Mathematical Models Generated for the Prediction of Corrosion Inhibition Using Different Theoretical Chemistry Simulations
José A. Rodrı́guez, Julián Cruz‐Borbolla, Pablo Alejandro Arizpe Carreón, Evelin Gutiérrez
Abstract
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.
Topics & Concepts
CorrosionMathematical modelQuantitative structure–activity relationshipProcess (computing)Molecular descriptorMetalExperimental dataBiochemical engineeringMaterials scienceComputational chemistryBiological systemComputer scienceChemistryEngineeringMathematicsMetallurgyMachine learningStatisticsOperating systemBiologyCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals