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Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations

The use of corrosion inhibitors is an important method to retard the process of metallic attack by corrosion. The construction of mathematical models from theoretical-computational and experimental data obtained for different molecules is one of the most attractive alternatives in the analysis of co...

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Autores principales: Rodríguez, José A., Cruz-Borbolla, Julián, Arizpe-Carreón, Pablo A., Gutiérrez, Evelin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7764000/
https://www.ncbi.nlm.nih.gov/pubmed/33322539
http://dx.doi.org/10.3390/ma13245656
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author Rodríguez, José A.
Cruz-Borbolla, Julián
Arizpe-Carreón, Pablo A.
Gutiérrez, Evelin
author_facet Rodríguez, José A.
Cruz-Borbolla, Julián
Arizpe-Carreón, Pablo A.
Gutiérrez, Evelin
author_sort Rodríguez, José A.
collection PubMed
description The use of corrosion inhibitors is an important method to retard the process of metallic attack by corrosion. The construction of mathematical models from theoretical-computational and experimental data obtained for different molecules is one of the most attractive alternatives in the analysis of corrosion prevention, whose objective is to define those molecular characteristics that are common in high-performance corrosion inhibitors. This review includes data of corrosion inhibitors evaluated in different media, the most commonly studied molecular descriptors, and some examples of mathematical models generated by different researchers.
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spelling pubmed-77640002020-12-27 Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations Rodríguez, José A. Cruz-Borbolla, Julián Arizpe-Carreón, Pablo A. Gutiérrez, Evelin Materials (Basel) Review The use of corrosion inhibitors is an important method to retard the process of metallic attack by corrosion. The construction of mathematical models from theoretical-computational and experimental data obtained for different molecules is one of the most attractive alternatives in the analysis of corrosion prevention, whose objective is to define those molecular characteristics that are common in high-performance corrosion inhibitors. This review includes data of corrosion inhibitors evaluated in different media, the most commonly studied molecular descriptors, and some examples of mathematical models generated by different researchers. MDPI 2020-12-11 /pmc/articles/PMC7764000/ /pubmed/33322539 http://dx.doi.org/10.3390/ma13245656 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Rodríguez, José A.
Cruz-Borbolla, Julián
Arizpe-Carreón, Pablo A.
Gutiérrez, Evelin
Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations
title Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations
title_full Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations
title_fullStr Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations
title_full_unstemmed Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations
title_short Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations
title_sort mathematical models generated for the prediction of corrosion inhibition using different theoretical chemistry simulations
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7764000/
https://www.ncbi.nlm.nih.gov/pubmed/33322539
http://dx.doi.org/10.3390/ma13245656
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