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A new model and estimation of thermodynamic parameters for the solubility of azobenzene and anthraquinone derivatives in supercritical carbon dioxide

Ratna Surya Alwi and Chandrasekhar Garlapati

Department of Chemical Engineering, Fajar University, Makassar, Indonesia



Received: 13 February 2021  Accepted: 28 April 2021


Proper measurement and correlation/prediction of solubility data of dye compounds (azobenzene and anthraquinone derivatives) in supercritical carbon dioxide (ScCO2) are essential in the development supercritical dyeing technology. Ample data are available for several dye compounds in the literature, but models that are satisfactorily correlating/predicting solubility data are rare. Therefore, in this study, a simple model is developed for the solubility (\(y_{2}\)) in terms of reduced temperature (\(T_{{\text{r}}}\)) and reduced density (\(\rho_{{\text{r}}}\)) to correlate industrially important dye compounds solubility in ScCO2. The proposed model is \( y_{2} = A + \left( {B + C\rho_{{\text{r}}} } \right)T_{{\text{r}}} + \left( {D + E\rho_{{\text{r}}} } \right)\rho_{{\text{r}}} T_{{\text{r}}}^{2} + F\rho_{{\text{r}}}^{2 } T_{{\text{r}}}^{3}\). The performance ability of the new model is compared with number of existing literature solubility models in terms of various statistical parameters of (AARD, R2, Adj. R2, SSE, and RMSE) as well as Akaike’s Information Criterion (AIC). Moreover, thermodynamic parameters such as sublimation pressure (\(P_{{{\text{sub}}}}\)), sublimation enthalpy (\(\Delta H_{{{\text{sub}}}}\)) and enthalpy of solvation (\(\Delta H_{{{\text{sol}}}}\)) were estimated for anthraquinone and azobenzene derivatives. It was found the proposed model is correlating better than existing models.

Keywords: Anthraquinone; Azobenzene; Akaike’s Information Criterion (AIC); Empirical model; Solubilities; Supercritical carbon dioxide; Thermodynamic parameters

Full paper is available at

DOI: 10.1007/s11696-021-01688-7


Chemical Papers 75 (9) 4589–4610 (2021)

Monday, April 15, 2024

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