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Thermodynamic properties of sodium hexatitanate (Na2Ti6O13) at high temperature (298.15–1573 K)
Calphad ( IF 2.4 ) Pub Date : 2021-06-27 , DOI: 10.1016/j.calphad.2021.102307
Lilian Yang , Guishang Pei , Youling Hou , Yuntao Xin , Xuewei Lv

Sodium hexatitanate (Na2Ti6O13) was reported as an anode side material for Sodium ion batteries owing to low material cost, high energy efficiency, good thermal stability and long cycle life. Therefore, studies pertaining to the thermodynamic properties of Na2Ti6O13 are indispensable for improving its service performance. However, a significant number of literature reviews concerning thermodynamic properties indicated that heat capacity of Na2Ti6O13 at high temperatures should be confirmed. In this study, the 99.5% purity of Na2Ti6O13 sample was successfully prepared via solid-state reaction using TiO2 and Na2CO3 as initial materials. Heat capacity of the as-synthesized samples in the temperature range of 573–1523 K was measured using a multi-high temperature calorimeter 96 line. Heat capacity, Cp, from 298.15 to 1573 K was modeled as a polynomial formula with a prediction error of 3%: Cp = 474.08143 + 0.06286T-8.04068 × 106 T−2 (J⋅mol−1⋅K−1). In combination with the low-temperature data, heat capacity of Na2Ti6O13 from 0 to 1573 K was given in present study. Values of changes in enthalpy, Gibbs free energy and entropy in the temperature range of 298.15–1573 K were calculated based on the temperature dependence of heat capacity.



中文翻译:

钛酸钠 (Na 2 Ti 6 O 13 ) 在高温 (298.15–1573 K) 下的热力学性质

六钛酸钠(Na 2 Ti 6 O 13)由于材料成本低、能量效率高、热稳定性好和循环寿命长而被报道为钠离子电池的负极材料。因此,Na 2 Ti 6 O 13的热力学性质的研究对于提高其使用性能是必不可少的。然而,大量关于热力学性质的文献综述表明,Na 2 Ti 6 O 13在高温下的热容量应该得到证实。在本研究中,纯度为 99.5% 的 Na 2 Ti 6 O 13使用TiO 2和Na 2 CO 3作为起始材料,通过固态反应成功制备了样品。合成样品在 573-1523 K 温度范围内的热容量是使用多台高温热量计 96 线测量的。从 298.15 到 1573 K 的热容 Cp 被建模为多项式公式,预测误差为 3%:Cp = 474.08143 + 0.06286T-8.04068 × 10 6  T -2 (J⋅mol -1 ⋅K -1 )。结合低温数据,Na 2 Ti 6 O 13 的热容在本研究中给出了从 0 到 1573 K。基于热容的温度依赖性计算了在 298.15-1573 K 温度范围内的焓、吉布斯自由能和熵的变化值。

更新日期:2021-06-28
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