A Novel Equation of State: Determination and Validation for Dyes and Drugs Solubility Calculations in Supercritical Carbon Dioxide

Milad Asgarpour Khansary,Hadi Dalirsefat,Hossein Shahbeig,Amin Arif,Ahmad Hallaji Sani,Mohammad Ali Salehi

doi:10.3311/ppch.7436

Milad Asgarpour Khansary, Hadi Dalirsefat + Show 4 more

Open Access

https://doi.org/10.3311/ppch.7436

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Abstract

Based on Pitzer correlations for the compressibility factor and virial equation of state, a new equation of state has been developed in this study, which is a function of total number of atoms present in the solute molecule, normal boiling point temperature and reduced temperature. Thirty dyes and sixty drugs solubility data, 2417 data points, have been collected from literature and compared with the Peng-Robinson EOS plus the two adjustable parameters van der Waals mixing rules, and the new proposed EOS. As the results show, the proposed EOS presents more accurate predictions for solubility data in Supercritical Carbon Dioxide.

Highlights

Supercritical fluid processes have been attracted considerable attentions in recent years
It can be concluded that the proposed EOS presented more accurate result for solubility prediction and correlation in supercritical carbon dioxide
It can be concluded that the new EOS is more successful in solubility correlation than Peng-Robinson equation of state (PR-EOS)

Summary

Introduction

Supercritical fluid processes have been attracted considerable attentions in recent years. This technology is increasingly applied in chemical and petroleum, pharmaceutical, food, biotechnology, biomedical, nuclear, material and polymer processing industries [1-18]. Mathematical modeling leads to different equations of solubility data in supercritical carbon dioxide. These models are classified into two groups: theoretical or semi-empirical equations (such as models based on equations of state), and empirical equations (such as density based equations). Some researchers tend to use empirical correlations such as density-based correlations [26-28] or the Ziger–Eckert semiempirical correlations [29] These models are based on the simple error minimization and they use only density of pure supercritical carbon dioxide and operational pressure and temperature.

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