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A molecular interactions study between 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) and N-methylpyrrolidone
The Journal of Chemical Thermodynamics ( IF 2.2 ) Pub Date : 2021-03-01 , DOI: 10.1016/j.jct.2020.106330
Sowjanya Prathipati , Srinivasa Rao Vipparla , Srinivasa Reddy Munnangi , Md Nayeem Sk , Hari Babu Bollikolla

Abstract The work entitled results from initial determination of physical parameters, density (ρ), speed of sound (u), refractive index of [Bmim][PF6]/ N-methylpyrrolidone and their binaries at all compositions at atmospheric pressure and at task temperatures ranging from (303.15 - 323.15) K. The experimental results were utilized for computation of molar volumes ( V m E )/partial molar volumes ( V ¯ m E )/ partial molar volumes at infinite dilution ( V ¯ m E , ∞ )/isentropic compressibility ( κ s E )/ free length ( L f E )/ speeds of sound ( u E ) and isobaric thermal expansion coefficient ( α P E ) of the binary system. Further, the binary coefficients and the standard deviations were deduced by fitting the excess properties in Redlich-Kister equation. A fortitude of these parameters indicated strong intermolecular interactions and likewise increases with increase of temperature. Furthermore, molecular properties were also evaluated using Sehgal’s relation on non-linear parameters of Hartmann-Balizar and Ballou semiempirical relations at all temperatures. Moreover, the activity coefficients were calculated by Margules/Porter/Wilson/NRTL relations at temperature 308.15 K. The results of Prigogine–Flory–Patterson (PFP) theory of excess molar volume and IR spectra were supported the deduced strong interactions.

中文翻译:

1-丁基-3-甲基咪唑鎓六氟磷酸盐 ([Bmim][PF6]) 与 N-甲基吡咯烷酮之间的分子相互作用研究

摘要 题为在大气压和工作温度下对所有成分的物理参数、密度 (ρ)、声速 (u)、折射率 [Bmim][PF6]/N-甲基吡咯烷酮及其二元化合物的初始确定结果的工作范围从 (303.15 - 323.15) K. 实验结果用于计算摩尔体积 (V m E )/偏摩尔体积 (V¯m E)/ 无限稀释时的偏摩尔体积 (V¯ m E , ∞ )/二元系统的等熵压缩率 (κs E)/自由长度 (L f E)/声速 (u E) 和等压热膨胀系数 (α PE )。此外,通过拟合 Redlich-Kister 方程中的多余属性,推导出二进制系数和标准偏差。这些参数的强度表明分子间相互作用很强,同样随着温度的升高而增加。此外,还使用 ​​Sehgal 关系对所有温度下的 Hartmann-Balizar 和 Ballou 半经验关系的非线性参数进行了评估。此外,活度系数是在 308.15 K 温度下通过 Margules/Porter/Wilson/NRTL 关系计算的。Prigogine-Flory-Patterson (PFP​​) 理论的过量摩尔体积和红外光谱的结果支持推导出的强相互作用。
更新日期:2021-03-01
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