Strategic Synthesis and <scp>DFT</scp> Investigation of Tung Oil‐ <scp>FAME</scp> Derived Polyurethane Organogels for High‐Performance Dye Remediation

ABSTRACT The increasing discharge of dye‐containing industrial effluents necessitates the development of effective remediation strategies. In this study, a tung oil fatty acid methyl ester (FAME) of Tung oil‐based polyol was chemically modified using 1,4‐butanediol (1,4‐BDO). The modified polyol (MP‐BDO) was further used for the systematic synthesis of polyurethane organogels using four different organic solvents, that is, Dimethyl sulfoxide (DMSO), N, N‐Dimethylformamide (DMF), Acetone, and 1,4‐dioxane, allowing controlled variation in gel structure and its properties. The organogels were characterized using spectroscopic, thermal, morphological, and computational analyses to confirm polyol modification, urethane formation, and solvent‐dependent microstructural development. Their dye adsorption performance was evaluated using methyl orange (MO), methylene blue (MB), and rhodamine B (RHB). All organogels exhibited rapid adsorption, reaching equilibrium within 240 min. Maximum removal efficiencies of 97.49% for MO, 99.96% for MB, and 98.72% for RHB were achieved, corresponding to adsorption capacities of 208.78, 109.96, and 177.69 mg g −1 , respectively. The high adsorption efficiency is attributed to the porous organogel network, solvent‐induced swelling, and polar urethane functionalities that promote strong dye interactions. The PU‐organogel retained 67.82% adsorption efficiency after five adsorption–desorption cycles, demonstrating good reusability and structural stability for wastewater remediation applications.