The thermodynamic properties of gaseous UO2(OH)2

被引：2
|
作者：
Konings, R. J. M. [1 ]
Kovacs, A. [1 ]
Benes, O. [1 ]
机构：
[1] European Commiss, Joint Res Ctr, POB 2340, D-76125 Karlsruhe, Germany
来源：
JOURNAL OF NUCLEAR MATERIALS | 2017年 / 496卷
关键词：
UO2(OH)(2); Thermodynamics; DFT; Vibrational frequency; Molecular geometry;
D O I：
10.1016/j.jnucmat.2017.09.012
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Quantum chemical calculations of the molecular properties of the UO2(OH)(2) molecule are presented. From the results the thermodynamic properties of this gaseous species have been calculated, and these have been used to re-evaluate the existing literature study on the volatilization of U3O8 in steam, allowing to derive the enthalpy of formation of the UO2(OH)(2) molecule. (C) 2017 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY -NC-ND license.
引用
收藏
页码：163 / 165
页数：3
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