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Ni/SiO_2溶胶稳定性及凝胶材料的物相化学结构
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作者 杨靖 李泓君 +2 位作者 郭英明 李波 侯海云 《化学工程》 CAS CSCD 北大核心 2019年第2期47-53,共7页
以甲基三乙氧基硅烷为疏水性前驱物,Ni(NO_3)_2·6H_2O为镍源,采用溶胶-凝胶法制备镍掺杂型SiO_2杂化(Ni/SiO_2)溶胶,研究镍掺杂对SiO_2溶胶黏度、密度、反应速率常数、黏滞性活化吉布斯自由能、稳定性、粒径分布和化学结构的影响以... 以甲基三乙氧基硅烷为疏水性前驱物,Ni(NO_3)_2·6H_2O为镍源,采用溶胶-凝胶法制备镍掺杂型SiO_2杂化(Ni/SiO_2)溶胶,研究镍掺杂对SiO_2溶胶黏度、密度、反应速率常数、黏滞性活化吉布斯自由能、稳定性、粒径分布和化学结构的影响以及350℃焙烧前后材料物相、化学结构的变化。结果表明:随着镍摩尔分数的增加,Ni/SiO_2溶胶的黏度、密度、平均粒径、反应速率常数和黏滞性活化吉布斯自由能逐渐增大,溶胶的Zeta电位则逐渐减小。黏滞性活化吉布斯自由能的增加使分子间的分散性降低,溶胶的稳定性减弱。Ni/SiO_2溶胶及凝胶材料中镍元素主要以Ni(NO_3)_2·6H_2O的形式存在,其化学结构主要以Si—O—Si,Si—CH_3和Si—OH键为主,在空气气氛中经350℃焙烧后,材料的物相、化学结构发生了变化, Ni^(2+)转变成了NiO和Ni—O—Si形式。 展开更多
关键词 溶胶-凝胶法 镍掺杂 黏滞性活化吉布斯自由能 稳定性 物相-化学结构
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Siderite pyrolysis in suspension roasting:An in-situ study on kinetics,phase transformation,and product properties 被引量:3
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作者 ZHANG Qi SUN Yong-sheng +2 位作者 QIN Yong-hong GAO Peng YUAN Shuai 《Journal of Central South University》 SCIE EI CAS CSCD 2022年第6期1749-1760,共12页
Siderite,as an abundant iron ore,has not been effectively utilized,with a low utilization rate.In this study,the in-situ kinetics and mechanism of siderite during suspension magnetization roasting(SMR)were investigate... Siderite,as an abundant iron ore,has not been effectively utilized,with a low utilization rate.In this study,the in-situ kinetics and mechanism of siderite during suspension magnetization roasting(SMR)were investigated to improve the selective conversion of siderite to magnetite and CO,enriching the theoretical system of green SMR using siderite as a reductant.According to the gas products analyses,the peak value of the reaction rate increased with increasing temperature,and its curves presented the feature of an early peak and long tail.The mechanism function of the siderite pyrolysis was the contraction sphere model(R_(3)):f(α)=3(1−α)2/3;E_(α)was 46.4653 kJ/mol;A was 0.5938 s^(−1);the kinetics equation was k=0.5938exp[−46.4653/(RT)].The in-situ HT-XRD results indicated that siderite was converted into magnetite and wüstite that exhibited a good crystallinity in SMR under a N_(2) atmosphere.At 620℃,the saturation magnetization(M_(s)),remanence magnetization(Mr),and coercivity(Hc)of the product peaked at 53.63×10^(-3)A·m^(2)/g,10.23×10^(-3)A·m^(2)/g,and 12.40×10^(3)A/m,respectively.Meanwhile,the initial particles with a smooth surface were transformed into particles with a porous and loose structure in the roasting process,which would contribute to reducing the grinding cost. 展开更多
关键词 SIDERITE suspension magnetization roasting reaction kinetics phase transformation magnetic transition microstructure evolution
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Investigation of GaN Growth Directly on Si (001) by ECR Plasma Enhanced MOCVD 被引量:1
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作者 徐茵 顾彪 +2 位作者 秦福文 李晓娜 王三胜 《Journal of Semiconductors》 EI CAS CSCD 北大核心 2002年第12期1238-1244,共7页
Direct growth of GaN films on Si(001) substrate at low temperatures (620~720℃) by electron cyclotron resonance (ECR) microwave plasma enhanced metalorganic chemical vapor deposition (PEMOCVD).The crystalline phase s... Direct growth of GaN films on Si(001) substrate at low temperatures (620~720℃) by electron cyclotron resonance (ECR) microwave plasma enhanced metalorganic chemical vapor deposition (PEMOCVD).The crystalline phase structures of the films are investigated.The results of high resolution transmission electron microscopy (HRTEM) and X ray diffraction (XRD) indicate that high c axis oriented crystalline wurtzite GaN is grown on Si(001) but there is an amorphous layer formed naturally at GaN/Si interface.Both faces of the amorphous layer are flat and sharp,and the thickness of the layer is 2nm approximately cross the interface.The analysis supports that β GaN phase is not formed owing to the N x Si y amorphous layer induced by the reaction between N and Si during the initial nucleation stage.The results of XRD and atomic force microscopy (AFM) indicate that the conditions of substrate surface cleaned in situ by hydrogen plasma,GaN initial nucleation and subsequent growth are very important for the crystalline quality of GaN films. 展开更多
关键词 PEMOCVD GaN/Si(001) interface crystalline phase structure
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Correlation between Chemical Structure and Biological Activity of Host-Selective Plant Pathogen Mycotoxins
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作者 WEI Shuhua LIANG Jun +1 位作者 WE Jianren ZHANG Xingyao 《Chinese Forestry Science and Technology》 2007年第1期62-68,共7页
Toxin, one of the most important factors of plant fungal disease, has attracted much attention of many academicians who have been studying pathogen mycotoxin in deep research. The paper summarized chemical structures ... Toxin, one of the most important factors of plant fungal disease, has attracted much attention of many academicians who have been studying pathogen mycotoxin in deep research. The paper summarized chemical structures of some host-selective plant pathogen mycotoxins discovered in recent years and the correlation between biological activity and chemical structure of toxin. 展开更多
关键词 plant pathogen fungi host-selective toxin chemical structure biological activity
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A molecular dynamics and computational study of human KAT3 involved in KYN pathway
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作者 XU Yu ZHENG QingChuan +2 位作者 YU LiYing ZHANG HongXing SUN ChiaChung 《Science China Chemistry》 SCIE EI CAS 2013年第4期514-523,共10页
Kynurenine aminotransferases (KATs) catalyze the transamination of kynurenine (KYN) pathway and endogenous KYNs have been suggested to highly correlate to abnormal brain diseases. HKAT3 is a key member of KAT fami... Kynurenine aminotransferases (KATs) catalyze the transamination of kynurenine (KYN) pathway and endogenous KYNs have been suggested to highly correlate to abnormal brain diseases. HKAT3 is a key member of KAT family, while the binding mechanism of KYN and cofactor with HKAT3 has not been determined yet. In this study, we focus on the structure-function relationship among KYN, cofactor and HKAT3. The binding models of KYN complex and KYN&cofactor complex were ob- tained and were studied by molecular dynamics (MD) simulations. We identified several critical residues and influence of conformational changes in human kynurenine aminotransferase 3 (HKAT3) complexes. The cofactor may contribute largely not only to the catalysis, but also to the binding. In addition, a hypothesis is proposed that a strong hydrophobic interaction between Tyr159 and Lys280 may influence the binding mode and the binding region of the substrate and the cofactor. Our re- suits will be a good starting point for further determination of the biological role. 展开更多
关键词 kynurenine (KYN) kynurenine aminotransferases (KATs) ^-~ interaction molecular dynamic (MD) simulation interaction energy
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