Caprylate Salts Based on Amines as Volatile Corrosion Inhibitors for Metallic Zinc: Theoretical and Experimental Studies

Abstract

The interaction of volatile corrosion inhibitors (VCI), caprylate salt derivatives from amines, with zinc metallic surfaces is assessed by density functional theory (DFT) computer simulations, electrochemical impedance (EIS) measurements and humid chamber tests. The results obtained by the different methods were compared, and linear correlations were obtained between theoretical and experimental data. The correlations between experimental and theoretical results showed that the molecular size is the determining factor in the inhibition efficiency. The models used and experimental results indicated that dicyclohexylamine caprylate is the most efficient inhibitor.

Guest Leakage from ZIF-8 Particles under Drug Delivery Conditions: Quantitative Characterization and Guest-Induced Framework Stabilization

“…At the same time, the dilution with pharmaceutical albumin led to a higher amount of released molecules (Table S3). Probably, the more pronounced degradation of ZIF-8 particles in the presence of pharmaceutical albumin is a result of the complexation between the additional components (sodium caprylate and sodium acetyltryptophanate) of albumin solution and the Zn 2+ ions of ZIF-8. , …”

“…Probably, the more pronounced degradation of ZIF-8 particles in the presence of pharmaceutical albumin is a result of the complexation between the additional components (sodium caprylate and sodium acetyltryptophanate) of albumin solution and the Zn 2+ ions of ZIF-8. 46,47 Note that the stepwise release of a portion of the nitroxides, which is not followed by any further kinetics, most likely corresponds to the binding of all albumins in solution, with Zn 2+ ions stemming from dissolved MOF. Indeed, the amount of rapidly released nitroxides allows one to estimate the amount of available Zn 2+ ions, and the latter agrees well with the amount of albumin in solution (see SI).…”