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Study of molecular interactions in binary mixtures of acetophenone derivative and cyclohexylamine

机译:苯乙酮衍生物与环己胺二元混合物的分子相互作用研究

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Dielectric constant of cyclohexylamine (CHA) + acetophenone (ACT) and CHA + p-chloroacetophenone (PCLA) mixtures has been measured at 100 KHz at 30 degrees C. The Kirkwood correlation factor g(eff) and g(f), excess thermodynamic functions and excess polarization of mixing have been calculated. The values of correlation factors in the mixture remain above unity, which indicated the predominance of microheterogeneous cluster with parallel or cooperative angular correlation (alpha-cluster). The dipolar contribution of excess free energy of mixing, arising from long-range electrostatic interaction and short-range interaction between identical molecules and short-range interaction between dissimilar molecules, has been calculated separately. For both the systems, the excess viscosity exhibits negative deviation due to hydrogen bonded effects and dipolar interaction.
机译:环己胺(CHA)+苯乙酮(ACT)和CHA +对氯苯乙酮(PCLA)混合物的介电常数已在30摄氏度下于100 KHz下进行了测量。柯克伍德相关系数g(eff)和g(f),过量的热力学函数和混合的过度极化已被计算。混合物中相关因子的值保持在1以上,这表明具有平行或协作角度相关性(α群集)的微异构簇占主导地位。分别计算了由相同分子之间的长距离静电相互作用和短距离相互作用以及不同分子之间的短距离相互作用引起的混合多余自由能的偶极贡献。对于这两个系统,由于氢键作用和偶极相互作用,过量粘度表现出负偏差。

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