In the hot-dip galvanizing process, pickling is a substage of surface pretreatment that represents a potential economic and environmental risk [1], [2]. It generates large volumes of solid waste rich in heavy metals and incurs high associated treatment costs [3]. A promising alternative for recovering the pickling potential of spent acids and minimizing waste is the utilization of chelating agents, such as organic acids, particularly oxalic acid and tartaric acid, which have proven their reactivity in precipitating Fe+2 and Zn+2 in acidic medium (pH ¿ 2) [4] This study assesses the efficacy of organic acids at pH ¿ 1 to reclaim a solution of spent acids. For this purpose, a novel methodology is introduced, employing molecular simulation techniques, experimentation, and sustainability assessment centered on the preliminary design of chemical processes.