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Density and Viscosity of 4-Methylphenol and C3–C6 2-Alkanols: Experimental and Theoretical Studies
Journal of Chemical & Engineering Data ( IF 2.6 ) Pub Date : 2024-03-20 , DOI: 10.1021/acs.jced.3c00608
Mohammad Almasi 1
Affiliation  

To explore the properties and associations between liquid mixtures, excess molar volumes and deviation in the viscosity were analyzed using the experimental density and viscosity of 4-methylphenol and 2-alkanols (C3–C6), including 2-propanol, 2-butanol, 2-pentanol, and 2-hexanol, at various temperatures and 0.1 MPa pressure. The Redlich–Kister equation was employed for determining excess and deviation properties. The findings suggest strong intermolecular associations within liquid solutions with a weaker bond strength in higher alkanols. The density of liquid mixtures and pure fluids was modeled by using the perturbed-chain statistical associating fluid theory (PC-SAFT) model, resulting in a maximum deviation of 1.16% for binary mixtures of 4-methylphenol with 2-pentanol. Our analysis showed that PC-SAFT can effectively model the density of both pure liquids and solutions, providing accurate predictions and correlations. This approach can be valuable in understanding the behavior of different liquids and their interactions and can potentially aid in the development of new mixtures with desired properties.

中文翻译:

4-甲基苯酚和 C3–C6 2-烷醇的密度和粘度:实验和理论研究

为了探索液体混合物的性质和关联性,使用 4-甲基苯酚和 2-烷醇 (C 3 –C 6 )(包括 2-丙醇、2-丁醇)的实验密度和粘度分析了过量摩尔体积和粘度偏差、2-戊醇和2-己醇,在不同温度和0.1 MPa压力下。 Redlich-Kister 方程用于确定过量和偏差特性。研究结果表明,液体溶液中存在很强的分子间缔合,而高级烷醇中的键强度较弱。使用扰动链统计关联流体理论 (PC-SAFT) 模型对液体混合物和纯流体的密度进行建模,4-甲基苯酚与 2-戊醇的二元混合物的最大偏差为 1.16%。我们的分析表明,PC-SAFT 可以有效地模拟纯液体和溶液的密度,提供准确的预测和相关性。这种方法对于理解不同液体的行为及其相互作用非常有价值,并且可能有助于开发具有所需特性的新混合物。
更新日期:2024-03-20
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