Efficient corrosion inhibition by sugarcane purple rind extract for carbon steel in HCl solution: mechanism analyses by experimental and <i>in silico</i> insights
Siguang Meng, Zining Liu, Xiaoqi Zhao, Baomin Fan, Hao Liu, Mao Zhen Guo, Hua Hao
Abstract
. However, SPRE still fully maintained its morphology and wettability at 328 K. The electrochemical kinetics of C-steel in HCl solution without and with SPRE was also supported by EFM spectra. The adsorption of SPRE conformed to the Langmuir isotherm and increased the corrosion activation energy of C-steel. Complementing the experimental observations, calculations based on density functional theory indicated that the hydroxyl-substituted pyran moiety on the carthamin (CTM) and anthocyanin (ATC) constituents in SPRE hardly contributed to its reactive activity due to their adsorption processes. Therefore, CTM and ATC exhibited imperfect parallel adsorption on the Fe (100) plane according to the molecular dynamics simulation, while anthoxanthin (ATA) and catechinic acid (CCA) constituents exhibited a flat orientation on the iron surface.