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Heat capacity and thermodynamic functions of TiO2(H)
The Journal of Chemical Thermodynamics ( IF 2.6 ) Pub Date : 2020-06-01 , DOI: 10.1016/j.jct.2019.106040
Tao Feng , Liping Li , Quan Shi , Yuelan Zhang , Guangshe Li

Abstract The heat capacity of TiO2(H) has been measured in the temperature range of 1.9 K to 302 K. The experimental heat capacity is fitted using theoretical models, orthogonal polynomials and combination of Debye and Einstein function for the low, middle and high temperature range, respectively. Based on these fitted results, the standard molar heat capacity, entropy, enthalpy and Gibbs energy are calculated as (55.51 ± 0.56) J·K−1·mol−1, (50.55 ± 0.51) J·K−1·mol−1, (8.65 ± 0.09) kJ·mol−1, and –(6.42 ± 0.06) kJ·mol−1, respectively, at T = 298.15 K. Moreover, the heat capacity of TiO2(H) is similar to that of rutile and anatase, but significantly lower than those of brookite and TiO2(B) at temperature above 100 K.

中文翻译:

TiO2(H)的热容量和热力学函数

摘要 在 1.9 K 至 302 K 的温度范围内测量了 TiO2(H) 的热容。实验热容使用理论模型、正交多项式以及德拜和爱因斯坦函数的组合对低温、中温和高温进行拟合。范围,分别。基于这些拟合结果,标准摩尔热容、熵、焓和吉布斯能量计算为 (55.51 ± 0.56) J·K−1·mol−1, (50.55 ± 0.51) J·K−1·mol−1 , (8.65 ± 0.09) kJ·mol−1 和 –(6.42 ± 0.06) kJ·mol−1,分别为 T = 298.15 K。 此外,TiO2(H) 的热容与金红石和锐钛矿,但在 100 K 以上的温度下显着低于板钛矿和 TiO2(B)。
更新日期:2020-06-01
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