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Citation: Wang Hong-Yan, Chen Chang-An, Sun Ying, Zhu Zheng-He. Structure and Thermodynamic Properties of UO₂, UC₂ and UCO[J]. Acta Physico-Chimica Sinica, ;2003, 19(07): 651-653. doi: 10.3866/PKU.WHXB20030717 shu

Structure and Thermodynamic Properties of UO₂, UC₂ and UCO

1.
Institute of Atom and Molecular Engineering, Sichuan University,Chengdu　610065; 1China Academy of Engineering Physics, Mianyang　621900

Received Date: 4 November 2002
Available Online: 15 July 2003

The structure parameters and some thermodynamic functions for UO2, UC2, UCO are calculated using ab initio method. The vibration energies Ev, vibration and electronic entropies Sev for solid U are calculated based on Debye’s theories for crystal vibration. Thus the formation thermodynamic functions ΔHfΘ、ΔSfΘ and ΔGfΘ for UO2, UC2 and UCO compound are obtained. Results show that UO2 is stable, while UC2 and UCO are unstable.
- UO₂;UC₂;UCO;Thermodynamic function
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沈阳化工大学材料科学与工程学院沈阳 110142

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Structure and Thermodynamic Properties of UO2, UC2 and UCO

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通讯作者: 陈斌, bchen63@163.com

Structure and Thermodynamic Properties of UO₂, UC₂ and UCO