Molecular design of deep eutectic solvents for highly selective separation and purification of succinic acid

Abstract This study pioneers a sustainable separation strategy for succinic acid (SA) recovery from mixed dicarboxylic acids (glutaric acid (GA)/adipic acid (AA)/SA) using deep eutectic solvents (DESs). Through COSMO‐SAC modeling and experimental validation, choline chloride–urea DES demonstrated superior SA/AA selectivity and operational stability. Optimized leaching conditions (liquid–solid ratio (LSR) 4:1, 80°C, 60 min) achieved 99.5% SA purity with 65% yield, outperforming conventional crystallization. The DES exhibited exceptional recyclability (>95% recovery after 5 cycles) and maintained structural integrity. This work establishes a green paradigm for carboxylic acid separations while enabling simultaneous AA enrichment (68 wt%). The integrated computational‐experimental approach provides a template for rational solvent design in sustainable chemical processes.