10.1021/acs.jced.9b00997.s001
Tian Yao
Tian
Yao
Kaifeng Du
Kaifeng
Du
Measurement and Correlation of Solubility of Benzothiazolium
Ionic Liquids in Ethanol + Ethyl Benzoate
American Chemical Society
2020
equilibrium method
ethyl benzoate solvents
prediction results
TSA
Apelblat equation
λ h model
x sol
Ethyl Benzoate
temperature range
purification process
calculation method
self-created correlation equations
HBth
λ h equation
293.7 K
Apelblat model
IL
solubility prediction
correlation results
solubility data
2020-01-10 12:36:33
Journal contribution
https://acs.figshare.com/articles/journal_contribution/Measurement_and_Correlation_of_Solubility_of_Benzothiazolium_Ionic_Liquids_in_Ethanol_Ethyl_Benzoate/11568036
The
solubilities of benzothazolium-based ionic liquids (ILs) [HBth][BF<sub>4</sub>], [HBth][CH<sub>3</sub>SO<sub>3</sub>], and [HBth][<i>p</i>-TSA] in binary ethanol + ethyl benzoate solvents were
measured using the equilibrium method with the temperature range from
233.2 to 293.7 K at atmospheric pressure. Results of these measurements
were correlated by both λ<i>h</i> equation and the
modified Apelblat equation. It was found that both models gave satisfactory
correlation results. In the λ<i>h</i> model, the average
relative deviations were 0.7145, 0.7845, and 0.8119% for [HBth][BF<sub>4</sub>], [HBth][CH<sub>3</sub>SO<sub>3</sub>], and [HBth][<i>p</i>-TSA], respectively. Interestingly, the parameters of λ
and <i>h</i> for the λ<i>h</i> model and <i>A</i>, <i>B</i>, and <i>C</i> for the modified
Apelblat model were simultaneously expressed as functions of solvent
composition (<i>x</i><sub>sol</sub>) for the first time.
Furthermore, solubilities of these three ILs in the binary system
were predicted through these two sets of self-created correlation
equations with ideal performances. The total average relative deviations
were less than 2.2% for both models. These successful in-depth correlations
and validated prediction results have guaranteed the accuracy of experimental
solubility data and provide us a reliable method for accurate solubility
prediction at any temperature with any solvent composition. This developed
calculation method in this report lays a foundation for accurate industrial
recovery of ILs and gives us valuable guidance for the design of the
specific purification process to acquire desired purity of the product
in industrial production.