无机热化学数据库中卤化物高温熵的计算机预报 |
PREDICTION OF HIGH TEMPERATURE ENTROPY OF HALIDE FOR INORGANIC THERMODYNAMIC CHEMISTRY DATABASE |
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摘要: 在W. M. Latimer估算化合物标准熵的方法的基础上,建立了卤化物高温熵的计算机预报方法。作为试验,未参加训练的18个卤化物高温熵的预报值与实验值作了对照,其偏差均小于20焦耳/度·摩尔,即与若干卤化物标准熵的实验误差相近。 |
关键词: 卤化物 熵 数据库 |
基金项目: |
Abstract: A method for the estimation of high temperature entropy of halides has been established.The values of the entropy of 18 compounds at different temperatures have been predicted by this method. The root mean square errors of them are all less than 20J/deg·mole which is comparable with the experimental error of the standard entropy determination of some halides. |
Keywords: halide entropy database |
投稿时间:1985-06-03 |
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朱建中,徐桦,张未名,陈念贻,王乐珊,许志宏,陈斌.无机热化学数据库中卤化物高温熵的计算机预报[J].无机化学学报,1985,1(1):138-143. |
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