Predicting the performance of organic corrosion inhibitors

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17 Citations (Scopus)

Abstract

The withdrawal of effective but toxic corrosion inhibitors has provided an impetus for the discovery of new, benign organic compounds to fill that role. Concurrently, developments in the high-throughput synthesis of organic compounds, the establishment of large libraries of available chemicals, accelerated corrosion inhibition testing technologies, and the increased capability of machine learning methods have made discovery of new corrosion inhibitors much faster and cheaper than it used to be. We summarize these technical developments in the corrosion inhibition field and describe how data-driven machine learning methods can generate models linking molecular properties to corrosion inhibition that can be used to predict the performance of materials not yet synthesized or tested. We briefly summarize the literature on quantitative structure-property relationships models of small organic molecule corrosion inhibitors. The success of these models provides a paradigm for rapid discovery of novel, effective corrosion inhibitors for a range of metals and alloys in diverse environments.

Original languageEnglish
Article number533
Number of pages8
JournalMetals
Volume7
Issue number12
DOIs
Publication statusPublished - 1 Dec 2017

Keywords

  • Corrosion inhibitors
  • Data-driven models
  • High-throughput corrosion inhibition testing
  • Machine learning
  • Molecular design
  • Organic molecules
  • Quantitative structure-property relationships (QSPR)

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