Semi-empirical models and a cubic equation of state for correlation of solids solubility in scCO2: Dyes and calix[4]arenes as illustrative examples

Coelho, José Augusto Paixão; Filipe, Rui M.; Naydenova, Greta P.; Yankov, D.; Stateva, Roumiana P.

doi:10.1016/j.fluid.2016.01.026

Cited by 22 publications

(4 citation statements)

References 39 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Carbon dioxide is the most commonly used SCF because it is environmentally benign, nontoxic, nonflammable, cheap, and readily available. As a green solvent, supercritical carbon dioxide (scCO 2 ) finds applications in many conventional and novel emerging technologies such as dry dyeing processing techniques, which operate without wastewater emissions, efficient environmentally friendly and benign new green biotechnological processes, and so forth [1,2]. The accurate knowledge of the phase behavior of the systems involved and, in particular, of the solubility of the solid solutes in high-pressure scCO 2 is crucial to the design, optimization, and operation of such processes.…”

Section: Introductionmentioning

confidence: 99%

Semi-empirical correlation of solid solute solubility in supercritical carbon dioxide: Comparative study and proposition of a novel density-based model

Belghait

Si‐Moussa

Laidi

et al. 2018

Comptes Rendus. Chimie

View full text Add to dashboard Cite

A comprehensive data set on experimental solubility of 210 solid solutes in supercritical CO 2 counting 5550 data points has been used for comparison of the correlation performance of 21 empirical models. On the basis of the comparison results a new eightparameter density-based model has been proposed. The comparison shows that the three-parameter models are the least accurate. The results also show that models that relate the logarithm of the solubility to the logarithm of solvent density and temperature are more accurate than models that include the pressure. When comparing the overall correlating performance in terms of average absolute relative deviation the proposed model is by far the best with an average absolute relative deviation lying in the range 0.17 e81.99% and an average value of 8.88%.

show abstract

Section: Introductionmentioning

confidence: 99%

Semi-empirical correlation of solid solute solubility in supercritical carbon dioxide: Comparative study and proposition of a novel density-based model

Belghait

Si‐Moussa

Laidi

et al. 2018

Comptes Rendus. Chimie

View full text Add to dashboard Cite

show abstract

“…However, disadvantages associated to this type of equation are many, even when solubility data are available because it is important(in the majority of cases) to insert other adjustable parameters [ 10 , 33 , 34 ]. The results of predicting solubility data in SC CO 2 using cEoSs related to different mixing rules are affected by the estimation of some physical properties as acentric factors, critical constants and sublimation pressures of the solid drugs [ 35 ]. Here, the focus is on the sublimation pressure of Penicillin G and Penicillin V , which is the principal influencer on solubility and considered as an ad hoc adjustable parameter.…”

Section: Introductionmentioning

confidence: 99%

Penicillins’ Solubility in Supercritical Carbon Dioxide: Modeling by Cubic Equations of States Revisited

Nasri¹

2021

Antibiotics

View full text Add to dashboard Cite

Development of processes using green solvents as supercritical fluids (SCFs) depends on the accuracy of modeling and predicting phase equilibrium which is of considerable importance to exploit the use of SCF process at the level of pharmaceutical industries. Solid-Fluid equilibrium modeling is associated to many drawbacks when compressed gas-based models as cubic equations of states (cEoSs) are used. The unavailability of experimental values of solute’s sublimation pressure presents one of the major obstacles to the solubility modeling with this type of models, and thus, its estimation is essential and inevitable. This work is an attempt to address a question regarding “accurate estimated value” of sublimation pressure of two antibiotics Penicillin G (benzyl penicillin) and Penicillin V (phenoxymethyl penicillin). Toward that, first, cEoSs are provided as the thermodynamics modeling framework and fundamental approach. Second, a discussion and a review of some literature results are given. Third, results are invoked to present a criticism analysis that comes from the use of modified form of Peng-Robinson (PR) equation of states. Finally, considerable improvement of modeling results by using a new sublimation pressure is shown.

show abstract

“…In fact, these models are more accurate than other methods and present mathematical relationships based on experimental data. Many research papers have been conducted to determine the solubility using the semi‐empirical models, leading to satisfactory results . In comparison to semi‐empirical models, determining the solubility using equations‐of‐state is more complex and more data on solute properties are needed.…”

Section: Introductionmentioning

confidence: 99%

Effect of Stearic Acid as a Co‐solvent on the Solubility Enhancement of Aspirin in Supercritical CO₂

2019

View full text Add to dashboard Cite

The solubility of aspirin in supercritical CO 2 (SC-CO 2 ) with stearic acid as a co-solvent was measured at various pressures and temperatures. The experimental data were obtained by a static method. Stearic acid had a significant effect on the enhancement of solubility, as the aspirin solubility increased by up to 16 times. Further, the effect of stearic acid on the solubility enhancement of aspirin was compared with that of other co-solvents. Different semi-empirical models from the literature were applied for correlating the experimental data, proving good agreement with the experimental data. The model of Sung and Shim exhibited the lowest deviation from the obtained data. The results of the solubility test can be employed to produce aspirin-based pharmaceuticals using supercritical fluid technology (SFT).

show abstract

Semi-empirical models and a cubic equation of state for correlation of solids solubility in scCO2: Dyes and calix[4]arenes as illustrative examples

Cited by 22 publications

References 39 publications

Semi-empirical correlation of solid solute solubility in supercritical carbon dioxide: Comparative study and proposition of a novel density-based model

Semi-empirical correlation of solid solute solubility in supercritical carbon dioxide: Comparative study and proposition of a novel density-based model

Penicillins’ Solubility in Supercritical Carbon Dioxide: Modeling by Cubic Equations of States Revisited

Effect of Stearic Acid as a Co‐solvent on the Solubility Enhancement of Aspirin in Supercritical CO₂

Contact Info

Product

Resources

About

Semi-empirical models and a cubic equation of state for correlation of solids solubility in scCO2: Dyes and calix[4]arenes as illustrative examples

Cited by 22 publications

References 39 publications

Semi-empirical correlation of solid solute solubility in supercritical carbon dioxide: Comparative study and proposition of a novel density-based model

Semi-empirical correlation of solid solute solubility in supercritical carbon dioxide: Comparative study and proposition of a novel density-based model

Penicillins’ Solubility in Supercritical Carbon Dioxide: Modeling by Cubic Equations of States Revisited

Effect of Stearic Acid as a Co‐solvent on the Solubility Enhancement of Aspirin in Supercritical CO2

Contact Info

Product

Resources

About

Effect of Stearic Acid as a Co‐solvent on the Solubility Enhancement of Aspirin in Supercritical CO₂