Experimental and theoretical investigations of benzoic acid derivatives as corrosion inhibitors for AISI 316 stainless steel in hydrochloric acid medium: DFT and Monte Carlo simulations on the Fe (110) surface
Mustapha Alahiane, Rachid Oukhrib, Youssef Aït Albrimi, Hicham Abou Oualid, Hassan Bourzi, Rachid Aı̈t Akbour, Ali Assabbane, Ayssar Nahlé, Mohamed Hamdani
Abstract
) were calculated and showed the anti-corrosive properties of C1, C2 and C3. Moreover, theoretical vibrational spectra were calculated to exhibit the functional hydroxyl groups (OH) in the studied compounds. In agreement with the experimental data, the theoretical results showed that the order of inhibition efficiency was C3 > C2 > C1.
Topics & Concepts
Hydrochloric acidBenzoic acidCorrosionMonte Carlo methodMaterials scienceChemistryNuclear chemistryInorganic chemistryMetallurgyOrganic chemistryMathematicsStatisticsCorrosion Behavior and InhibitionConcrete Corrosion and DurabilityHydrogen embrittlement and corrosion behaviors in metals