Experimental and theoretical study on the effectiveness of ionic liquids as corrosion inhibitors was written by Hernandez-Bravo, Raiza;Miranda, Alma D.;Parra, Jose G.;Alvarado-Orozco, Juan M.;Dominguez-Esquivel, Jose M.;Mujica, Vladimiro. And the article was included in Computational & Theoretical Chemistry in 2022.Formula: C10H22O3 The following contents are mentioned in the article:
An exptl. and computational study, using a D. Functional Theory approach, was made about the anticorrosive effect of ionic liquids on hematite surfaces. Based on the hypothesis that adsorption is an initial step in the kinetics of corrosion, followed by electron transfer processes, adsorption energy calculations and corrosion rates are determined to investigate the effect as corrosion inhibitor of ionic liquids mols. Several, potential descriptors of the inhibitor performance, conceptualized as an electrochem. process, based on the frontier orbital theory were used to characterize the interactions that might inhibit the corrosion, including the energies of the highest occupied (ELUMO) and lowest unoccupied (EHOMO) MOs, the energy gap between orbitals, crossed energies differences between HOMO and LUMO of the intervening chem. species and the surface, electronegativity (χ), hardness (η), and number of transferred electrons (ΔN). The main conclusion is that although the adsorption energy is a key parameter in establishing a correlation between calculated parameters and the exptl. characterization of the ILs, the remaining chem. predictors also play an important role on the descriptions of activity corrosion, especially the electronegativity difference between surface and ILs, and the hardness of the IL. This study involved multiple reactions and reactants, such as 2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4Formula: C10H22O3).
2-(2-(Hexyloxy)ethoxy)ethanol (cas: 112-59-4) belongs to ethers. Volatile esters with characteristic odours are used in synthetic flavours, perfumes, and cosmetics. Certain volatile esters are used as solvents for lacquers, paints, and varnishes. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Formula: C10H22O3
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem