{"title":"奥沙西泮在超临界二氧化碳中的溶解度：实验和建模","authors":"Adrián Rojas , Seyed Ali Sajadian , Fariba Razmimanesh , Gonzalo Aguila , Nadia Esfandiari , Abolghasem Jouyban","doi":"10.1016/j.fluid.2024.114165","DOIUrl":null,"url":null,"abstract":"<div><p>This study thoroughly investigates the solubility of oxazepam in supercritical carbon dioxide (SC-CO<sub>2</sub>) at temperatures of 308, 318, 328, and 338 K and pressures ranging from 12 to 30 MPa. The solubility measurements revealed a mole fraction of oxazepam ranging from 2.50 × 10<sup>−6</sup> to 7.13 × 10<sup>−5</sup>, with the highest solubility observed at 338 K and 30 MPa. The solubility data were effectively modeled using semi-empirical density-based models (Mendez-Santiago and Teja (MST), Chrastil, Bartle et al., Kumar and Johnston (K-J), and Alwi-Garlapati), two equations of state (Peng-Robinson and modified-Pazuki) and regular solution models. The K-J model emerged as the best fit for the experimental data, boasting the lowest Average Absolute Relative Deviation (AARD) value of 7.73 %. The Peng-Robinson equation of state outperformed the modified-Pazuki equation, with AARD values of 15.71 % and 18.15 %, respectively. The study's key finding is the low solubility of oxazepam in SC-CO<sub>2</sub>, which suggests that supercritical antisolvent techniques could be effectively employed for synthesizing nanoparticles of this pharmaceutical compound. These findings have practical implications as they provide valuable insights for optimizing drug formulation processes and demonstrate the potential of SC-CO<sub>2</sub> in pharmaceutical applications.</p></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"585 ","pages":"Article 114165"},"PeriodicalIF":2.8000,"publicationDate":"2024-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Solubility of oxazepam in supercritical carbon dioxide: Experimental and modeling\",\"authors\":\"Adrián Rojas , Seyed Ali Sajadian , Fariba Razmimanesh , Gonzalo Aguila , Nadia Esfandiari , Abolghasem Jouyban\",\"doi\":\"10.1016/j.fluid.2024.114165\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>This study thoroughly investigates the solubility of oxazepam in supercritical carbon dioxide (SC-CO<sub>2</sub>) at temperatures of 308, 318, 328, and 338 K and pressures ranging from 12 to 30 MPa. The solubility measurements revealed a mole fraction of oxazepam ranging from 2.50 × 10<sup>−6</sup> to 7.13 × 10<sup>−5</sup>, with the highest solubility observed at 338 K and 30 MPa. The solubility data were effectively modeled using semi-empirical density-based models (Mendez-Santiago and Teja (MST), Chrastil, Bartle et al., Kumar and Johnston (K-J), and Alwi-Garlapati), two equations of state (Peng-Robinson and modified-Pazuki) and regular solution models. The K-J model emerged as the best fit for the experimental data, boasting the lowest Average Absolute Relative Deviation (AARD) value of 7.73 %. The Peng-Robinson equation of state outperformed the modified-Pazuki equation, with AARD values of 15.71 % and 18.15 %, respectively. The study's key finding is the low solubility of oxazepam in SC-CO<sub>2</sub>, which suggests that supercritical antisolvent techniques could be effectively employed for synthesizing nanoparticles of this pharmaceutical compound. These findings have practical implications as they provide valuable insights for optimizing drug formulation processes and demonstrate the potential of SC-CO<sub>2</sub> in pharmaceutical applications.</p></div>\",\"PeriodicalId\":12170,\"journal\":{\"name\":\"Fluid Phase Equilibria\",\"volume\":\"585 \",\"pages\":\"Article 114165\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2024-06-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Fluid Phase Equilibria\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0378381224001419\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Fluid Phase Equilibria","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0378381224001419","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Solubility of oxazepam in supercritical carbon dioxide: Experimental and modeling
This study thoroughly investigates the solubility of oxazepam in supercritical carbon dioxide (SC-CO2) at temperatures of 308, 318, 328, and 338 K and pressures ranging from 12 to 30 MPa. The solubility measurements revealed a mole fraction of oxazepam ranging from 2.50 × 10−6 to 7.13 × 10−5, with the highest solubility observed at 338 K and 30 MPa. The solubility data were effectively modeled using semi-empirical density-based models (Mendez-Santiago and Teja (MST), Chrastil, Bartle et al., Kumar and Johnston (K-J), and Alwi-Garlapati), two equations of state (Peng-Robinson and modified-Pazuki) and regular solution models. The K-J model emerged as the best fit for the experimental data, boasting the lowest Average Absolute Relative Deviation (AARD) value of 7.73 %. The Peng-Robinson equation of state outperformed the modified-Pazuki equation, with AARD values of 15.71 % and 18.15 %, respectively. The study's key finding is the low solubility of oxazepam in SC-CO2, which suggests that supercritical antisolvent techniques could be effectively employed for synthesizing nanoparticles of this pharmaceutical compound. These findings have practical implications as they provide valuable insights for optimizing drug formulation processes and demonstrate the potential of SC-CO2 in pharmaceutical applications.
期刊介绍：
Fluid Phase Equilibria publishes high-quality papers dealing with experimental, theoretical, and applied research related to equilibrium and transport properties of fluids, solids, and interfaces. Subjects of interest include physical/phase and chemical equilibria; equilibrium and nonequilibrium thermophysical properties; fundamental thermodynamic relations; and stability. The systems central to the journal include pure substances and mixtures of organic and inorganic materials, including polymers, biochemicals, and surfactants with sufficient characterization of composition and purity for the results to be reproduced. Alloys are of interest only when thermodynamic studies are included, purely material studies will not be considered. In all cases, authors are expected to provide physical or chemical interpretations of the results.
Experimental research can include measurements under all conditions of temperature, pressure, and composition, including critical and supercritical. Measurements are to be associated with systems and conditions of fundamental or applied interest, and may not be only a collection of routine data, such as physical property or solubility measurements at limited pressures and temperatures close to ambient, or surfactant studies focussed strictly on micellisation or micelle structure. Papers reporting common data must be accompanied by new physical insights and/or contemporary or new theory or techniques.
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