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β-CaSiO_3晶体的电子结构及光学性质 被引量:1
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作者 何茗 张树人 +2 位作者 周晓华 李波 张婷 《材料导报》 EI CAS CSCD 北大核心 2011年第2期1-3,6,共4页
基于第一性原理的平面波赝势方法(PWP)的局域密度近似(LDA)/广义梯度近似(GGA)计算了β-Ca-SiO3的几何结构、能带结构、态密度和光学性质。其晶胞参数优化结果与实验相比,LDA/GGA的相对误差为-3.62%/1.91%。对优化后的β-CaSiO3晶体进... 基于第一性原理的平面波赝势方法(PWP)的局域密度近似(LDA)/广义梯度近似(GGA)计算了β-Ca-SiO3的几何结构、能带结构、态密度和光学性质。其晶胞参数优化结果与实验相比,LDA/GGA的相对误差为-3.62%/1.91%。对优化后的β-CaSiO3晶体进行能带结构分析表明,β-CaSiO3晶体为间接带隙结构,禁带宽度Eg(LDA)=5.53eV,Eg(GGA)=5.18eV。对态密度图及Mulliken电荷分布的分析表明,Ca的d轨道有电子分布,即Ca的s、p、d轨道均参与了成键。β-CaSiO3晶体中Ca与SiO3基团之间形成的化学键主要是离子键,而Si与O之间的化学键是共价键。 展开更多
关键词 β-casio3 能带结构 电荷分布价键
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微波辐射KF/nano-γ-Al_2O_3催化的Gewald反应研究 被引量:1
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作者 洪志 李旭瑶 +3 位作者 陈灿丽 陈光 汪汉卿 路辰辰 《化学试剂》 CAS 北大核心 2015年第11期1031-1033,1038,共4页
以KF/nano-γ-Al2O3为碱性催化剂,在微波辐射作用下发生三组分Gewald反应,合成了一类2-氨基噻吩类化合物,并探索了不同反应条件对收率的影响。实验结果表明,该方法具有催化剂廉价高效、反应时间短、产品收率高、后处理简便等优点。
关键词 微波辐射 KF/nano-γ-Al2O3 Gewald反应 2-氨基噻吩类
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β-CaSiO_3/丝素蛋白复合支架材料结构与性能的研究 被引量:1
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作者 沈锦玉 朱海霖 +1 位作者 冯新星 陈建勇 《功能材料》 EI CAS CSCD 北大核心 2009年第11期1880-1883,1887,共5页
利用冷冻干燥法制备了β-CaSiO3/丝素蛋白复合支架材料,经XRD和FTIR分析表明复合支架中丝素的结构主要以β-折叠为主;SEM分析显示材料孔隙分布均匀,孔连通性较好,孔径尺寸约为100~300μm。对支架的孔隙率和机械强度等性能进行了表征,... 利用冷冻干燥法制备了β-CaSiO3/丝素蛋白复合支架材料,经XRD和FTIR分析表明复合支架中丝素的结构主要以β-折叠为主;SEM分析显示材料孔隙分布均匀,孔连通性较好,孔径尺寸约为100~300μm。对支架的孔隙率和机械强度等性能进行了表征,研究表明复合支架的孔隙率为83%~87%,机械强度有较大提高。应用模拟体液浸泡实验研究了复合支架的体外生物活性,并用XRD、FESEM和EDS对试样表面进行了表征;结果显示,样品经模拟体液浸泡3天后,表面都能沉积出类骨羟基磷灰石(HA)层,β-CaSiO3的加入能加快复合支架表面沉积类骨HA的速度。研究结果显示β-CaSiO3/丝素蛋白复合支架材料有望作为强度较好的生物活性硬组织修复材料。 展开更多
关键词 丝素蛋白 β-casio3 复合支架 结构 生物活性
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共沉淀法低温合成β-CaSiO_3纳米粉体 被引量:1
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作者 刘孟彬 李蔚 杨爱霞 《华东理工大学学报(自然科学版)》 CAS CSCD 北大核心 2011年第3期315-319,共5页
以正硅酸乙酯和硝酸钙为原料,采用共沉淀法低温制备了β-CaSiO3纳米粉体。系统讨论了沉淀剂、滴加方式、合成体系温度及溶剂等因素对粉体合成的影响;采用XRD,SEM和BET等手段对β-CaSiO3粉体的物相、颗粒的形貌及粉体的比表面积进行了表... 以正硅酸乙酯和硝酸钙为原料,采用共沉淀法低温制备了β-CaSiO3纳米粉体。系统讨论了沉淀剂、滴加方式、合成体系温度及溶剂等因素对粉体合成的影响;采用XRD,SEM和BET等手段对β-CaSiO3粉体的物相、颗粒的形貌及粉体的比表面积进行了表征。结果表明:在25℃下,用NaOH溶液做沉淀剂,乙醇做溶剂,采用逐滴加入NaOH溶液的方式合成的沉淀前驱体比较均匀,该沉淀前驱体经过680℃煅烧便可以得到纯的β-CaSiO3;扫描照片显示,在700℃下可得到β-CaSiO3纳米颗粒结晶完整棒状粉体。 展开更多
关键词 共沉淀法 β-casio3 纳米粉体
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Influence of current density on nano-Al_2O_3/Ni+Co bionic gradient composite coatings by electrodeposition 被引量:1
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作者 Yan Liu Luquan Ren +1 位作者 Sirong Yu Zhuwu Han 《Journal of University of Science and Technology Beijing》 CSCD 2008年第5期633-637,共5页
Metal and nano-ceramic nanocomposite coatings were prepared on the gray cast iron surface by the electrodeposition method. The Ni-Co was used as the metal matrix,and nano-Al2O3 was chosen as the second-phase particula... Metal and nano-ceramic nanocomposite coatings were prepared on the gray cast iron surface by the electrodeposition method. The Ni-Co was used as the metal matrix,and nano-Al2O3 was chosen as the second-phase particulates. To avoid poor inter-face bonding and stress distribution,the gradient structure of biology materials was found as the model and therefore the gradient composite coating was prepared. The morphology of the composite coatings was flatter and the microstructure was denser than that of pure Ni-Co coatings. The composite coatings were prepared by different current densities,and the 2-D and 3-D morphologies of the surface coatings were observed. The result indicated that the 2-D structure became rougher and the 3-D surface density of apices became less when the current density was increased. The content of nanoparticulates reached a maximum value at the current density of 40mA·cm^-2,at the same time the properties including microhardness and wear-resistance were analyzed. The microhardness reached a maximum value and the wear volume was also less at the current density of 40mA·cm^-2. The reason was that nano-Al2O3 particles caused dispersive strengthening and grain refining. 展开更多
关键词 ELECTRODEPOSITION composite coating current density nano-AL2O3 microstructure mechanical properties
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Tribological behavior and energy dissipation characteristics of nano-Al_2O_3-reinforced PTFE-PPS composites in sliding system 被引量:1
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作者 曹文翰 龚俊 +4 位作者 杨东亚 高贵 王宏刚 任俊芳 陈生圣 《Journal of Central South University》 SCIE EI CAS CSCD 2017年第9期2001-2009,共9页
Nanoparticles are increasingly being used to improve the friction and wear performance of polymers. In this study, we investigated the tribological behavior and energy dissipation characteristics of nano-Al_2O_3-reinf... Nanoparticles are increasingly being used to improve the friction and wear performance of polymers. In this study, we investigated the tribological behavior and energy dissipation characteristics of nano-Al_2O_3-reinforced polytetrafluoroethylenepolyphenylene sulfide(PTFE-PPS) composites in a sliding system. The tribological behaviors of the composites were evaluated under different normal loads(100–300 N) at a high linear velocity(2 m/s) using a block-on-ring tester. Addition of the nano-Al_2O_3 filler improved the antiwear performance of the PTFE-PPS composites, and the friction coefficient increased slightly. The lowest wear rate was obtained when the nano-Al_2O_3 content was 3%(volume fraction). Further, the results indicated a linear correlation between wear and the amount of energy dissipated, even though the wear mechanism changed with the nano-Al_2O_3 content, independent of the normal load applied. 展开更多
关键词 nano-AL2O3 polytetrafluoroethylene-polyphenylene sulfide (PTFE-PPS) tribological behavior dissipated energy
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Ni-P/nano-Al_2O_3复合镀层的制备及性能
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作者 姚建安 《电镀与精饰》 CAS 北大核心 2018年第8期38-41,共4页
以汽车模具配件—导柱常用的20Cr钢为基材,在其表面制备Ni-P/nano-Al_2O_3复合镀层及普通Ni-P镀层。对Ni-P/nano-Al_2O_3复合镀层的微观形貌、晶相结构、显微硬度和摩擦磨损性能进行了测试与分析,并与Ni-P镀层和基材进行了对比。结果表... 以汽车模具配件—导柱常用的20Cr钢为基材,在其表面制备Ni-P/nano-Al_2O_3复合镀层及普通Ni-P镀层。对Ni-P/nano-Al_2O_3复合镀层的微观形貌、晶相结构、显微硬度和摩擦磨损性能进行了测试与分析,并与Ni-P镀层和基材进行了对比。结果表明,Ni-P/nano-Al_2O_3复合镀层的晶粒细小,结构更加致密,显微硬度平均值可达到436.4 HV,高于Ni-P镀层的357.3 HV和基材的190HV;与Ni-P镀层相比,Ni-P/nano-Al_2O_3复合镀层能更有效地改善基材的摩擦磨损性能。NanoAl_2O_3颗粒复合量对Ni-P/nano-Al_2O_3复合镀层的显微硬度和摩擦磨损质量损失率有一定影响,增加颗粒复合量可以提高复合镀层的显微硬度,改善其摩擦磨损性能。 展开更多
关键词 Ni-P/nano-Al2O3复合镀层 汽车模具配件 微观形貌 显微硬度 摩擦磨损性能
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Nano-γ-Fe<sub>2</sub>O<sub>3</sub>: Efficient, Reusable and Green Catalyst for <i>N</i>-<i>tert</i>-Butoxycarbonylation of Amines in Water
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作者 Venkataramana Medisetti Umadevi Parimi +1 位作者 Ramesh Babu Anagani K. V. V. V. Satyanarayana 《Green and Sustainable Chemistry》 2014年第2期95-101,共7页
An efficient and versatile practical protocol for the chemoselective N-tert-butoxycarbonylation of amines using Nano-γ-Fe2O3 and (BOC)2O. Nano-γ-Fe2O3 was applied as an efficient, green, heterogeneous and reusable c... An efficient and versatile practical protocol for the chemoselective N-tert-butoxycarbonylation of amines using Nano-γ-Fe2O3 and (BOC)2O. Nano-γ-Fe2O3 was applied as an efficient, green, heterogeneous and reusable catalyst at ambient temperature;the method is general for the preparation of N-Boc derivatives of aliphatic, heterocyclic, aromatic as well as amino acid derivatives. 展开更多
关键词 nano-γ-Fe2O3 N-Boc Protection Amine Heterogeneous Catalyst WATER
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纳米Al_2O_3改性变压器绝缘纸性能的研究 被引量:20
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作者 廖瑞金 吕程 +2 位作者 吴伟强 梁宁川 杨丽君 《电力科学与技术学报》 CAS 2014年第1期3-7,共5页
为了研究纳米Al2O3改性绝缘纸的绝缘性能,实验室制备了含不同质量分数的纳米Al2O3绝缘纸手抄片,并对真空浸油后的绝缘纸性能进行了测试。结果表明在一定的质量分数内纳米Al2O3改性后的绝缘纸的工频击穿场强得到较大的提高,在质量分数为1... 为了研究纳米Al2O3改性绝缘纸的绝缘性能,实验室制备了含不同质量分数的纳米Al2O3绝缘纸手抄片,并对真空浸油后的绝缘纸性能进行了测试。结果表明在一定的质量分数内纳米Al2O3改性后的绝缘纸的工频击穿场强得到较大的提高,在质量分数为1%时,工频击穿场强提高了12.75%,绝缘纸的抗张强度增加了14.13%;在1%的添加量内绝缘纸的介电常数、介电损耗都随纳米Al2O3含量的增加而减小。 展开更多
关键词 绝缘纸 纳米 AL2O3 工频击穿场强 介电常数 介电损耗 nano-AL2O3
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CaSiO_3:Mn,Pb-B_2O_3系化合物的合成及其UV和VUV发光特性
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作者 张稚雅 王育华 《功能材料》 EI CAS CSCD 北大核心 2006年第2期185-187,共3页
以CaSiO3-B2O3系化合物为研究对象、Mn作为发光中心,探索了其作为高亮度发光材料的可能性。用高温固相法于1150℃、3h、N2气氛下合成了CaSiO3∶0.066Mn,0.008Pb-B2O3系列单相粉末样品并研究了其发光特性。结果表明,当B/(B+Si)质量比≤0.... 以CaSiO3-B2O3系化合物为研究对象、Mn作为发光中心,探索了其作为高亮度发光材料的可能性。用高温固相法于1150℃、3h、N2气氛下合成了CaSiO3∶0.066Mn,0.008Pb-B2O3系列单相粉末样品并研究了其发光特性。结果表明,当B/(B+Si)质量比≤0.3时样品为-βCaSiO3单相,随着B2O3含量的变化,没有观察到X射线位置的明显变化,这说明B的固容量有限。当B/(B+Si)质量比0.3时发现有杂质相。在254nm激发下,观察到最大强度位于617nm的红色发射峰且B/(B+Si)质量比=0.3时达到最大。147nm真空紫外激发下的发射峰和紫外激发下的一致,发射强度也在B/(B+Si)质量比=0.3时达到最大;617nm监控下的VUV激发光谱由峰值位于185和253nm的两个激发带构成,分别归属于基质吸收和激活离子激发。 展开更多
关键词 β-casio3 UV/VUV 荧光体
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Morphology and Mechanical Properties of PS/Al_2O_3 Nanocomposites Based on Selective Laser Sintering 被引量:6
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作者 Zhifeng XU Jian ZHANG +2 位作者 Haizhong ZHENG Changchun CAI Yinhui HUANG 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2005年第6期866-870,共5页
Selective laser sintering (SLS) is a new process to prepare the polystyrene (PS)/Al2O3 nanocomposites. In this paper, with different laser power and other processing parameters unchanged, the morphology, density a... Selective laser sintering (SLS) is a new process to prepare the polystyrene (PS)/Al2O3 nanocomposites. In this paper, with different laser power and other processing parameters unchanged, the morphology, density and mechanical properties of the sintered specimens were investigated. It was found that nano-sized inorganic particles are uniformly located in the PS matrix and the maximum density of the sintered specimens with pure PS powder reaches 1.07 g/cm^3, higher than 1.04 g/cm^3 that of the sintered specimens with mixture powder. Due to strengthening and toughness of the nano-sized Al2O3 inorganic particles, the maximum notched impact strength and tensile strength of the sintered part mixed with nano-sized inorganic particles are improved greatly from 7.5 to 12.1 kJ/m^2 and from 6.5 to 31.2 MPa, respectively, under the same sintering condition. 展开更多
关键词 Selective laser sintering (SLS) NANOCOMPOSITES Polystyrene (PS) nano-Al2O3 Laser power Mechanical properties MORPHOLOGY
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Effect of Al2O3np on the Properties and Microstructure of B4Cp/Al Composites 被引量:4
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作者 LIU Tingting PANG Xiaoxuan +2 位作者 XIAN Yajiang LUO Hao ZHANG Pengcheng 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2020年第3期514-519,共6页
Aluminum-matrix boron carbide (B4Cp/Al) is a kind of neutron absorbing material widely used in nuclear spent fuel storage. In order to improve the tensile property of B4Cp/Al composites, a new type of nano-Al2O3 parti... Aluminum-matrix boron carbide (B4Cp/Al) is a kind of neutron absorbing material widely used in nuclear spent fuel storage. In order to improve the tensile property of B4Cp/Al composites, a new type of nano-Al2O3 particle (Al2O3np) reinforced B4Cp/Al + Al2O3np composites were prepared by powder metallurgy method. The Monte Carlo particle transport program (MCNP) was used to determine the influence of Al2O3np on the thermal neutron absorptivity of composites. The universal material testing machine and scanning electron microscope (SEM) were used to study the mechanical properties, microstructure and fracture morphology of B4Cp/Al composites. The results indicated that the neutron absorption properties of B4Cp/Al composites were not affected by the addition of nano-Al2O3 particles in the range of 1 wt%-15 wt%. The addition of Al2O3np can obviously reduce the grain size of B4Cp/Al matrix metals thus improve the tensile strength of the composites. The addition threshold of Al2O3np is about 2.5 wt%. Both B4Cp and Al2O3np change the fracture characteristics of the composites from toughness to brittleness, and the latter is more important. 展开更多
关键词 B4Cp/Al composites nano-Al2O3 particles PROPERTIES MICROSTRUCTURE
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Characteristics and properties of SiO_2-Al_2O_3/EP-PU composite 被引量:3
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作者 陈宇飞 代起望 +1 位作者 林彩威 冯涛 《Journal of Central South University》 SCIE EI CAS 2014年第11期4076-4083,共8页
SiO2-Al2O3/EP-PU nanocomposites, which contained polyurethane(PU) flexible chain, were prepared via epoxy resin, PU and modified silica and alumina particles. Silica and alumina particles were modified by coupling age... SiO2-Al2O3/EP-PU nanocomposites, which contained polyurethane(PU) flexible chain, were prepared via epoxy resin, PU and modified silica and alumina particles. Silica and alumina particles were modified by coupling agents KH-560 and KH550, respectively. EP-PU was used as matrix, PU as toughening agent, Si O2-Al2O3 as filled and MTHPA as curing agent. The mass ratio of PU was 30% in this system. The chemical structure of the products was confirmed by FT-IR measurements, the morphological structure of fracture surface and the surface of the hybrid materials were observed by scanning electron microscope(SEM) and transmission electron microscope(TEM), and shearing strength and breakdown field were measured, respectively. When the mass fraction of inorganic component was 10% and the mass ratio of Si O2 to Al2O3 was 4.5:5.5, shearing strength of Si O2-Al2O3/EP-PU was 28.5 MPa and breakdown field was 15 k V/mm, the data could meet the property requirement of insulating material. 展开更多
关键词 nano-SiO2 nano-Al2O3 epoxy resin polyurethane property
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纳米β-硅酸钙/硒的制备及其抗菌性能 被引量:1
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作者 刘玉昆 纪祥娟 +3 位作者 梅琳 崔冉 周兴平 倪似愚 《东华大学学报(自然科学版)》 CAS CSCD 北大核心 2018年第2期244-248,共5页
为进一步提高β-硅酸钙(β-CaSiO_3)的抗菌活性,在通过油水界面法合成纳米β-CaSiO_3的基础上,结合氧化还原法引入红色纳米硒(Se),制备出纳米β-硅酸钙/硒(β-CaSiO_3/Se)复合物。采用X射线电子能谱(EDS)和X射线衍射(XRD)对β-CaSiO_3/S... 为进一步提高β-硅酸钙(β-CaSiO_3)的抗菌活性,在通过油水界面法合成纳米β-CaSiO_3的基础上,结合氧化还原法引入红色纳米硒(Se),制备出纳米β-硅酸钙/硒(β-CaSiO_3/Se)复合物。采用X射线电子能谱(EDS)和X射线衍射(XRD)对β-CaSiO_3/Se的成分和物相进行表征,进一步采用透射电子显微镜(TEM)观察样品微观形貌。选用大肠杆菌(E.coli)和金黄色葡萄球菌(S.aureus)测试纳米β-CaSiO_3和β-CaSiO_3/Se的抗菌性能。结果表明,本方法成功制得纳米β-CaSiO_3/Se复合物,其中纳米Se晶型为六方晶型。体外抗菌测试表明,纳米β-CaSiO_3/Se对E.coli和S.aureus均具有优良的抗菌性能。纳米β-CaSiO_3/Se与E.coli和S.aureus接触培养24h的抑菌率分别达到(92±4)%和(95±4)%。纳米β-CaSiO_3/Se有望作为新型多功效生物材料在生物医学领域获得应用。 展开更多
关键词 纳米β-硅酸钙 抗菌性能
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Methanation of Syngas over Ni-Based Catalysts with Different Supports
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作者 Buyan-Ulzii Battulga Munkhdelger Chuluunsukh Enkhsaruul Byambajav 《Advances in Chemical Engineering and Science》 2020年第2期113-122,共10页
CO methanation over the 20% nickel catalyst prepared by impregnation-precipitation method on different supports of commercial γ-Al2O3, TiO2, SiO2 and nano-γ-Al2O3* was investigated. The nano-γ-Al2O3* support was pu... CO methanation over the 20% nickel catalyst prepared by impregnation-precipitation method on different supports of commercial γ-Al2O3, TiO2, SiO2 and nano-γ-Al2O3* was investigated. The nano-γ-Al2O3* support was pulverized using a ball milling method. Catalyst characterization was done using the methods of BET, XRD, SEM, ICP-OES methods. Carbon monoxide methanation process was carried out at the temperature of 350&#176C in pressure of 3 bar of H2:CO syngas with the molar ratio of 3:1 and with the GHSV of 3000 h-1 in a fixed bed reactor. The initial temperature of methane formation increased according to the order of Ni/γ-Al2O3* 2 γ-TiO2 γ-Al2O3. The Ni/γ-Al2O3*, which was prepared on the surface of nano milled γ-Al2O3 support, produced methane from the lowest temperature of 178&#176C to 350&#176C in CO methanation. The Ni/γ-Al2O3* catalyst gave the highest amount of methane (0.1224 mmol/g-cat) for 1 h methanation among other catalysts. XRD and SEM analysis proved that NiO particles in the Ni/γ-Al2O3* were finely distributed, and their sizes were smaller compared to those in the traditional one. The pulverization of γ-Al2O3 improved the dispersion of catalytic active nickel species inside porosity of the support leading to the improvement of its catalytic performance for CO methanation. 展开更多
关键词 CO HYDROGENATION Water-Gas SHIFT Reaction nano-γ-Al2O3 Methane PRODUCTIVITY
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微波辐射下KF/nano-γ-Al_(2)O_(3)催化合成二硫代氨基甲酸酯类化合物
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作者 陈赛赛 洪志 +5 位作者 黄霄瑜 吕晓青 李宗阳 胡心柔 阮馨颖 俞倩妍 《化学通报》 CAS CSCD 北大核心 2021年第6期596-603,共8页
本文报道以缺电子烯烃、胺类和二硫化碳为原料,以PEG-400为溶剂,在固体碱KF/nano-γ-Al_(2)O_(3)催化下,经微波辅助的Michael加成反应高效地合成二硫代氨基甲酸酯类化合物,收率为76.5%~91.6%。对催化剂、溶剂、微波功率、反应时间等影... 本文报道以缺电子烯烃、胺类和二硫化碳为原料,以PEG-400为溶剂,在固体碱KF/nano-γ-Al_(2)O_(3)催化下,经微波辅助的Michael加成反应高效地合成二硫代氨基甲酸酯类化合物,收率为76.5%~91.6%。对催化剂、溶剂、微波功率、反应时间等影响因素进行了考察,确定了优化的反应条件。该方法具有反应时间短、收率高和环境友好等特点。另外,本文还报道了苯甲醛、酮类、胺类与二硫化碳四组分在PEG-400溶液中,在固体碱KF/nano-γ-Al_(2)O_(3)催化下,经微波辐射"一锅法"合成二硫代氨基甲酸酯类化合物的反应,收率为73.4%~82.8%。 展开更多
关键词 二硫代氨基甲酸酯类 微波辐射 Michael加成 KF/nano-γ-Al_(2)O_(3)
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数码派对
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作者 Lily YAO(摄影) 《品位》 2008年第2期110-111,共2页
谁说新年不可以过得更有趣,更摩登?2008的新年,就让我们一起参加这次数码派对,在科技之光的照耀下迎接新年!
关键词 数码产品 蓝调170-三星DC 531O-诺基亚手机 nano-苹果MP3
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A Multi-step Thermodynamic Model for Alumina Formation during Aluminum Deoxidation in Fe–O–Al Melt 被引量:1
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作者 Guo-Cheng Wang Qi Wang +2 位作者 Sheng-Li Li Xin-Gang Ai Da-Peng Li 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2015年第2期272-280,共9页
Based on the two-step nucleation mechanism, a multi-step thermodynamic model for alumina inclusion for- mation during aluminum deoxidation process was proposed in Fe-O-Al melt. Thermodynamic properties of metastable i... Based on the two-step nucleation mechanism, a multi-step thermodynamic model for alumina inclusion for- mation during aluminum deoxidation process was proposed in Fe-O-Al melt. Thermodynamic properties of metastable intermediates including (Al2O3)n clusters for prenucleation and α-Al2O3 nanoparticle for growth process were calculated using density functional theory. Furthermore, Gibbs free energy change of forming the intermediate by reaction between the dissolved aluminum (Al) and oxygen (O) in the melt was calculated. The results indicated that the thermodynamics of (Al2O3)n at steelmaking temperature are dependent on their structures, while that of α-Al2O3 nanoparticle are dependent on their size. The nuclei of α-Al2O3 which was originated from (Al2O3)n aggregated under a high supersaturation ratio of Al and O(Rs) in the melt. There existing excess oxygen because of the low Rs, but the secondary inclusions will be formed during the cooling process due to the excess oxygen. The nuclei lager than 20 nm can grow up spontaneously and instantaneously into primary inclusions because of thermodynamic drive. It is difficult to control the size of α-Al2O3 to be less than 20 nm, in the aluminum deoxidation process of the current conditions of steelmaking. 展开更多
关键词 Multi-step thermodynamics Fe-O-AI melt Aluminum deoxidation DFT nano-α-Al2O3
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