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掺杂Ce改善Mn基脱硝催化剂抗水抗硫性的模拟分析 被引量:7
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作者 王金玉 王翠苹 《热科学与技术》 CAS CSCD 北大核心 2020年第6期606-612,共7页
通过密度泛函理论(density functional theory,DFT)在原子层面探索了载体类型、金属元素对催化剂抗水抗硫性的影响机制。研究发现,H2O分子在活性组分β-MnO2上的吸附为物理吸附,且相比于γ-AI2O3载体,H2O分子在ZSM-5分子筛载体上更难吸... 通过密度泛函理论(density functional theory,DFT)在原子层面探索了载体类型、金属元素对催化剂抗水抗硫性的影响机制。研究发现,H2O分子在活性组分β-MnO2上的吸附为物理吸附,且相比于γ-AI2O3载体,H2O分子在ZSM-5分子筛载体上更难吸附,ZSM-5分子筛作载体能提高催化剂的抗水性;掺杂金属元素Ce,不仅抑制了H2O分子在活性组分β-MnO2上的吸附,而且阻碍了SO2分子与活性组分β-MnO2的反应;当SO2和H2O分子同时吸附时,由于SO2的吸附能力更强会优先吸附且占用更多的吸附位,SO2分子会阻碍H2O分子的吸附。通过实验方式对模拟结果进行验证,实验结果与模拟结果一致,进一步证明了模拟结果的准确性。该研究为提高催化剂的抗水抗硫性提供了理论依据。 展开更多
关键词 ZSM-5分子筛 CE 抗水抗硫性 密度泛函理论 脱硝实验
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Experimental and Modeling Study on de-NO_x Characteristics of Selective Non-catalytic Reduction in O_2/CO_2 Atmosphere 被引量:3
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作者 李辉 韩奎华 +1 位作者 刘洪涛 路春美 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2014年第8期943-949,共7页
An experimental study of thermal de-NOx using NH3 as reductant in 02/C02 atmosphere with the effect of S02 and different additives was performed in a drop tube furnace. Results show that the optimum temperature win- d... An experimental study of thermal de-NOx using NH3 as reductant in 02/C02 atmosphere with the effect of S02 and different additives was performed in a drop tube furnace. Results show that the optimum temperature win- dow is 841-1184 ℃, and the optimum reaction temperature is about 900 ℃ with a de-NOx efficiency of 95.4%. A certain amount of S02 has an inhibiting effect on NO reduction. The effect of additives, including Na2C03, C2H5OH and FeCI3, on NO reduction by NH3 is also explored. The addition of Na2CO3 and FeCI3 is useful to widen the tem- perature window and shift the reaction to lower temperature for the efficiency is increased from 30.5% to 74.0% and 67.4% respectively at 800 ℃. Qualitatively, the modeling results using a detailed kinetic modeling mecha- nism represent well most of the process features. The effect of Na2CO3, C2H5OH and FeCI3 addition can be reproduced well by the Na2C03, C2H5OH and Fe(CO)5 sub-mechanism respectively. The reaction mechanism analysis shows that the effects of these additives on NO reduction are achieved mainly by promoting the produc- tion of OH radicals at lower temperature. 展开更多
关键词 Selective non-catalytic reduction DENITRIFICATION AMMONIA Kinetic modeling 02/CO2 SO2 ADDITIVES
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