Integrating experimental and computational approaches to evaluate quinoline derivative as corrosion inhibitor for Q235 steel in simulated acidizing fluid under static and hydrodynamic conditions

This research examines the synthesis and anti-corrosion properties of quinolin derivative (QD), in 15% HCl solution, for the protection of Q235 steel. The weight loss, electrochemical, and surfaces examination methods reveal the structural look of the steel surface. The findings show that at 30 °C, QD performs at a maximum of 93.39% (125 mg/L). Up to 60 °C, the effectiveness of inhibition rises with temperature; after that, it decreases. Under comparison to static conditions, QD performs superior within hydrodynamic conditions. Morphology studies of surface characterization confirm the formation of inhibitory film of QD above the metal. Additionally, molecular and atomic level understanding the way of interaction between the QD and Q235 steel substrate was provided by the density functional theory (DFT) and molecular dynamic simulation (MD) outcomes.