間乙醯胺基酚與吡非尼酮於超臨界二氧化碳中之溶解度量測;Measurement and Correlation of Metacetamol and Pirfenidone Solubility in Supercritical Carbon Dioxide

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Title:	間乙醯胺基酚與吡非尼酮於超臨界二氧化碳中之溶解度量測;Measurement and Correlation of Metacetamol and Pirfenidone Solubility in Supercritical Carbon Dioxide
Authors:	楊詠鈞;Yang, Yung-Chun
Contributors:	化學工程與材料工程學系
Keywords:	超臨界二氧化碳;溶解度;間乙醯胺基酚;吡非尼酮;半經驗式;熱力學模型;Supercritical CO2;Solubility;Metacetamol;Pirfenidone;Semi-empirical models;Thermodynamic models
Date:	2025-07-26
Issue Date:	2025-10-17 11:28:05 (UTC+8)
Publisher:	國立中央大學
Abstract:	本研究採用一套高壓半流動式裝置，於溫度313.2 K、323.2 K及333.2 K，以及壓力範圍12 MPa～22 MPa之條件下，測量間乙醯胺基酚（Metacetamol）在超臨界二氧化碳中的溶解度。間乙醯胺基酚為與具有活性藥物成分（API）之左氧氟沙星（Levofloxacin）形成共晶所使用之共構物（Coformer）。此外，本研究亦利用同一裝置，測量治療特發性肺纖維化之藥物吡非尼酮（Pirfenidone）在溫度313.2 K、323.2 K、333.2 K以及壓力範圍10 MPa～22 MPa條件下於超臨界二氧化碳中之溶解度。在每組特定的溫度與壓力條件下，皆進行三次獨立的溶解度實驗，以確保測量結果之再現性。所得結果顯示，間乙醯胺基酚與吡非尼酮之溶解度測量，其變異係數分別控制於5.41%與6.26%以內。於實驗條件範圍內，間乙醯胺基酚的莫耳分率溶解度介於8.00×10-7至7.32×10-6之間；吡非尼酮則介於3.92×10-5至1.77×10-3之間。兩者對應的溶解度測量不準確度分別為5.85%與4.75%。為進一步分析溶解行為並驗證實驗數據的可靠性，本研究採用四種常用之半經驗式模型進行數據迴歸與自身一致性檢測，包括Chrastil模型、Mendez-Santiago and Teja（MST）模型、Kumar and Johnston（K-J）模型，以及Bartle模型。迴歸結果顯示，間乙醯胺基酚與吡非尼酮在各模型下的平均絕對相對誤差（AARD）分別落在2.64%～6.73%與3.39%～13.6%的範圍內，並且在一致性檢測中皆呈現良好之線性關係，顯示所測得之溶解度數據具備高度可信度。此外，本研究亦採用基於Peng-Robinson方程式（PR EOS）並結合van der Waals和MHV1混合規則之熱力學模型進行數據迴歸，其結果顯示間乙醯胺基酚與吡非尼酮的平均絕對相對誤差與使用半經驗模型迴歸結果相近，進一步驗證了本研究實驗數據之準確性與可靠性。;In this study, a high-pressure semi-flow apparatus was used to measure the solubility of metacetamol and pirfenidone in supercritical CO₂ at temperatures of 313.2, 323.2, and 333.2 K. The pressure range was 12 to 22 MPa for metacetamol and 10 to 22 MPa for pirfenidone. Metacetamol acts as a coformer for levofloxacin cocrystals, while pirfenidone is used to treat idiopathic pulmonary fibrosis. To ensure the reproducibility of the results, three independent experiments were performed under each temperature and pressure condition, with coefficients of variation controlled within 5.41% and 6.26%, respectively. The solubility of metacetamol ranged from 8.00×10-7 to 7.32×10-6 mole fraction, and pirfenidone from 3.92×10-5 to 1.77×10-3, with measurement uncertainties of 5.85% and 4.75%. Four semi-empirical models, namely the Chrastil, MST, K-J, and Bartle models, were applied for correlation and self-consistency analysis, with the resulting average absolute relative deviations falling between 2.64% and 6.73% for metacetamol, and between 3.39% and 13.6% for pirfenidone. Good linearity in the self-consistency tests confirmed the reliability of the data. This study also employed a thermodynamic model based on the Peng–Robinson equation of state (PR EOS), combined with the van der Waals and MHV1 mixing rules, to perform data regression. The results showed that the average absolute relative deviations (AARD) for both metacetamol and pirfenidone were comparable to those obtained using semi-empirical models, further confirming the accuracy and reliability of the experimental data in this study.
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