A recent review on theoretical studies of Gemini surfactant corrosion inhibitors

In recent years, the molecular modeling method has become vital in developing and designing more suitable organic corrosion inhibitors (CI) to protect metal surfaces in pipelines. An in-depth study of organic corrosion inhibitors' electronic properties and behavior in protecting metal surfaces...

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Main Authors: Numin, M.S., Hassan, A., Jumbri, K., Eng, K.K., Borhan, N., Nik M. Daud, N.M.R., M Nor A, A., Suhor, F., Abdul Wahab, R.
Format: Article
Published: 2022
Online Access:http://scholars.utp.edu.my/id/eprint/33990/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85141312759&doi=10.1016%2fj.molliq.2022.120649&partnerID=40&md5=a4c2688d24309ef535839f6b4dc38ddf
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Institution: Universiti Teknologi Petronas
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spelling oai:scholars.utp.edu.my:339902022-12-28T07:44:15Z http://scholars.utp.edu.my/id/eprint/33990/ A recent review on theoretical studies of Gemini surfactant corrosion inhibitors Numin, M.S. Hassan, A. Jumbri, K. Eng, K.K. Borhan, N. Nik M. Daud, N.M.R. M Nor A, A. Suhor, F. Abdul Wahab, R. In recent years, the molecular modeling method has become vital in developing and designing more suitable organic corrosion inhibitors (CI) to protect metal surfaces in pipelines. An in-depth study of organic corrosion inhibitors' electronic properties and behavior in protecting metal surfaces alongside experimental procedures offers a crucial understanding of their corrosion inhibition mechanism. That said, this review summarizes the findings of several recent molecular dynamics (MD) simulation and density functional theory (DFT) calculation studies on Gemini surfactant corrosion inhibition activities from 2019 to 2022. Their findings supported the close agreement between the Gemini surfactant CI's empirical results with the computational data, indicating the importance of computer simulation in predicting the surfactant's role as a CI. This review article also highlights the principle of MD simulation and DFT calculation in corrosion systems in the presence of Gemini surfactant CI. The methods and parameters used to explain the Gemini surfactant inhibition efficiency and the suitability of Gemini surfactant as a CI are also presented. © 2022 Elsevier B.V. 2022 Article NonPeerReviewed Numin, M.S. and Hassan, A. and Jumbri, K. and Eng, K.K. and Borhan, N. and Nik M. Daud, N.M.R. and M Nor A, A. and Suhor, F. and Abdul Wahab, R. (2022) A recent review on theoretical studies of Gemini surfactant corrosion inhibitors. Journal of Molecular Liquids, 368. https://www.scopus.com/inward/record.uri?eid=2-s2.0-85141312759&doi=10.1016%2fj.molliq.2022.120649&partnerID=40&md5=a4c2688d24309ef535839f6b4dc38ddf 10.1016/j.molliq.2022.120649 10.1016/j.molliq.2022.120649 10.1016/j.molliq.2022.120649
institution Universiti Teknologi Petronas
building UTP Resource Centre
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Petronas
content_source UTP Institutional Repository
url_provider http://eprints.utp.edu.my/
description In recent years, the molecular modeling method has become vital in developing and designing more suitable organic corrosion inhibitors (CI) to protect metal surfaces in pipelines. An in-depth study of organic corrosion inhibitors' electronic properties and behavior in protecting metal surfaces alongside experimental procedures offers a crucial understanding of their corrosion inhibition mechanism. That said, this review summarizes the findings of several recent molecular dynamics (MD) simulation and density functional theory (DFT) calculation studies on Gemini surfactant corrosion inhibition activities from 2019 to 2022. Their findings supported the close agreement between the Gemini surfactant CI's empirical results with the computational data, indicating the importance of computer simulation in predicting the surfactant's role as a CI. This review article also highlights the principle of MD simulation and DFT calculation in corrosion systems in the presence of Gemini surfactant CI. The methods and parameters used to explain the Gemini surfactant inhibition efficiency and the suitability of Gemini surfactant as a CI are also presented. © 2022 Elsevier B.V.
format Article
author Numin, M.S.
Hassan, A.
Jumbri, K.
Eng, K.K.
Borhan, N.
Nik M. Daud, N.M.R.
M Nor A, A.
Suhor, F.
Abdul Wahab, R.
spellingShingle Numin, M.S.
Hassan, A.
Jumbri, K.
Eng, K.K.
Borhan, N.
Nik M. Daud, N.M.R.
M Nor A, A.
Suhor, F.
Abdul Wahab, R.
A recent review on theoretical studies of Gemini surfactant corrosion inhibitors
author_facet Numin, M.S.
Hassan, A.
Jumbri, K.
Eng, K.K.
Borhan, N.
Nik M. Daud, N.M.R.
M Nor A, A.
Suhor, F.
Abdul Wahab, R.
author_sort Numin, M.S.
title A recent review on theoretical studies of Gemini surfactant corrosion inhibitors
title_short A recent review on theoretical studies of Gemini surfactant corrosion inhibitors
title_full A recent review on theoretical studies of Gemini surfactant corrosion inhibitors
title_fullStr A recent review on theoretical studies of Gemini surfactant corrosion inhibitors
title_full_unstemmed A recent review on theoretical studies of Gemini surfactant corrosion inhibitors
title_sort recent review on theoretical studies of gemini surfactant corrosion inhibitors
publishDate 2022
url http://scholars.utp.edu.my/id/eprint/33990/
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85141312759&doi=10.1016%2fj.molliq.2022.120649&partnerID=40&md5=a4c2688d24309ef535839f6b4dc38ddf
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