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典型离子化合物标准熵的估算模型
引用本文:潘聪超,郭培民,赵沛,庞建明. 典型离子化合物标准熵的估算模型[J]. 钢铁研究学报, 2012, 24(10): 26-28
作者姓名:潘聪超  郭培民  赵沛  庞建明
作者单位:中国钢研科技集团有限公司低温冶金与资源高效利用中心,北京,100081
基金项目:国家自然科学基金资助项目(51144005);国家环保公益性行业科研专项课题(201209023)
摘    要: 提出了用于估算典型离子化合物标准熵的双参数模型。此模型可以用来估算由碱金属、碱土金属与氧族元素和卤族元素组成的离子化合物的标准熵。模型通过回归求解给出了估算时各元素的估算参数值。由此模型估算离子化合物的标准熵时,平均误差为2.473J·mol-1·K-1,标准差为3.274 J·mol-1·K-1。模型估算误差符合正态分布,并且在与离子束缚模型等估算模型比较中显示了较高的精确度,优于现有的其他估算方法。

关 键 词:离子化合物  双参数估算模型  标准熵

Estimating Model of Standard Entropy of Typical Ionic Compounds
PAN Cong-chao,GUO Pei-min,ZHAO Pei,PANG Jian-ming. Estimating Model of Standard Entropy of Typical Ionic Compounds[J]. Journal of Iron and Steel Research, 2012, 24(10): 26-28
Authors:PAN Cong-chao  GUO Pei-min  ZHAO Pei  PANG Jian-ming
Affiliation:Center of Efficient Utilization of Resources by Low-Temperature Metallurgy, China Central Iron and Research Institute Group, Beijing 100081, China
Abstract:The two-parameter estimating model was proposed,which can estimate standard entropy of typical ionic compounds.The ionic compounds were composed by alkali metals,alkaline-earth metals with oxygen and halogen family elements.Estimating parameters of totally 17 kinds of elements were given by multiple linear regression.The average error is 2.473 J·mol-1·K-1,and the standard deviation is 3.274 J·mol-1·K-1 when standard entropy are estimated by means of the two-parameter estimating model.This estimating model has high precision and estimating errors of it are concentrative in normal distribution.The two-parameter estimating model is better than any other methods such as Latimer model and Kier-Hall model.
Keywords:ionic compound  the two-parameter model  standard enthalpy
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