Evaluation of new density based model to correlate the solubilities of ricinoleic acid, methyl ricinoleate and methyl 10-undecenoate in supercritical carbon dioxide

Garlapati

Razmimanesh

et al. 2022

Sci Rep

Knowing the solubility data of pharmaceutical compounds in supercritical carbon dioxide (ScCO2) is essential for nanoparticles formation by using supercritical technology. In this work, solubility of solid pantoprazole sodium sesquihydrate in ScCO2 is determined and reported at 308, 318, 328 and 338 K and at pressures between 12 and 27 MPa. The solubilities are ranged between 0.0301 $$\times$$ × 10–4 and 0.463 $$\times$$ × 10–4 in mole fraction. The determined solubilities are modelled with a new model using solid–liquid equilibrium criteria and the required activity coefficient is developed using regular solution theory. The measured solubilities data are also modelled with three recent and four conventional empirical models. The recent models used are, Alwi-Garlapati (AARD = 13.1%), Sodeifian et al. (14.7%), and Tippana-Garlapati (15.5%) models and the conventional models used are Chrastil (17.54%), reformulated Chrastil (16.30%), Bartle (14.1%) and Mendenz Santiago and Teja (MT) (14.9%) models. The proposed model is correlating the data with less than 14.9% and 16.23% in terms of AARD for temperature dependent and independent cases. Among exiting models, Mendez Santiago and Teja (MT) and Alwi-Garlapati models correlate the data better than other models (corresponding AARD% and AICc are 14.9, 13.1 and −518.89, −504.14, respectively). The correlation effectiveness of the models is evaluated in terms of Corrected Akaike’s Information Criterion (AICc). Finally, enthalpy of solvation and vaporization of pantoprazole sodium sesquihydrate are calculated and reported. The new model proposed in this study can be used for the combination of any complex compound with any supercritical fluid.

Section: Resultsmentioning

confidence: 99%

Solubility measurement and thermodynamic modeling of pantoprazole sodium sesquihydrate in supercritical carbon dioxide

Garlapati

Razmimanesh

et al. 2022

Sci Rep

“…Directly or indirectly all of them are derived based on thermodynamic frame work. The derived models make use of the basic concepts related to phase equilibrium criteria (solid–gas or solid–liquid), solvent–solute association theory, dilute solution theory, solution theory and Wilson model or any other model 37 . In fact, most of the literature models correlate the solubility of the solid solutes in ScCO 2 quite well.…”

Section: Introductionmentioning

confidence: 99%

Experimental solubility and thermodynamic modeling of empagliflozin in supercritical carbon dioxide

Garlapati

Razmimanesh

et al. 2022

Sci Rep

The solubility of empagliflozin in supercritical carbon dioxide was measured at temperatures (308 to 338 K) and pressures (12 to 27 MPa), for the first time. The measured solubility in terms of mole faction ranged from 5.14 × 10–6 to 25.9 × 10–6. The cross over region was observed at 16.5 MPa. A new solubility model was derived to correlate the solubility data using solid–liquid equilibrium criteria combined with Wilson activity coefficient model at infinite dilution for the activity coefficient. The proposed model correlated the data with average absolute relative deviation (AARD) and Akaike’s information criterion (AICc), 7.22% and − 637.24, respectively. Further, the measured data was also correlated with 11 existing (three, five and six parameters empirical and semi-empirical) models and also with Redlich-Kwong equation of state (RKEoS) along with Kwak-Mansoori mixing rules (KMmr) model. Among density-based models, Bian et al., model was the best and corresponding AARD% was calculated 5.1. The RKEoS + KMmr was observed to correlate the data with 8.07% (correspond AICc is − 635.79). Finally, total, sublimation and solvation enthalpies of empagliflozin were calculated.

Solubility, Extraction, and Nanoparticles Production in Supercritical Carbon Dioxide: A Mini‐Review

Usefi

2022

ChemBioEng Reviews

Supercritical carbon dioxide (SC‐CO2) is CO2 that is stored beyond its critical point of 7.4 MPa and 31.1 °C. Given the request for consumption of a green solvent for the environment, SC‐CO2 is widely utilized in chemical, food, and pharmaceutical industries. To design material and drug production processes using supercritical fluid (SCF) technology, knowledge of their solubility is important. Temperature and pressure are the main factors in the study of solubility. Solubility data are then evaluated using equation of state, semi‐empirical, and intelligence models to establish suitable correlations. SC‐CO2 is one of the most important materials used in SCFs to study solubility. Another application of SC‐CO2 is in the field of material extraction to reduce the consumption of organic solvents. Nanoparticles production in drug industry is another advantage of SC‐CO2. Micro and nanoparticles can be produced using SCF techniques. In this review, the applications of SC‐CO2 in drug solubility, extraction of valuable materials, and nanoparticles production for pharmaceutical processes are reported and discussed. Finally, the main challenges are explained.