Zohra Laggoune , Yasmine Masmoudi , Seyed Ali Sajadian , Elisabeth Badens
{"title":"西罗莫司在超临界二氧化碳中的溶解度:测量和模拟","authors":"Zohra Laggoune , Yasmine Masmoudi , Seyed Ali Sajadian , Elisabeth Badens","doi":"10.1016/j.jcou.2025.103034","DOIUrl":null,"url":null,"abstract":"<div><div>The solubility of drugs in supercritical carbon dioxide is a key parameter in their processing. This study focuses on sirolimus, an immunosuppressive drug used in organ transplantation. Its solubility in supercritical carbon dioxide was measured using a static gravimetric method. Measurements were carried out at pressures ranging from 12.5 MPa to 25.0 MPa and temperatures from 313 K to 328 K. The findings revealed a molar fraction range of sirolimus between 1.20 × 10<sup>−6</sup> and 2.73 × 10<sup>−6</sup> and a direct solubility behavior in the investigated domain. The experimental data were correlated using several models. These included semi-empirical density-based models (Chrastil, Mendez-Santiago and Teja, Bartle <em>et al</em>., Kumar and Johnston, Sparks <em>et al</em>., and Sodeifian <em>et al</em>.), as well as equation of state-based models (Soave-Redlich-Kwong and Peng-Robinson). The results indicated that Sparks <em>et al</em>. and Soave-Redlich-Kwong showed the lowest average absolute relative deviation (AARD%) and the corrected correlation coefficient (R<sub>adj</sub>) of 4.12 %, 0.978 and 05.18 %, 0.980 respectively.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103034"},"PeriodicalIF":8.4000,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Sirolimus solubility in supercritical carbon dioxide: Measurement and modeling\",\"authors\":\"Zohra Laggoune , Yasmine Masmoudi , Seyed Ali Sajadian , Elisabeth Badens\",\"doi\":\"10.1016/j.jcou.2025.103034\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The solubility of drugs in supercritical carbon dioxide is a key parameter in their processing. This study focuses on sirolimus, an immunosuppressive drug used in organ transplantation. Its solubility in supercritical carbon dioxide was measured using a static gravimetric method. Measurements were carried out at pressures ranging from 12.5 MPa to 25.0 MPa and temperatures from 313 K to 328 K. The findings revealed a molar fraction range of sirolimus between 1.20 × 10<sup>−6</sup> and 2.73 × 10<sup>−6</sup> and a direct solubility behavior in the investigated domain. The experimental data were correlated using several models. These included semi-empirical density-based models (Chrastil, Mendez-Santiago and Teja, Bartle <em>et al</em>., Kumar and Johnston, Sparks <em>et al</em>., and Sodeifian <em>et al</em>.), as well as equation of state-based models (Soave-Redlich-Kwong and Peng-Robinson). The results indicated that Sparks <em>et al</em>. and Soave-Redlich-Kwong showed the lowest average absolute relative deviation (AARD%) and the corrected correlation coefficient (R<sub>adj</sub>) of 4.12 %, 0.978 and 05.18 %, 0.980 respectively.</div></div>\",\"PeriodicalId\":350,\"journal\":{\"name\":\"Journal of CO2 Utilization\",\"volume\":\"93 \",\"pages\":\"Article 103034\"},\"PeriodicalIF\":8.4000,\"publicationDate\":\"2025-03-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of CO2 Utilization\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2212982025000186\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/2/15 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of CO2 Utilization","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2212982025000186","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/2/15 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Sirolimus solubility in supercritical carbon dioxide: Measurement and modeling
The solubility of drugs in supercritical carbon dioxide is a key parameter in their processing. This study focuses on sirolimus, an immunosuppressive drug used in organ transplantation. Its solubility in supercritical carbon dioxide was measured using a static gravimetric method. Measurements were carried out at pressures ranging from 12.5 MPa to 25.0 MPa and temperatures from 313 K to 328 K. The findings revealed a molar fraction range of sirolimus between 1.20 × 10−6 and 2.73 × 10−6 and a direct solubility behavior in the investigated domain. The experimental data were correlated using several models. These included semi-empirical density-based models (Chrastil, Mendez-Santiago and Teja, Bartle et al., Kumar and Johnston, Sparks et al., and Sodeifian et al.), as well as equation of state-based models (Soave-Redlich-Kwong and Peng-Robinson). The results indicated that Sparks et al. and Soave-Redlich-Kwong showed the lowest average absolute relative deviation (AARD%) and the corrected correlation coefficient (Radj) of 4.12 %, 0.978 and 05.18 %, 0.980 respectively.
期刊介绍:
The Journal of CO2 Utilization offers a single, multi-disciplinary, scholarly platform for the exchange of novel research in the field of CO2 re-use for scientists and engineers in chemicals, fuels and materials.
The emphasis is on the dissemination of leading-edge research from basic science to the development of new processes, technologies and applications.
The Journal of CO2 Utilization publishes original peer-reviewed research papers, reviews, and short communications, including experimental and theoretical work, and analytical models and simulations.