Open AccessPalmitic‐Acid‐Based Hydrophobic Deep Eutectic Solvents for the Extraction of Lower Alcohols from Aqueous Media: Liquid–Liquid Equilibria Measurements, Validation and Process Economics
Author(s) -
Verma Rupesh,
Banerjee Tamal
Publication year - 2019
Publication title -
global challenges
Language(s) - English
Resource type - Journals
ISSN - 2056-6646
DOI - 10.1002/gch2.201900024
Subject(s) - chemistry , eutectic system , hydrogen bond , palmitic acid , extraction (chemistry) , cosmo rs , solvent , aqueous solution , deep eutectic solvent , uniquac , aqueous two phase system , organic chemistry , thermodynamics , activity coefficient , ionic liquid , molecule , non random two liquid model , fatty acid , catalysis , physics , alloy
A new, natural, hydrophobic deep eutectic solvent (NADES) based on DL‐menthol and palmitic acid is adopted for the extraction of alcohols from aqueous phase. DL‐menthol is used as a hydrogen bond acceptor and palmitic acid, being a natural organic acid, as a hydrogen bond donor. The synthesis is carried out by the addition of DL‐menthol and palmitic acid in a defined molar ratio. Physical properties of NADES along with water stability are then measured. Liquid–liquid equilibria (LLE) of lower alcohols, namely, DES (1) + lower alcohols (ethanol/1‐propanol/1‐butanol) (2) + water (3) are carried out at p = 1 atm and T = 298.15 K. LLE results show type‐I phase behavior, where alcohol is preferentially attracted toward DES. The tie lines are then regressed via nonrandom two liquid and universal quasichemical models, which give root mean square deviation (RMSD) in the range of 0.29–0.35% and 0.39–0.75%, respectively. Finally, the quantum‐chemical‐based conductor‐like screening model‐segment activity coefficient is used to predict the tie lines, which gives an RMSD of 2.1–5.2%. A hybrid extractive distillation flowsheet is then used for scale up, process economics, and solvent recovery aspects in ASPEN using DES as a “pseudocomponent.”