Effect of Alkyl Chain Length of Quaternary Ammonium Surfactant Corrosion Inhibitor on Fe (110) in Acetic Acid Media via Computer Simulation
Density functional theory (DFT) and molecular dynamics (MD) simulations were employed to investigate the inhibition mechanism of cationic quaternary ammonium surfactant corrosion inhibitors (CIs) with varying chain lengths in 1.0 M HCl and 500 ppm acetic acid on Fe (110) surfaces. DFT calculations d...