Sirolimus solubility in supercritical carbon dioxide: Measurement and modeling

IF 8.4 2区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Journal of CO2 Utilization Pub Date : 2025-03-01 Epub Date: 2025-02-15 DOI:10.1016/j.jcou.2025.103034
Zohra Laggoune , Yasmine Masmoudi , Seyed Ali Sajadian , Elisabeth Badens
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Abstract

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.
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西罗莫司在超临界二氧化碳中的溶解度:测量和模拟
药物在超临界二氧化碳中的溶解度是其加工过程中的一个关键参数。这项研究的重点是西罗莫司,一种用于器官移植的免疫抑制药物。用静态重量法测定了其在超临界二氧化碳中的溶解度。测量的压力范围为12.5 MPa至25.0 MPa,温度范围为313 K至328 K。结果表明,西罗莫司的摩尔分数范围在1.20 × 10−6和2.73 × 10−6之间,并且在所研究的结构域中具有直接的溶解性。用几种模型对实验数据进行了关联。其中包括基于密度的半经验模型(christel, Mendez-Santiago和Teja, Bartle等人,Kumar和Johnston, Sparks等人,以及Sodeifian等人),以及基于状态方程的模型(Soave-Redlich-Kwong和Peng-Robinson)。结果表明,Sparks等和Soave-Redlich-Kwong的平均绝对相对偏差(AARD%)和校正相关系数(Radj)最低,分别为4.12 %、0.978和05.18 %、0.980。
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来源期刊
Journal of CO2 Utilization
Journal of CO2 Utilization CHEMISTRY, MULTIDISCIPLINARY-ENGINEERING, CHEMICAL
CiteScore
13.90
自引率
10.40%
发文量
406
审稿时长
2.8 months
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.
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