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Vibrational entropy of disordering in omphacite
Physics and Chemistry of Minerals ( IF 1.4 ) Pub Date : 2023-11-27 , DOI: 10.1007/s00269-023-01260-7
Artur Benisek 1 , Edgar Dachs 1 , Michael A Carpenter 2 , Bastian Joachim-Mrosko 3 , Noreen M Vielreicher 1 , Manfred Wildner 4
Affiliation  

The cations of an ordered omphacite from the Tauern window were gradually disordered in piston cylinder experiments at temperatures between 850 and 1150 °C. The samples were examined by X-ray powder diffraction and then investigated using low-temperature calorimetry and IR spectroscopy. The low-temperature heat capacity data were used to obtain the vibrational entropies, and the line broadening of the IR spectra served as a tool to investigate the disordering enthalpy. These data were then used to calculate the configurational entropy as a function of temperature. The vibrational entropy does not change during the cation ordering phase transition from space group C2/c to P2/n at 865 °C but increases with a further temperature increase due to the reduction of short-range order.



中文翻译:

绿辉石无序振动熵

在 850 至 1150 °C 温度下的活塞缸实验中,来自 Tauern 窗的有序绿辉石的阳离子逐渐无序。通过 X 射线粉末衍射检查样品,然后使用低温量热法和红外光谱进行研究。低温热容数据用于获得振动熵,红外光谱的线展宽作为研究无序焓的工具。然后使用这些数据来计算作为温度函数的构型熵。在 865 °C 下,在从空间群C2/cP2/n 的阳离子有序相变过程中,振动熵没有变化,但由于短程有序度的减少,振动熵随着温度的进一步升高而增加。

更新日期:2023-11-30
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