Solubility of favipiravir (as an anti-COVID-19) in supercritical carbon dioxide: An experimental analysis and thermodynamic modeling

Seyed Ali Sajadian; Nedasadat Saadati Ardestani; Nadia Esfandiari; Mahshid Askarizadeh; Abolghasem Jouyban

doi:10.1016/j.supflu.2022.105539

Solubility of favipiravir (as an anti-COVID-19) in supercritical carbon dioxide: An experimental analysis and thermodynamic modeling

J Supercrit Fluids. 2022 Apr:183:105539. doi: 10.1016/j.supflu.2022.105539. Epub 2022 Feb 4.

Authors

Seyed Ali Sajadian^{1

2}, Nedasadat Saadati Ardestani³, Nadia Esfandiari⁴, Mahshid Askarizadeh⁴, Abolghasem Jouyban^{5

6}

Affiliations

¹ South Zagros Oil and Gas Production, National Iranian Oil Company, 7135717991 Shiraz, Iran.
² Department of Chemical Engineering, Faculty of Engineering, University of Kashan, 87317-53153 Kashan, Iran.
³ Department of Nanotechnology and Advanced Materials, Materials and Energy Research Center, 14155-4777 Karaj, Iran.
⁴ Department of Chemical Engineering, Marvdasht Branch, Islamic Azad University, Marvdasht, Iran.
⁵ Pharmaceutical Analysis Research Center and Faculty of Pharmacy, Tabriz University of Medical Sciences, Tabriz, Iran.
⁶ Faculty of Pharmacy, Near East University, PO BOX: 99138, Mersin 10, Nicosia, North Cyprus,Turkey.

Abstract

Favipiravir is one of the most commonly prescribed drugs in the treatment of COVID-19 in the early stages of the disease. In this work, the solubility of favipiravir was measured in supercritical CO₂ at temperatures ranging from 308 to 338 K and pressures ranging from 12 to 30 MPa. The mole fraction solubility of favipiravir was in the range of 3.0 × 10^-6 to 9.05 × 10^-4. The solubility data were correlated with three types of methods including; (a) density-based models (Chrastil, Garlapati and Madras, Sparks et al., Sodeifian et al., K-J and Keshmiri et al.), (b) Equations of states SRK with quadratic mixing rules) and (c) expanded liquid theory (modified Wilson model). According to the results, modified Wilson and K-J models are generally capable of providing good correlation of solubility. Finally, the approximate values of total ( ${Δ H}_{total}$ ), vaporization ( ${Δ H}_{vap}$ ), and solvation ( ${Δ H}_{sol}$ ) enthalpies were computed.

Keywords: Empirical model; Equation of state (EoS); Expanded liquid theory; Favipiravir solubility; Simulated annealing; Supercritical carbon dioxide (SC-CO2).