Experimental measurement and correlation of solubility of ethosuximide in supercritical carbon dioxide

Zha, Xianjun; Han, Sai; Wang, Weifang; Jiao, Zhen

doi:10.1016/j.jct.2018.10.032

Cited by 11 publications

(7 citation statements)

References 49 publications

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“…In this study, a high-pressure apparatus equipped with a variable-volume visual cell was used to observe the cloud point of the system. The experimental equipment has been detailed, as described in our previous articles. − …”

Section: Experimental Sectionmentioning

confidence: 99%

“…Each data value was the average of three experiments. In addition, the reliability of the experimental apparatus has been determined in our previous studies. − where y is the solubility of paeonol in mole fraction; n p and n c are the moles of paeonol and carbon dioxide charged in the view cell, respectively.…”

Section: Experimental Sectionmentioning

confidence: 99%

“…A lot of methods have been developed to determine the solubility of compounds in ScCO 2 . Among them, the cloud point method is an easy and effective way to determine the solubility, and it has been applied to measure the solubilities of compounds in ScCO 2 by a lot of researchers, − as well as by our previous studies. − …”

Section: Introductionmentioning

confidence: 99%

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Measurement and Correlation of Paeonol Solubility in Supercritical Carbon Dioxide

et al. 2019

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Paeonol shows a wide range of pharmacological activities in the pharmaceutical industry. In this study, the solubility of paeonol in supercritical carbon dioxide (ScCO2) is determined by measuring the cloud-point pressures of the binary system in a high-pressure variable-volume view cell at various temperatures (i.e., 313.2, 318.2, 323.2, 328.2, 333.2 K) and pressure range of 8–15 MPa. The results show that paeonol has good solubility in ScCO2, and the solubility increases obviously with decreasing temperature and increasing pressure in the experimental range. Then, four density-based models, namely, Bartle, Méndez-Santiago and Teja, Ch and Madras, and Gordillo, are employed to correlate and predict the solubility data. The relevant average absolute relative deviation values of Bartle, Méndez-Santiago and Teja, Ch and Madras, and Gordillo are 9.05, 9.37, 8.75, and 8.49%, respectively, indicating that the models can well predict the solubility data.

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Section: Experimental Sectionmentioning

confidence: 99%

Section: Experimental Sectionmentioning

confidence: 99%

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Measurement and Correlation of Paeonol Solubility in Supercritical Carbon Dioxide

et al. 2019

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“…5−7 Although there are several methods for experimentally determining the solubility of the substances, correlations and mathematical models are often used to predict the solubility of different compounds in ScCO 2 on the account of the high measuring cost. 8 Generally, the models used for correlating the solubility data can be broadly classified as equation of state (EOS)-based models and semiempirical models. EOS-based models, like cubic equations of state or perturbation equations, need complicated computational methods and data for many physical properties.…”

Section: Introductionmentioning

confidence: 99%

“…a 2 pressure pump,(7,10,15) stop valves,(8,11,12,16,20) temperature controller, (9) thermos band, (14) high pressure autoclave, (17) cosolvent tank, (18) plunger pump, (19) deionized water, (21) water bath, (22) micrometering valve, (23) heater band, (24) primary absorber, (25) two-stage absorber, (26) separator, (27) outlet valve, (28) mass flowmeter.…”

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confidence: 99%

Experimental Determination and Association Model for the Solubility of Laminarin in Supercritical Carbon Dioxide

et al. 2020

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Laminarin is a kind of polysaccharide extracted from kelp, which has immunomodulatory, anti-tumor, hypoglycemic, and antioxidation effects. Laminarin extraction from kelp and encapsulation with polymers in supercritical carbon dioxide (ScCO 2 ) are a green and efficient process. The solubilities of laminarin in ScCO 2 are one of basic parameters in the process. By using the method of dynamic and static combination, the solubilities of laminarin in ScCO 2 with or without the ethanol as a cosolvent were measured under the temperatures of 308.15, 313.15, and 318.15 K and the pressures from 10.0 to 16.0 MPa. The effects of the operating parameters including the pressure, temperature, and content of a cosolvent on the solubility of laminarin in ScCO 2 were investigated experimentally. The solubilities obtained from the experiments were correlated by using Chrastil, Meńdez-Santiago Teja (M-S T), Del Valle and Aguilera (D-A), Bartle, Thakur-Gupta (T-G), and M-Mendez-Santiago-Teja-Thakur-G (M-MST-TG) models, respectively. The results showed that the calculated values by the models fitted were in good agreement with the experimental ones. The average absolute relative deviations (AARD (%)) without a cosolvent were 4.

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QSPR Modelling of the Solubility of Drug and Drug‐like Compounds in Supercritical Carbon Dioxide

Euldji

Si‐Moussa

Hamadache

et al. 2022

Molecular Informatics

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Quantitative structure–property relationship (QSPR) modeling was investigated to predict drug and drug‐like compounds solubility in supercritical carbon dioxide. A dataset of 148 drug\drug‐like compounds, accounting for 3971 experimental data points (EDPs), was collected and used for modelling the relationship between selected molecular descriptors and solubility fraction data achieved by a nonlinear approach (Artificial neural network, ANN) based on molecular descriptors. Experimental solubility data for a given drug were published as a function of temperature and pressure. In the present study, 11 significant PaDEL descriptors (AATS3v, MATS2e, GATS4c, GATS3v, GATS4e, GATS3 s, nBondsM, AVP‐0, SHBd, MLogP, and MLFER_S), the temperature and the pressure were statistically proved to be sufficient inputs. The architecture of the optimized model was found to be {13,10,1}. Several statistical metrics, including average absolute relative deviation (AARD=3.7748 %), root mean square error (RMSE=0.5162), coefficient of correlation (r=0.9761), coefficient of determination (R2=0.9528), and robustise (Q2=0.9528) were used to validate the obtained model. The model was also subjected to an external test by using 143 EDPs. Sensitivity analysis and domain of application were examined. The overall results confirmed that the optimized ANN‐QSPR model is suitable for the correlation and prediction of this property.

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Experimental measurement and correlation of solubility of ethosuximide in supercritical carbon dioxide

Cited by 11 publications

References 49 publications

Measurement and Correlation of Paeonol Solubility in Supercritical Carbon Dioxide

Measurement and Correlation of Paeonol Solubility in Supercritical Carbon Dioxide

Experimental Determination and Association Model for the Solubility of Laminarin in Supercritical Carbon Dioxide

QSPR Modelling of the Solubility of Drug and Drug‐like Compounds in Supercritical Carbon Dioxide

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