| HCl气体在烧结矿表面的吸附机理及特性 |
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| 引用本文： | 张淑会, 兰臣臣, 吕庆, 孙艳芹, 武兵强. HCl气体在烧结矿表面的吸附机理及特性[J]. 工程科学学报, 2016, 38(5): 617-622. DOI: 10.13374/j.issn2095-9389.2016.05.004 |
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| 作者姓名： | 张淑会 兰臣臣 吕庆 孙艳芹 武兵强 |
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| 作者单位： | 1.华北理工大学冶金与能源学院, 唐山 063009 |
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| 基金项目： | 国家自然科学基金资助项目(51174074)河北省钢铁联合基金资助项目(E2015209073) |
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| 摘 要： | 基于密度泛函理论,对HCl气体在烧结矿表面的吸附机理进行模拟计算,并且通过实验研究了不同反应温度、烧结矿粒度和HCl气体流量条件下烧结矿表面吸附HCl气体的特性规律.结果表明:HCl在α-Fe2O3(001)表面的最大吸附能为-175.91 k J·mol-1,为化学吸附.Cl原子与基底表面的Fe原子发生反应结合成Cl-Fe键.吸附后Fe-O键长变短,Fe-O键能增加,结构更紧密.Cl原子与Fe原子结合成键后,削弱Cl原子与H原子的结合.温度对烧结矿吸附氯元素量的影响较大,随着温度升高,氯元素吸附量逐渐增多;随着烧结矿粒度增大,氯元素吸附量逐渐减少;随着HCl气体流量的增加,氯元素吸附量迅速增加.
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| 关 键 词： | 烧结 氯化氢 表面吸附 吸附机理 高炉 |
| 收稿时间： | 2015-05-17 |
Adsorption mechanism and characteristics of HCl gas on the sinter surface |
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| ZHANG Shu-hui, LAN Chen-chen, LU: Qing, SUN Yan-qin, WU Bing-qiang. Adsorption mechanism and characteristics of HCl gas on the sinter surface[J]. Chinese Journal of Engineering, 2016, 38(5): 617-622. DOI: 10.13374/j.issn2095-9389.2016.05.004 |
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| Authors: | ZHANG Shu-hui LAN Chen-chen LU: Qing SUN Yan-qin WU Bing-qiang |
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| Affiliation: | 1.College of Metallurgy and Energy, North China University of Science and Technology, Tangshan 063009, China |
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| Abstract: | The adsorption mechanism of HCl gas on the sinter surface was simulated and calculated based on the density functional theory,and the adsorption characteristics were experimentally investigated at different reaction temperatures,sinter particle sizes and HCl gas rates. It is found that the maximum adsorption energy of HCl on the α-Fe2O3(001) surface is -175.91 k J·mol-1,which is chemical adsorption. Cl atoms react with Fe atoms of the substrate surface and form Fe-Cl bonding. After adsorption,the bonding length of Fe-O becomes shorter,and the binding energy gets bigger,which makes the structure of Fe2O3 become more closely. The combination of Cl atoms and H atoms becomes weaker because Fe-Cl bonding forms. Temperature has a great influence on the chlorine adsorption content on the sinter surface. The chlorine adsorption content of sinter obviously increases with increasing temperature,gradually decreases with increasing sinter particle size,and quickly increases with increasing HCl gas rate. |
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| Keywords: | ore sintering hydrogen chloride surface adsorption adsorption mechanisms blast furnaces |
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