Abstract
Solubility determination and prediction of azobenzene and anthraquinone derivatives in supercritical carbon dioxide (ScCO2) is a challenging and tedious task. Therefore, proper prediction of these solutes are quite important for application of ScCO2 technologies to dyeing industries. In this work, a new semi-empirical model is developed to correlate industrially important dye compounds solubility in ScCO2. The proposed model successfully correlated solute solubility of 22 industrial dye compounds in supercritical carbon dioxide (ScCO2). The correlating ability of the new model is compared with 16 existing literature solubility models in terms of various statistical parameters (AARD, R2, adj. R2, SSE, and RMSE). Furthermore, Akaike’s information criterion was employed to evaluate the relative goodness of the model. We found that the proposed model is correlating better than existing models considered.
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Abbreviations
- AARD (–):
-
Average absolute relative deviation
- Adj. R 2 (–):
-
Adjusted R2
- SSE (–):
-
Sum of squares due to error
- RMSE (–):
-
Root mean square error
- N i (–):
-
Number of data points
- Q (–):
-
Number of independent variables in each model
- R 2 (–):
-
Square of correlation coefficient
- S (kg m−3):
-
Solubility of compound
- T (K):
-
Temperature
- y (–):
-
Solubility of solute in mole fraction
- P (MPa):
-
The system pressure
- A0-M9 (–):
-
Parameter constants
- V s (–):
-
Molar volume
- ρ (kg m−3):
-
Density
- \(\emptyset\) (–):
-
Fugacity coefficient
- 2:
-
Solute
- c:
-
At critical point
- cal:
-
Calculated in mole fraction
- exp:
-
Experimental mole fraction
- r:
-
Reduced
- ref:
-
Reference
- scCO2 :
-
Supercritical CO2
- SCF:
-
Supercritical fluid
- AIC:
-
Akaike’s information criterion
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Acknowledgements
This work was partially supported by the Directorate of Higher Education of the project on “Fundamental Research of DRPM DIKTI”.
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Alwi, R.S., Garlapati, C. A new semi empirical model for the solubility of dyestuffs in supercritical carbon dioxide. Chem. Pap. 75, 2585–2595 (2021). https://doi.org/10.1007/s11696-020-01482-x
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DOI: https://doi.org/10.1007/s11696-020-01482-x