in theoretical studies of corrosion inhibition potentials and mechanisms such as density functional theory (DFT), molecular dynamics (MD) and Monte Carlo (MC) simulations, artificial neural networks (ANNs) and quantitative structure-activity relationship (QSAR). The book labels chemical reactivity and corrosion inhibition activities of organic compounds using computational modelling as a time-saving and eco-friendly approach of screening organic compounds for corrosion inhibition potentials before their wet laboratory synthesis would be carried out. 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 latest research

Parametre knihy

Zaradenie knihy Knihy po anglicky Technology, engineering, agriculture Industrial chemistry & manufacturing technologies Industrial chemistry

• Celý názov: Computational Modelling and Simulations for Designing of Corrosion Inhibitors
• Podnázov: Fundamentals and Realistic Applications
• Autor: Dakeshwar Kumar Verma, Chandrabhan Verma, Jeenat Aslam
• Jazyk: Angličtina
• Väzba: Brožovaná
• Počet strán: 300
• EAN: 9780323951616
• ID: 39249200
• Nakladateľ: Elsevier - Health Sciences Division
• Rozmery: 235 × 191 mm
• Dátum vydania: 01. January 2023

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