标题：Sugar based N,N′-didodecyl-N,N′digluconamideethylenediamine gemini surfactant as corrosion inhibitor for mild steel in 3.5% NaCl solution-effect of synergistic KI additive
摘要：mM of Glu(12)-2-Glu(12) and 10 mM of KI exhibits an inhibition efficiency of 96.9% at 60 °C. Quantum chemical calculations and MD simulation were applied to analyze the experimental data and elucidate the adsorption behaviour and inhibition mechanism of inhibitors. MD simulation showed a nearly parallel or flat disposition for Glu(12)-2-Glu(12) molecules on the MS surface providing larger blocking area to prevent the metal surface from corrosion.
