Corrosion protection performance of silicon-based coatings on carbon steel in NaCl solution: a theoretical and experimental assessment of the effect of plasma-enhanced chemical vapor deposition pretreatment

Abstract

Using a plasma-assisted chemical vapor deposition (PACVD) process, carbon steel samples were coated with an organosilicon layer less than 2.5 microns thick.

Sustainable and Green Corrosion Inhibition of Mild Steel: Insights from Electrochemical and Computational Approaches

“…58 The overall reactivity of the test molecules is closely tied to the presence of the frontier molecular orbitals, particularly the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), within their electronic structures. 59 Furthermore, DFT facilitated the identification of various quantum chemistry parameters, including the electron affinity, hardness, chemical electronegativity, fraction of transferred electrons, and energy gap, offering a comprehensive overview of the chemical selectivity of the investigated inhibitors. Formulas for calculating these parameters can be found in the existing literature.…”

3,4-Dimethoxy phenyl thiosemicarbazone as an effective corrosion inhibitor of copper under acidic solution: comprehensive experimental, characterization and theoretical investigations

“…36 These simulations offer invaluable insights into the chemical characteristics of organic inhibitors and their interactions with metal surfaces, highlighting the role of electron correlation effects in these processes. 20,21,23,[37][38][39] Furthermore, the application of Density Functional Theory (DFT) has been instrumental in exploring the inhibitory capacities and groundstate geometries of various substances, underscoring the theory's computational efficiency in capturing electron correlation effects vital for analyzing chemical interactions. 16,40,41 This computational approach complements experimental ndings by providing a detailed molecular perspective, thereby enhancing our comprehension of corrosion inhibition mechanisms.…”

“…8 The corrosion challenge underscores the urgency for robust strategies to shield against corrosive agents' potential damages and substantial economic impacts. 9–11…”

“…8 The corrosion challenge underscores the urgency for robust strategies to shield against corrosive agents' potential damages and substantial economic impacts. [9][10][11] Various corrosion inhibition techniques have been explored in response, including using corrosion inhibitors designed to mitigate metal corrosion in acidic settings. 12,13 Traditional organic corrosion inhibitors, while effective, are hampered by their high cost, toxicity, complicated production processes, and environmental hazards.…”

“…Organic molecules, particularly those with heteroatoms (N, O, S) or polar functional groups, are known to adsorb onto metal surfaces through physical or chemical interactions. [19][20][21] This adsorption forms protective barrier-type coatings that prevent corrosion by blocking electrochemical reactions at both cathodic and anodic sites on the metal surface. 22,23 The efficiency of this protective layer in reducing redox reactions at the metal-solution interface is critical for corrosion inhibition.…”