ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Geometric similitude concept and Redlich–Kwong equation of state to predict thermal conductivity of choline chloride class of deep eutectic solvent

Sharjil M. Khan and Debashis Kundu

Department of Chemical Engineering, Institute of Chemical Technology Marathwada Campus, Jalna, India

E-mail: d.kundu@marj.ictmumbai.edu.in

Received: 9 June 2023  Accepted: 19 September 2023

Abstract:

Thermal conductivity of 77 choline chloride-based deep eutectic solvents (DESs) has been estimated at 1.01325 bar and 298.15–333.15 K temperature range in the framework of geometric similitude concept incorporated in the Redlich–Kwong equation of state. The dataset consists of the choline chloride class of hydrogen bond acceptor and alcohol, organic acid, carbohydrate, amide-based hydrogen bond donors of which 17 DESs are used to estimate the model parameters in the Genetic Algorithm paradigm with a root mean square deviation of 4.37%. A priori estimation of thermal conductivity is further reported for the remaining 60 DESs over the same temperature range, and the framework is established as a theoretical framework for estimating the thermal conductivity of DES.

Keywords: Deep eutectic solvent; Redlich–Kwong equation of state; Geometric similitude concept; Thermal conductivity; Genetic algorithm; Group contribution parameters

Full paper is available at www.springerlink.com.

DOI: 10.1007/s11696-023-03095-6

Chemical Papers 78 (1) 369–380 (2024)