在超临界二氧化碳中测量代因酸盐 (止痛药) 溶解度的研究和建模
Gholamhossein Sodeifian1,2,3, Chandrasekhar Garlapati4, Maryam Arbab Nooshabadi5
1Department of Chemical Engineering, Faculty of Engineering, University of Kashan, Kashan, 87317-53153, Iran. sodeifian@kashanu.ac.ir.
Scientific reports
|November 29, 2023
概括
在超临界二氧化碳 (SC-CO2) 中测量和建模了可代因酸盐的可溶性. 扩展液体模型 (ELM) 准确地关联了可溶性数据,最好的模型显示了8.89%的AARD%.
科学领域:
- 化学工程是化学工程的重要组成部分.
- 物理化学 物理化学
- 药理学 药理学是指药理学的学科.
背景情况:
- 酸代是一种常见的止痛药.
- 超临界二氧化碳 (SC-CO2) 是一种可调节的溶剂,具有潜在的制药应用.
- 了解在SC-CO2中的药物溶解度对于开发先进的药物输送系统至关重要.
研究的目的:
- 测量可代因酸盐在SC-CO2中的可溶性,在各种温度和压力范围内.
- 用各种热力学模型建模实验溶解度数据.
- 评估不同模型在预测可代因酸盐溶解度方面的性能.
主要方法:
- 在308K至338K的温度和12MPa至27MPa的压力下,测量了在SC-CO2中可代因酸盐的可溶性.
- 使用-罗宾逊状态方程和几种密度模型 (Chrastil,Mendez-Santiago和Teja,Bartle等人,Sodeifian等人,Reddy-Garlapati) 建模溶解度.
- 应用和评估三种形式的扩展液体模型 (ELM) 用于关联可溶性数据.
主要成果:
- 在SC-CO2中的可代因酸盐溶解度从1.297 × 10−5到6.502 × 10−5摩尔分数不等.
- 平均溶解被计算为-16.97 kJ/mol.
- ELM提供了令人满意的相关性,最佳模型实现了8.89%的AARD%和-589.79.7的AICc.
结论:
- 该研究成功量化了在SC-CO2中可代因酸盐的溶解度.
- 在SC-CO2中,ELM显示出对可代因酸盐溶解度的强有力的预测能力.
- 这些发现支持使用SC-CO2作为处理可代因酸盐的溶剂.
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