Adsorption and corrosion-inhibiting effect of 2-(2-{[2-(4-Pyridylcarbonyl)hydrazono]methyl}phenoxy)acetic acid on mild steel surface in seawater

► One synthesized organic compound was experimentally and theoretically investigated. ► The investigated compound showed chemisorption on the surface. ► The adsorption of the inhibitor on steel surface obeys Langmuir adsorption isotherm. ► Employing Gaussian DFT method for quantum chemical study of inhibitor. ► The adsorption behaviour of the studied inhibitor on iron surface has been studied using molecular dynamics method.