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α-Fe_(2)O_(3)(001)及其掺杂表面吸附As_(2)O_(3)机制的密度泛函理论
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作者 刘思彤 牛胜利 +5 位作者 韩奎华 李英杰 王永征 路春美 王栋 朱英 《哈尔滨工业大学学报》 EI CAS CSCD 北大核心 2022年第7期20-28,共9页
为提高催化剂抗砷能力,采用密度泛函理论(DFT)方法研究As_(2)O_(3)在α-Fe_(2)O_(3)(001)表面的吸附行为以及掺杂Mo、Mn、Ni对α-Fe_(2)O_(3)(001)表面As_(2)O_(3)吸附行为的影响。建立As_(2)O_(3)在α-Fe_(2)O_(3)(001)表面吸附模型和M... 为提高催化剂抗砷能力,采用密度泛函理论(DFT)方法研究As_(2)O_(3)在α-Fe_(2)O_(3)(001)表面的吸附行为以及掺杂Mo、Mn、Ni对α-Fe_(2)O_(3)(001)表面As_(2)O_(3)吸附行为的影响。建立As_(2)O_(3)在α-Fe_(2)O_(3)(001)表面吸附模型和Mo、Mn、Ni掺杂的吸附模型,计算As_(2)O_(3)在催化剂表面的吸附能,分析成键态密度以及掺杂前后的As_(2)O_(3)在α-Fe_(2)O_(3)(001)表面的电荷布局。结果表明:这4种体系均发生电子转移,Mo掺杂活化了As_(2)O_(3)分子,使得As_(2)O_(3)倾向于吸附在Mo活性位点上,保护了Fe活性位点,增强α-Fe_(2)O_(3)抗砷中毒能力;Mn、Ni掺杂后As_(2)O_(3)反应活性低于掺杂前,抑制了As与掺杂剂的吸附,导致Fe位点更易中毒,不利于之后的NH 3-SCR反应。 展开更多
关键词 选择性催化还原脱硝 氧化 掺杂 氧化砷吸附 分子模拟
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Preparation of magnetic Fe3O4@Cu/Ce microspheres for efficient catalytic oxidation co-adsorption of arsenic(Ⅲ) 被引量:6
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作者 JIN Lin-feng CHAI Li-yuan +2 位作者 SONG Ting-ting YANG Wei-chun WANG Hai-ying 《Journal of Central South University》 SCIE EI CAS CSCD 2020年第4期1176-1185,共10页
Magnetic Fe3 O4@Cu/Ce microspheres were successfully prepared by one-step solvothermal approach and further utilized to remediate toxic arsenic(As(Ⅲ)) pollution. The effects of Cu/Ce elements co-doping on the crystal... Magnetic Fe3 O4@Cu/Ce microspheres were successfully prepared by one-step solvothermal approach and further utilized to remediate toxic arsenic(As(Ⅲ)) pollution. The effects of Cu/Ce elements co-doping on the crystal structure, catalytic oxidation and adsorption behaviors of magnetic microspheres were researched systematically. The results showed that with the aid of Cu/Ce elements, the grain size reduced, lattice defects increased, and the oxygen vacancies and surface hydroxyl groups were improved. Therefore, Cu/Ce elements endowed magnetic Fe3 O4@Cu/Ce microspheres with excellent As(III) removal performance, whose maximum adsorption capacity reached 139.19 mg/g. The adsorption mechanism mainly involved catalytic oxidant co-adsorption. This research developed a feasible strategy for the preparation of high efficiency magnetic adsorbent to enhance the removal of As(Ⅲ). 展开更多
关键词 Cu/Ce magnetic composites AS(III) catalytic oxidation adsorption
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The oxidative and adsorptive effectiveness of hydrous manganese dioxide for arsenite removal
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作者 刘锐平 Yuan Baoling +3 位作者 Li Xing Xia Shengji Yang Yanling Li Guibai 《High Technology Letters》 EI CAS 2006年第3期323-327,共5页
This study focuses on the effectiveness of hydrous manganese dioxides (ζMnO2) removing arsenite (As(Ⅲ)) from aqueous solution. Effects of such factors as permanganate oxidation, pH, humic acid and Ca^2+ on As... This study focuses on the effectiveness of hydrous manganese dioxides (ζMnO2) removing arsenite (As(Ⅲ)) from aqueous solution. Effects of such factors as permanganate oxidation, pH, humic acid and Ca^2+ on As removal and possible mechanisms involved in have been investigated. Permanganate oxidation increases As removal to a certain extent; the higher pH results in the formation of more easily adsorbed As species, contributing to higher As removal; hmnic acid occupies adsorbing sites and decreases ζ potential of ζMnO2, therefore inhibiting As removal; Ca^2+ facilitates As adsorption on ζMnO2, mainly through increasing ζ potential and decreasing repulsive forces between As and surface sites.ζMnO2 exhibits oxidative and adsorptive potential for As(Ⅲ), and may be employed as adsorbents or filter coating for As removal in water treatment process. 展开更多
关键词 δMnO2 As(Ⅲ) adsorption oxidation ζ potential humic acid
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简析舍伯吐镇区水厂除砷锰超标技术方法
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作者 杨光 刘瑞臣 +1 位作者 赵乐 廉泓林 《内蒙古水利》 2024年第8期80-82,共3页
文章以舍伯吐镇区水厂改水工程项目为基础,探究分析解决科尔沁左翼中旗农村牧区砷锰超标问题的技术方法,并分析工程实施后产生的效益,为改善自来水水质提供理论依据。
关键词 舍伯吐镇区水厂 非均相氧化吸附过滤除技术 锰超标 废水水质
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