Molecular modelling of compounds used for corrosion inhibition studies: a review-Reference-Cited by-同舟云学术

Molecular modelling of compounds used for corrosion inhibition studies: a review

Published:2021 Issue:36 Volume:23 Page:19987-20027
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ebenso Eno E.¹^ORCID,Verma Chandrabhan²^ORCID,Olasunkanmi Lukman O.³^ORCID,Akpan Ekemini D.⁴^ORCID,Verma Dakeshwar Kumar⁵^ORCID,Lgaz Hassane⁶^ORCID,Guo Lei⁷^ORCID,Kaya Savas⁸,Quraishi M. A.²^ORCID

Affiliation:

1. Institute for Nanotechnology and Water Sustainability, College of Science, Engineering and Technology, University of South Africa, Johannesburg, South Africa

2. Interdisciplinary Research Center for Advanced Materials, King Fahd University of Petroleum and Minerals, Dhahran, 31261, Saudi Arabia

3. Department of Chemistry, Faculty of Science, Obafemi Awolowo University, Ile-Ife 220005, Nigeria

4. Material Science Innovation and Modelling Research Focus Area, Faculty of Natural and Agricultural Sciences, North-West University (Mafikeng Campus) Private Bag X2046, Mmabatho 2735, South Africa

5. Department of Chemistry, Govt. Digvijay Autonomous Postgraduate College, Rajnandgaon, Chhattisgarh 491441, India

6. Department of Crop Science, College of Sanghur Life Science, Konkuk University, Seoul 05029, South Korea

7. School of Materials and Chemical Engineering, Tongren University, Tongren, 554300, China

8. Faculty of Science, Department of Chemistry, Cumhuriyet University, 58140, Sivas, Turkey

Abstract

This perspective review features, among others, the use of DFT, QSAR modeling, artificial neural network (ANN) modeling, molecular dynamics simulations and Monte Carlo simulations in modelling organic corrosion inhibitors. It is a compendium of studies on the subject.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP00244A

Reference386 articles.

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3. Organic corrosion inhibitors for aluminium and its alloys in acid solutions: a review

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