Background

Liquid mixtures are used as a solvent in most of the natural systems and chemical processes. Therefore, the physicochemical properties of liquid mixtures at different compositions and at different temperatures have a significant role in the optimization of chemical processes. The present report involves the analysis of the thermophysical properties of water (1) and amines (2).

Methods

Density, ρ, dynamic viscosity, η, refractive index, n_D, and speed of sound, u, data were measured for binary mixtures of water (1) and amines (1A2P (1-amino-2-propanol), 1,2-DAP (1,2-diaminopropane) and 1,3-DAP (1,3-diaminopropane) (2) at five different temperatures (T = 298.15 to 318.15 K) and at 0.1 MPa pressure. Based on experimental data, the excess molar volume, $V_m^E$, deviation in dynamic viscosity, Δη, excess Gibbs free energy of activation, G*^E, deviation in refractive index, Δn_D, excess ultrasonic speed, u^E, excess isentropic compressibility, $K_s^E$, deviation in free volume, $\Delta V_{{}_f}$, excess available volume, $V_a^E$, and excess intermolecular free length, $L_f^E$, were calculated and these evaluated properties were fitted to Redlich-Kister polynomial (R.K.). The $V_m^E$ data was analyzed by Prigogine-Flory-Patterson (PFP) theory. The dynamic viscosity, η, values were studied by different correlations. The $V_m^E$ and Δη data were also analyzed by Graph theoretical approach (GTA). Raman and FT-IR spectroscopic studies give important information about the intermolecular interactions present between unlike molecules water (1) and amines (2) which is also recognized by GTA.

Significant findings

The value of $V_m^E$ and $K_s^E$ values were found negative over the whole composition range, and it follow the sequence as: 1,2-DAP > 1,3-DAP > 1A2P with water at equimolar composition. GTA and PFP well supported the $V_m^E$ data. GTA studies help in investigating the specific intermolecular interactions between unlike components. Further, Graph theory studies predicted OH—–NH interaction is dominant interaction among all interactions which were also supported by Raman and FTIR spectroscopic studies.

中文翻译：

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T=298.15 -318.15 K 时水与 1-氨基-2-丙醇、1,2-二氨基丙烷和 1,3-二氨基丙烷的体积、声学、粘度和光学性质的实验分析：通过图形、PFP 和红外光谱进行分子建模调查

背景

液体混合物在大多数自然系统和化学过程中用作溶剂。因此，不同成分和不同温度下液体混合物的物理化学性质对于化学过程的优化具有重要作用。本报告涉及水 (1) 和胺 (2) 的热物理性质的分析。

方法

密度，ρ，动态粘度，η，折射率，n _D和声速，u，数据是针对水 (1) 和胺 (1A2P (1-氨基-2-丙醇)、1,2 -DAP（1,2-二氨基丙烷）和 1,3-DAP（1,3-二氨基丙烷）(2) 在五个不同温度（T = 298.15 至 318.15 K）和 0.1 MPa 压力下。根据实验数据，过量摩尔体积，$V_{米}^{乙}$, 动态粘度偏差, Δη, 过量吉布斯活化自由能, G * ^E , 折射率偏差, Δ n _D , 过量超声速度, u ^E , 过量等熵压缩性,$K_s^{乙}$，自由体积偏差，$\Delta V_{{}_F}$，多余的可用体积，$V_A^{乙}$，和过量的分子间自由长度，$L_F^{乙}$，计算并将这些评估的属性拟合到 Redlich-Kister 多项式 (RK)。这$V_{米}^{乙}$数据通过Prigogine-Flory-Patterson (PFP​​) 理论进行分析。通过不同的相关性研究了动态粘度 η 值。这$V_{米}^{乙}$和 Δn 数据还通过图论方法（GTA）进行了分析。拉曼和 FT-IR 光谱研究提供了有关不同分子水 (1) 和胺 (2) 之间存在的分子间相互作用的重要信息，GTA 也认可了这一点。

重大发现

的价值$V_{米}^{乙}$和$K_s^{乙}$在整个组成范围内，值均为负值，并且其顺序为：1,2-DAP > 1,3-DAP > 1A2P（水等摩尔组成）。GTA 和 PFP 很好地支持了$V_{米}^{乙}$数据。GTA 研究有助于研究不同成分之间的特定分子间相互作用。此外，图论研究预测 OH-–NH 相互作用是所有相互作用中的主导相互作用，拉曼和 FTIR 光谱研究也支持这一点。