Study of the effects of methanol, ethanol and propanol alcohols as Co-solvents on the interaction of methimazole, propranolol and phenazopyridine with carbon dioxide in supercritical conditions by molecular dynamics

The Polar Cosolvent Effect on Caffeine Solvation in Supercritical CO2–Ethanol Mixtures: A Molecular Modeling Approach

“…Although SC CO 2 is quite efficient for the selective extraction of caffeine, the solubility of caffeine in this solvent is lower than that in liquid organic solvents. ,− Due to this, the use of a large amount of CO 2 during the extraction process is required, causing a substantial increase in operating costs. The addition of small amounts of polar cosolvents to nonpolar SCFs increases the polarity of the supercritical mixed solvent. − In this way, the solubility of polar solutes in these mixed solvents is higher than that in pure nonpolar SCFs. − A proper choice of the cosolvent used may control the selectivity and dissolution of specific polar compounds, thus making the CO 2 –cosolvent systems extremely useful in extraction processes. As a result, all of these features make the CO 2 –cosolvent mixtures promising and attractive alternatives to liquid and pure SC solvents in separation techniques.…”

Growth Pattern, Stability, and Properties of Complexes of C2H5OH and nCO2 (n = 1–5) Molecules: A Theoretical Study

“…Many experimental investigations showed that the addition of a small amount of cosolvents into the scCO 2 solvent resulted in an increase in the solubility of the solutes. − In particular, some alkanes were added to scCO 2 to dissolve the nonpolar compounds, whereas functional organic compounds or H 2 O were used for the polar ones. − Alcohols including methanol, ethanol, and propanol were extensively used as cosolvents to improve both solubility and selectivity processes. ,, According to Hosseini et al, the presence of alcohols as a cosolvent affects the shape of complexes formed, in which each alcohol has a different impact on the aggregation of CO 2 around the drugs . The solubility of Disperse Red 82 and modified Disperse Yellow 119 increases substantially up to 25-fold by adding 5% of ethanol cosolvent to the scCO 2 .…”

“…22−24 Alcohols including methanol, ethanol, and propanol were extensively used as cosolvents to improve both solubility and selectivity processes. 21,24,25 According to Hosseini et al, the presence of alcohols as a cosolvent affects the shape of complexes formed, in which each alcohol has a different impact on the aggregation of CO 2 around the drugs. 24 The solubility of Disperse Red 82 and modified Disperse Yellow 119 increases substantially up to 25-fold by adding 5% of ethanol cosolvent to the scCO 2 .…”

“…21,24,25 According to Hosseini et al, the presence of alcohols as a cosolvent affects the shape of complexes formed, in which each alcohol has a different impact on the aggregation of CO 2 around the drugs. 24 The solubility of Disperse Red 82 and modified Disperse Yellow 119 increases substantially up to 25-fold by adding 5% of ethanol cosolvent to the scCO 2 . 25 Vapor−liquid equilibria and critical properties of the CO 2 ••• ethanol binary mixture were experimentally investigated using a variety of experimental techniques and equipment.…”

Effects of Supercritical Carbon Dioxide Extraction (SC-CO2) on the content of tiliroside in the extracts from Tilia L. flowers

“…The use of a co-solvent or polar modifier has been enhanced by the solubility of the target compounds and increasing the selectivity of the extraction, allowing action at lower pressures [17,20]. Until now, methanol, ethanol, propanol and acetone have been used for this purpose [21,22]. The addition of small percentages (1-10%) of this polar co-solvents to carbon dioxide increase its extraction range to include more polar compounds [22,23].…”