What is it about?
Corrosion of metallic constructions is a serious problem in most industries worldwide that can be controlled via addition of special chemicals having adsorption capability on metal surfaces and hence isolating it from the aggressive environment. These chemicals are characterized by being rich in functional groups containing free lone pairs of electrons and/or p-electrons.
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Why is it important?
In the present study four newly imidazole-pyrimidine based ionic derivatives have been synthesized and their structures were characterized by means of elemental analysis and different spectroscopic techniques. Quantum chemical calculations were carried out to give insights into the structural and electronic characteristics of these fabricated compounds.
Perspectives
Monte Carlo simulation was also applied to shed the light on our prepared corrosion inhibitor molecules by examining their aptitude to adsorb on iron surface. Our ultimate goal is to help industries in fighting corrosion by providing them with a cheap and efficient anti-corrosion molecules.
Professor Sameh Ahmed Rizk
ASU, Science, Chemistry
Read the Original
This page is a summary of: Characterization of newly synthesized pyrimidine derivatives for corrosion inhibition as inferred from computational chemical analysis, Journal of Molecular Structure, January 2018, Elsevier,
DOI: 10.1016/j.molstruc.2017.09.079.
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