<![CDATA[The objective of this research is to evaluate whether an extract from the fruit peel of Sandoricum koetjape (ESK) can stop aluminum from corroding in a 1 M HCl solution at various concentrations. Various computational, simulational, and experimental approaches were used throughout the process, including Monte Carlo simulation (MC), density functional theory (DFT), electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization (PDP). Increasing the ESK concentration from 1000 to 3000 ppm improved the inhibition efficiency, reaching 73.21% by EIS and 79.43% by PDP, accompanied by a decrease in corrosion current density and an increase in charge transfer resistance. The ESK peel extract showed significant corrosion protection efficiency. The Freundlich adsorption isotherm model yielded results that were quite consistent. Using quantum chemical calculations and MC simulations, we assessed cyclopropa-azulene (CA) and hydroxymethylpropane (HP), two ESK compounds. The inhibition mechanism involves the spontaneous adsorption of phytochemical constituents on the aluminum surface through combined physisorption and chemisorption, forming a protective barrier that suppresses both anodic metal dissolution and cathodic hydrogen evolution reactions. These findings indicate that ESK is a promising green, low-cost, and sustainable corrosion inhibitor for aluminum during acid cleaning and pickling processes.]]>
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