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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Main Authors: José A. Rodríguez, Julián Cruz-Borbolla, Pablo A. Arizpe-Carreón, Evelin Gutiérrez
Format: Article
Language:English
Published: MDPI AG 2020-12-01
Series:Materials
Subjects:
Online Access:https://www.mdpi.com/1996-1944/13/24/5656
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author José A. Rodríguez
Julián Cruz-Borbolla
Pablo A. Arizpe-Carreón
Evelin Gutiérrez
author_facet José A. Rodríguez
Julián Cruz-Borbolla
Pablo A. Arizpe-Carreón
Evelin Gutiérrez
author_sort José A. Rodríguez
collection DOAJ
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 doaj.art-b63cac0b4b564faaa3d55d185eee48372023-11-21T00:26:27ZengMDPI AGMaterials1996-19442020-12-011324565610.3390/ma13245656Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry SimulationsJosé A. Rodríguez0Julián Cruz-Borbolla1Pablo A. Arizpe-Carreón2Evelin Gutiérrez3Area Académica de Química, Universidad Autónoma del Estado de Hidalgo, Unidad Universitaria, km 4.5 Carretera Pachuca-Tulancingo, Pachuca-Hidalgo C.P. 42184, MexicoArea Académica de Química, Universidad Autónoma del Estado de Hidalgo, Unidad Universitaria, km 4.5 Carretera Pachuca-Tulancingo, Pachuca-Hidalgo C.P. 42184, MexicoIngeniería Aeronáutica, Universidad Politécnica Metropolitana de Hidalgo, Boulevard Acceso a Tolcayuca 1009, Ex Hacienda San Javier, Tolcayuca C.P. 43860, MexicoIngeniería Aeronáutica, Universidad Politécnica Metropolitana de Hidalgo, Boulevard Acceso a Tolcayuca 1009, Ex Hacienda San Javier, Tolcayuca C.P. 43860, MexicoThe 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.https://www.mdpi.com/1996-1944/13/24/5656corrosion inhibitionorganic inhibitorstheoretical studiesmolecular descriptorsmathematical models
spellingShingle José A. Rodríguez
Julián Cruz-Borbolla
Pablo A. Arizpe-Carreón
Evelin Gutiérrez
Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations
Materials
corrosion inhibition
organic inhibitors
theoretical studies
molecular descriptors
mathematical models
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 corrosion inhibition
organic inhibitors
theoretical studies
molecular descriptors
mathematical models
url https://www.mdpi.com/1996-1944/13/24/5656
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AT pabloaarizpecarreon mathematicalmodelsgeneratedforthepredictionofcorrosioninhibitionusingdifferenttheoreticalchemistrysimulations
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