Naum Maria Magdalena, Dumitrescu Vasile
Chemistry Department, Petroleum and Gas University of Ploiesti, 100680 Ploiesti, Romania.
Molecules. 2024 Oct 4;29(19):4706. doi: 10.3390/molecules29194706.
Physical properties of the binary solutions, toluene with 2-propanol and 2-methyl-1-propanol, were measured at T = 293.15, 298.15, 303.15, 308.15, and 313.15 K and P = 100 kPa. The experimental density values were tested with the Emmerling et al. and Gonzalez-Olmos-Iglesias equations. The results indicate that the equation by Emmerling et al. is the best to correlate the density for toluene + 2-methyl-1-propanol system, while for toluene + 2-propanol, both proposed equations are proper to correlate the density with composition and temperature. The viscosity results were verified with different models containing two adjustable parameters. The values of viscosity deviation (∆η), excess molar volume (), excess Gibbs energy (Δ), partial molar volumes (V1¯ and V2¯), and apparent molar volume (Vφ,1 and Vφ,2) were calculated. The values of the excess molar volume were positive for both systems, while negative values were obtained for the viscosity deviation and the excess Gibbs energy. The excess properties of the mixtures were adjusted to the Redlich-Kister equation. The values of thermodynamic functions of activation of viscous flow were computed and analyzed. Additionally, the Prigogine-Flory-Patterson (PFP) theory was applied to calculate and then compared with experimental values. The values of the percentage absolute average deviation obtained suggest the validity of this theory. The Fourier transform infrared spectroscopy (FTIR) spectra of the binary solutions studied in this work allowed for the understanding of the interactions between the molecules of these systems.
在温度T = 293.15、298.15、303.15、308.15和313.15 K以及压力P = 100 kPa的条件下,测定了甲苯与2 - 丙醇和2 - 甲基 - 1 - 丙醇二元溶液的物理性质。实验密度值采用埃默林等人的方程以及冈萨雷斯 - 奥尔莫斯 - 伊格莱西亚斯方程进行检验。结果表明,埃默林等人的方程最适合关联甲苯 + 2 - 甲基 - 1 - 丙醇体系的密度,而对于甲苯 + 2 - 丙醇体系,这两个方程都适合将密度与组成和温度进行关联。粘度结果用包含两个可调参数的不同模型进行验证。计算了粘度偏差(∆η)、过量摩尔体积()、过量吉布斯自由能(Δ)、偏摩尔体积(V1¯和V2¯)以及表观摩尔体积(Vφ,1和Vφ,2)的值。两个体系的过量摩尔体积值均为正值,而粘度偏差和过量吉布斯自由能的值为负值。混合物的过量性质用Redlich - Kister方程进行拟合。计算并分析了粘性流动活化的热力学函数值。此外,应用普里戈金 - 弗洛里 - 帕特森(PFP)理论计算 ,然后与实验值进行比较。所得绝对平均偏差百分比值表明了该理论的有效性。本工作中研究的二元溶液的傅里叶变换红外光谱(FTIR)谱有助于理解这些体系分子间的相互作用。