Istituto per l'Energetica e le Interfasi, Consiglio Nazionale delle Ricerche, 16149 Genova, Italy.
J Chem Phys. 2013 Aug 14;139(6):064504. doi: 10.1063/1.4817679.
Molar excess volume of Cu-Ti liquid mixture has been investigated to elucidate how the excess volume in binary alloys is related to mixing enthalpy and microscopic interactions. Cu-Ti is used as a key example for systems showing positive excess volume and negative mixing enthalpy. For this purpose, the density of several Cu-Ti binary mixtures has been measured over the whole composition range by the containerless technique of electromagnetic levitation as a function of temperature. A linear temperature dependence of the density has been found for all investigated alloys. In addition, the density decreases with increasing Ti content in the alloys, showing a negative deviation from the ideal solution model. As mentioned, a positive excess volume was found whereas the enthalpy of mixing is negative. This behavior has been discussed in relation with chemical ordering and the role played by attractive and repulsive interactions in the system, according to previous results obtained by means of molecular dynamics simulation on binary dense fluids.
已研究了 Cu-Ti 液态混合物的过剩体积,以阐明二元合金中的过剩体积如何与混合焓和微观相互作用相关。Cu-Ti 被用作显示正过剩体积和负混合焓的系统的关键示例。为此,通过无容器电磁悬浮技术在整个组成范围内测量了几种 Cu-Ti 二元混合物的密度作为温度的函数。发现所有研究的合金的密度都具有线性的温度依赖性。此外,合金中 Ti 含量的增加导致密度降低,表现出与理想溶液模型的负偏差。如前所述,发现了正的过剩体积,而混合焓为负。根据通过二元稠密流体的分子动力学模拟获得的先前结果,根据化学有序和系统中吸引和排斥相互作用的作用,讨论了这种行为。