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VOL. 9, ISSUE 1 (2025)
Unveiling the structural influence of butanol isomers on choline chloride–urea deep eutectic solvents through experimental and computational methods
Authors
Omshubham Kedia, Janvi Patel, Ankit Shah
Abstract
As a potentially useful alternative to volatile organic solvents, deep
eutectic solvents (DESs), which are renowned for the distinctive
physicochemical qualities they possess, have recently come into existence.
Organic solvents can be strategically added in order to get the desired effect
of fine-tuning these properties. We conducted a study in which we examined the
densities (ρ) of binary mixtures that were composed of DES and butanol isomers.
These mixes included 1-butanol (primary), 2-methyl-1-propanol (secondary), and
2-methyl-2-propanol (tertiary) butanols. The pressure used in this study was
0.1 MPa, and the temperature range employed was from 293.15 K to 323.15 K. For
the preparation of the DES, choline chloride (ChCl) and urea were combined in a
certain molar ratio. ChCl was used as the hydrogen bond acceptor (HBA), and
urea was used as the hydrogen bond donor (HBD). The data obtained from the
experiment were utilized to compute the excess molar volume (Vₘ^E), which was
subsequently assessed by the application of the Redlich–Kister polynomial
equation. The fact that the values of Vₘ^E were found to be negative suggested
that the interactions between DES and butanol isomers were more powerful than
the interactions between DES and DES or between butanol and butanol in the
binary systems. In order to gain a deeper comprehension of the deviation from
optimal behavior, the Prigogine-Flory-Patterson (PFP) theory and the Extended
Real Associated Solution (ERAS) model were utilized. These combinations have
the potential to be used in commercial applications and for the construction of
predictive DES models, as demonstrated by the results, which revealed
significantly negative excess molar volumes across the entire composition
range.
Pages:23-32
How to cite this article:
Omshubham Kedia, Janvi Patel, Ankit Shah "Unveiling the structural influence of butanol isomers on choline chloride–urea deep eutectic solvents through experimental and computational methods". International Journal of Chemical Science, Vol 9, Issue 1, 2025, Pages 23-32
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