Aromatic sulfur‐nitrogen extraction using ionic liquids: Experiments and predictions using an a priori model. Issue 12 (6th September 2013)

• Record Type: Journal Article
• Authors: Anantharaj, Ramalingam; Banerjee, Tamal
• Is Part Of: AIChE journal. Volume 59:Issue 12(2013:Dec.)
• Page Start: 4806
• Page End: 4815
• Publication Date: 2013-09-06
• Subjects: Chemical engineering -- Periodicals; Génie chimique -- Périodiques; 660.28
• DOI: 10.1002/aic.14224
• Languages: English
• ISSNs: 0001-1541

Abstract

<abstract abstract-type="main"> <title> <x xml:space="preserve">Abstract</x> </title> <p>The tie‐line composition of three quaternary system namely 1‐ethyl‐3‐methylimidazolium acetate ([EMIM][OAc]) ([EMIM][OAc]) (1) + thiophene (2) + pyridine (3) + toluene (4), 1‐ethyl‐3‐methylimidazolium ethylsulphate ([EMIM][EtSO₄]) (1) + thiophene (2) + pyridine (3) + toluene (4), 1‐ethyl‐3‐methylimidazolium methylsulphonate ([EMIM][MeSO₃]) (1) + thiophene (2) + pyridine (3) + toluene (4) were experimentally determined at 298.15 K. The measured tie‐line data were successfully correlated with the nonrandom two liquid and UNIversal QUAsiChemical model prediction which gave less than 1% root mean square deviation (RMSD). [EMIM][MeSO₃] looks to be a promising solvent for the simultaneous separation having distribution ratios less than unity for both thiophene and pyridine. The quantum chemical‐based conductor like screening model for real solvent (COSMO‐RS) model was then used to predict the tie‐line composition of quaternary systems. COSMO‐RS gave the RMSD for the studied systems to be 8.41, 8.74, and 6.53% for the ionic liquids, respectively. © 2013 American Institute of Chemical Engineers <italic>AIChE J</italic>, 59: 4806–4815, 2013</p> </abstract>