过氧化氢的热力学函数

P. Giguère
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引用次数: 2

摘要

利用最近测量的结构数据和振动频率,用统计方法计算了气态过氧化氢在298.16 ~ 1500°K范围内的热力学函数。每隔100°。一些不确定性是由于缺乏阻碍分子中羟基自由旋转的势垒的准确信息。根据现有的分解热和稀释热数据,计算了几个涉及过氧化氢的重要反应的平衡常数。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
THE THERMODYNAMIC FUNCTIONS OF HYDROGEN PEROXIDE
Using structural data and vibrational frequencies measured recently, the thermodynamic functions of gaseous hydrogen peroxide were calculated by the statistical method over the range 298.16 to 1500°K. at 100° intervals. Some uncertainty results from the lack of accurate information on the potential barrier hindering free rotation of the OH groups in the molecule. The equilibrium constants of a few important reactions involving hydrogen peroxide were also calculated from existing data on the heat of decomposition and the heat of dilution.
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