Use of a theoretical prediction method and quantum chemical calculations for the design, synthesis and experimental evaluation of three green corrosion inhibitors for mild steel
| Autor: | Leonardo X. Alvarez, Adriana C. Maldonado Barrios, Caio Machado Fernandes, Fernando Martins dos Santos Junior, Ana Carolina Ferreira de Albuquerque, Javier A.C. Velasco, Eduardo A. Ponzio, Vitoria G.S.S. Pina |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Green chemistry
Langmuir Materials science Inorganic chemistry Hydrochloric acid 02 engineering and technology engineering.material 010402 general chemistry Electrochemistry 01 natural sciences Corrosion Mild steel chemistry.chemical_compound Corrosion inhibitor Colloid and Surface Chemistry Molecule Electrochemical measurements Theoretical predictions 021001 nanoscience & nanotechnology A36 steel 0104 chemical sciences chemistry engineering 0210 nano-technology Quantum chemistry |
| Zdroj: | Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol.599, pp.124857 Kérwá Universidad de Costa Rica instacron:UCR |
| ISSN: | 0927-7757 |
| DOI: | 10.1016/j.colsurfa.2020.124857 |
| Popis: | Three phenylmethanimine derivatives (Schiff bases) were designed after a theoretical prediction of their corrosion inhibition efficiencies and a corroboration through the use of quantum chemical calculations. The molecules were then prepared using a classical condensation reaction between aldehydes and amines but taking in account the tenets of green chemistry. Their application as corrosion inhibitors for ASTM A36 steel in 1 mol L−1 hydrochloric acid media was explored by means of a weight loss analysis, electrochemical tests and a surface morphology analysis to physically evaluate the metallic sacrifice surfaces used. The results of the electrochemical tests revealed that the three compounds have a good anti-corrosion capacity and act as mixed-type corrosion inhibitors. In addition, cross-checking the data from weight loss analysis and electrochemical tests confirm Langmuir monolayer formation theory. The corrosion inhibition efficiencies found range between 83.5 and 95.6%. Universidad de Costa Rica/[115-B9-134]/UCR/Costa Rica Conselho Nacional de Desenvolvimento Científico e Tecnológico/[]/CNPq/Brazil Fundação de Amparo à Pesquisa do Estado do Rio de Janeiro/[E-26/102.971/2012]/FAPERJ/Brasil Fundação de Amparo à Pesquisa do Estado do Rio de Janeiro/[E-26/111.407/2013]/FAPERJ/Brasil Coordenação de Aperfeiçoamento de Pessoal de Nível Superior/[001]/CAPES/Brazil UCR::Vicerrectoría de Docencia::Ciencias Básicas::Facultad de Ciencias::Escuela de Química |
| Databáze: | OpenAIRE |
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