Abstract

The density (ρ) and viscosity (η) of the mixtures of 1,6-diaminohexane (DAH) + water binary system were determined over the whole composition range at p = 101 kPa from 293.15 to 333.15 K. The measured density and viscosity values decrease with the increase of temperature. In addition, the viscosity of the binary system shows a maximum value along with the molar fraction of DAH. According to the experimental data, excess molar volume (V^E), apparent molar volume V_ϕ, viscosity deviation (Δη), and excess Gibbs free energy (ΔG*^E) of the activation of viscous flow were obtained and correlated by the well-known Redlich–Kister type polynomial equation by using the least square method and regression parameters were calculated. It was found that all of the V^E values are negative while \(\Delta \eta \) and ΔG*^E values are positive. The intermolecular interactions between DAH and water were characterized by the averaged non-covalent interaction index (aNCI) and thermal fluctuation index (TFI) method. The obtained results proved that N···H–O and O···H–N hydrogen bonds which lightly affected by thermal motion, and some of the flexible van der Waals interactions are the reason for the specific variation of the viscosity and excess properties of the studied binary system.

中文翻译：

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1,6-二氨基己烷+水混合物中293.15至333.15 K的分子间相互作用

摘要

在p = 101 kPa（从293.15到333.15 K）的整个组成范围内，确定了1,6-二氨基己烷（DAH）+水二元体系混合物的密度（ρ）和粘度（η）。测得的密度和粘度值随着温度的升高而降低。另外，二元体系的粘度与DAH的摩尔分数一起显示出最大值。根据实验数据，过量摩尔体积（V ^E），表观摩尔体积V _ϕ，粘度偏差（Δη）和过量吉布斯自由能（ΔG * ^E）获得粘性流动的激活，并使用最小二乘法用著名的Redlich-Kister型多项式方程式进行关联，并计算回归参数。发现所有V ^E值均为负，而\（\ Delta \ eta \）和ΔG * ^E值是正的。DAH与水之间的分子间相互作用用平均非共价相互作用指数（aNCI）和热波动指数（TFI）方法表征。获得的结果证明，N···H·O和O···H–N氢键受热运动的影响很小，并且一些柔性范德华相互作用是粘度和过量发生特定变化的原因。二元系统的性质。