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Heat capacity and standard thermodynamic functions of the fullerenol C60(OH)24
The Journal of Chemical Thermodynamics ( IF 2.6 ) Pub Date : 2020-10-01 , DOI: 10.1016/j.jct.2020.106192
Alexey V. Markin , Yanina S. Samosudova , Timofey G. Ogurtsov , Natalia N. Smirnova , Sergei V. Ageev , Nikita E. Podolsky , Andrey V. Petrov , Igor V. Murin , Konstantin N. Semenov

Abstract In the present investigation, the heat capacity of fullerenol C60(OH)24 was measured by precision adiabatic and differential scanning calorimetry over the temperature range from T = (6 to 670) K. The keto-enol tautomerism was revealed in the temperature range T = (355–575) K and enthalpy of transition was determined. The standard thermodynamic functions: molar heat capacity Cp°, enthalpy [H°(T) − H°(0)], entropy S°(T), and Gibbs energy [G°(T) − H°(0)] of the fullerenol were determined over the temperature range from T = (6 to 350) K from the obtained experimental results. Also, DFT calculations of the heat capacities were performed. The standard thermodynamic properties of the investigated fullerenol were compared to other fullerene derivatives.

中文翻译:

富勒烯醇 C60(OH)24 的热容量和标准热力学函数

摘要 在本研究中,富勒烯醇 C60(OH)24 的热容量是通过精密绝热和差示扫描量热法在 T = (6 至 670) K 的温度范围内测量的。在该温度范围内揭示了酮-烯醇互变异构现象T = (355–575) K 和转变焓被确定。标准热力学函数:摩尔热容 Cp°、焓 [H°(T) − H°(0)]、熵 S°(T) 和吉布斯能量 [G°(T) − H°(0)]根据获得的实验结果,在 T = (6 到 350) K 的温度范围内确定了富勒烯醇。此外,还进行了热容量的 DFT 计算。将所研究的富勒烯醇的标准热力学性质与其他富勒烯衍生物进行比较。
更新日期:2020-10-01
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