东北大学学报（自然科学版）

东北大学学报（自然科学版） ›› 2013, Vol. 34 ›› Issue (11): 1597-1600.DOI: 10.12068/j.issn.1005-3026.2013.11.019

• 材料与冶金 • 上一篇    下一篇

基于Lingo的铁氧化物还原反应热力学数据的最优拟合

张伟，张菊花，邹宗树，唐彪   

  1. (东北大学材料与冶金学院，辽宁沈阳110819)
  • 发布日期:2013-07-09
  • 通讯作者: 张伟
  • 作者简介:张伟(1983-)，男，安徽肥东人，东北大学博士研究生；邹宗树(1958-)，男，山东章丘人，东北大学教授，博士生导师.
  • 基金资助:
    国家“十二五”规划科技支撑项目(2011BAE04B02).

Optimized Fitting of the Thermodynamic Data of Iron Oxide Reduction Reactions Based on Lingo〓

ZHANG Wei， ZHANG Juhua， ZOU Zongshu， TANG Biao   

  1. School of Materials & Metallurgy， Northeastern University， Shenyang 110819， China.
  • Published:2013-07-09
  • Contact: ZOU Zongshu
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摘要： 根据铁氧化物还原反应热力学计算模型，以广泛引用的纯物质热力学数据为基础参数，计算出精确的标准反应吉布斯自由能和平衡还原势热力学散点数值.以数学建模软件Lingo11为平台，并结合Baur-GlaessnerDiagram的热力学限制性条件，进行了还原热力学数据的约束性最优化拟合，得出铁氧化物还原过程的16个G-T近似公式和8个298K下的反应焓变.实验研究表明，自由能近似公式能完全满足热力学限制条件，拟合后的CO和H2还原铁氧化物的三相共析温度为576℃，此时平衡还原势分别为5070%和7583%，CO和H2还原能力大小的转换温度点为819℃.

关键词: 铁氧化物, 还原, 热力学, Lingo, 最优化拟合, 焓变

Abstract: A thermodynamic calculation model for the iron oxide reduction reactions was established based on the most recognized thermodynamic data of the pure substances. According to the model calculation， scattered accurate thermodynamic data of the balance reduction potential and the standard Gibbs free energy of the iron oxide reduction reactions were obtained depending on temperatures. With the mathematical simulation software Lingo 11， sixteen equilibrium GT formulas of the iron oxide reductions were fitted under the thermodynamic constraint of the BaurGlaessner diagram. Eight enthalpy change data at 298K for the reactions were also given. Results show that the eutectoid temperatures of the iron oxides reduced by CO and H2 are both 576℃， and the corresponding equilibrium reduction potentials are 5070% and 7583%， respectively. The reducibility transition temperature of CO and H2 is 819℃.

Key words: iron oxides, reduction, thermodynamics, Lingo, optimized fitting, enthalpy change

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