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Li_(2)O-GeO_(2)二元系功能晶体的熔体微结构的拉曼光谱定量研究
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作者 赵玉帆 尤静林 +7 位作者 王世祥 刘国鹏 夏翔 解迎芳 盛美琴 徐飞燕 TANG Kai LU Liming 《无机化学学报》 北大核心 2025年第8期1533-1544,共12页
采用固相烧结法制备了Li_(4)GeO_(4)、Li_(6)Ge_(2)O_(7)、Li_(2)GeO_(3)和Li_(2)Ge_(2)O_(5)四种Li_(2)O-GeO_(2)二元系晶体,并通过原位高温拉曼光谱技术结合理论计算的方法对晶态到熔态的结构演变过程以及熔体微结构进行定性和定量分... 采用固相烧结法制备了Li_(4)GeO_(4)、Li_(6)Ge_(2)O_(7)、Li_(2)GeO_(3)和Li_(2)Ge_(2)O_(5)四种Li_(2)O-GeO_(2)二元系晶体,并通过原位高温拉曼光谱技术结合理论计算的方法对晶态到熔态的结构演变过程以及熔体微结构进行定性和定量分析。研究表明:Li_(4)GeO_(4)、Li_(6)Ge_(2)O_(7)和Li_(2)GeO_(3)熔体分别由[GeO_(4)]^(4-)、[Ge_(2)O_(7)]^(6-)、[GeO_(3)]^(2-)和Li^(+)构成,而Li_(2)Ge_(2)O_(5)晶体在升温至熔融状态过程中由[GeO_(4)]^(4-)四面体形成的三维网络结构逐渐向更小的[Ge_(3)O_(9)]^(6-)三元环递变。另外,通过量子化学从头计算法对团簇结构单元进行了设计、优化和计算,并将理论计算模拟与实验相结合,提出了一种校正熔体实验拉曼光谱的新方法。我们通过引入精细结构概念并利用高斯函数对拉曼光谱中[GeO_(4)]^(4-)四面体非桥氧的伸缩振动包络峰进行了分峰解谱,得到了这4种晶体在熔融状态下的不同结构(Qi,i表示每个[GeO_(4)]^(4-)四面体中桥氧的个数,i=0~4)单元含量的定量分布。 展开更多
关键词 Li_(2)O-GeO_(2)晶体 高温拉曼光谱 量子化学从头计算 微结构定量
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Precipitation Softening and Precipitate Free Zones of V_(55)Ti_(30)Ni_(15) Alloys During Heat Treatment
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作者 Peng Jiang Yan-Dong Yu +3 位作者 Guang-Sheng Song Daniel Liang Michael Kellam Michael Dolan 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2015年第1期15-21,共7页
The microstructure, hardness, and precipitate free zones(PFZ) of V55Ti30Ni15 alloys during heat treatment have been investigated in this study. The microstructure resulting from different heat treatment conditions h... The microstructure, hardness, and precipitate free zones(PFZ) of V55Ti30Ni15 alloys during heat treatment have been investigated in this study. The microstructure resulting from different heat treatment conditions has a great influence on hardness. The microstructure resulting from different heat treatment conditions has a great influence on hardness. Fine Ni Ti particles precipitate from the supersaturated V-matrix solid solution at 750 °C, increase in quantity until 800 °C, and then dissolve back into the V-matrix at 850 °C. The resultant hardness decreases with temperature until 800 °C, and then increases from 800 to 850 °C. The microstructure containing small Ni Ti precipitates resulting from the treatment of 18 h at800 °C has a good soft condition for workability. PFZ formed at the grain boundary of V-matrix during heat treatment was observed. Vacancies depletion in V-matrix maybe led to the formation of PFZ. 展开更多
关键词 V–Ti–Ni Heat treatment Hardness Precipitation softening Precipitate free zones
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澳大利亚烟煤热解的拉曼光谱研究 被引量:30
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作者 柳晓飞 尤静林 +4 位作者 王媛媛 LU Li-ming 解迎芳 余立旺 伏清 《燃料化学学报》 EI CAS CSCD 北大核心 2014年第3期270-276,共7页
采用拉曼光谱考察了澳大利亚烟煤在常压、温度为298~1 473K条件下,不同热解气氛(Ar和N2)下的热解性能.结合AD/Aall 、AG/All、WG以及PG-PD等表征参数分析发现,澳大利亚烟煤的热解可以分为三个阶段:298~ 873 K为固有小分子和大分子... 采用拉曼光谱考察了澳大利亚烟煤在常压、温度为298~1 473K条件下,不同热解气氛(Ar和N2)下的热解性能.结合AD/Aall 、AG/All、WG以及PG-PD等表征参数分析发现,澳大利亚烟煤的热解可以分为三个阶段:298~ 873 K为固有小分子和大分子键能较弱处断裂分解产生的小分子化合物的析出沉积和挥发;873~1 273 K为大分子化合物裂解挥发和炭化;1 273~1 473K为焦炭的石墨化.在N2和Ar气氛经1473 K热处理后,焦炭的不同杂化结构的碳相对含量呈现明显差异.不同保温时间下,其煤焦碳结构演变趋势相似,但保温时间越长,越有利于小分子挥发分在较低温度的挥发. 展开更多
关键词 拉曼光谱 热解 澳大利亚烟煤 气氛 保温时间
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基于聚苯胺的pH电极及其在CO2检测中的应用研究 被引量:2
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作者 金妍 瞿晓虎 +2 位作者 陈淼 金庆辉 赵建龙 《传感技术学报》 CAS CSCD 北大核心 2013年第10期1468-1472,共5页
研制了一种基于聚苯胺( PANI)的石墨pH电极,并将其成功地应用于CO2的检测中。在苯胺和盐酸的混合液中采用循环伏安法实现苯胺在石墨电极上的电聚合。实验表明,此基于聚苯胺的石墨pH电极在pH 1~pH 12的范围内呈现出很好的响应:-63.8... 研制了一种基于聚苯胺( PANI)的石墨pH电极,并将其成功地应用于CO2的检测中。在苯胺和盐酸的混合液中采用循环伏安法实现苯胺在石墨电极上的电聚合。实验表明,此基于聚苯胺的石墨pH电极在pH 1~pH 12的范围内呈现出很好的响应:-63.80 mV/pH(T=23℃),-65.81 mV/pH(T=48℃)。根据Severinghaus原理,研究了此传感器在pH 4~pH 9内的pH响应情况,证明此聚苯胺修饰的石墨pH电极可被成功地应用于CO2的检测中,此CO2传感器在CO2浓度为0~1000 mbar的范围内,呈现很好的响应特性:S=42.25 mV/pCO2(mbar)=0.61 pH/pCO2(mbar),且线性度为0.9839。因此,所研制的基于PANI的石墨pH电极可应用于生物冶金中pH和CO2的检测中。 展开更多
关键词 PH电极 聚苯胺 循环伏安法 CO2 检测 生物冶金
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酸性环境中基于Ta_2O_5的场效应管pH传感器的研究 被引量:2
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作者 金妍 陈淼 +1 位作者 金庆辉 赵建龙 《传感器与微系统》 CSCD 北大核心 2014年第1期26-30,34,共6页
研制了一种基于Ta2O5敏感膜的场效应式pH传感器,此传感器对pH有较好的敏感性:pH为1—7的范围内呈现出-57.4mV/pH的响应,漂移性约为3mV,迟滞效应小于5mV,且无明显酸误差。对此传感器的电化学阻抗谱进行深入研究,并采用不同的等... 研制了一种基于Ta2O5敏感膜的场效应式pH传感器,此传感器对pH有较好的敏感性:pH为1—7的范围内呈现出-57.4mV/pH的响应,漂移性约为3mV,迟滞效应小于5mV,且无明显酸误差。对此传感器的电化学阻抗谱进行深入研究,并采用不同的等效电路来拟合此Si/SiO2/Ta2O5/电解液体系的响应机理,得出最佳的等效电路模型为RC(CR)(C(RW))。对拟合参数进行分析,此Ta2O5敏感膜与不同pH的电解液接触时,敏感膜与电解液的界面作用最终会引起半导体硅中空间电荷的变化,进而引起整个传感器结构的电容变化。制作的pH传感器稳定性好,适合于生物冶金过程(pH为1-4)的长时间连续监测。 展开更多
关键词 TA2O5 PH传感器 电化学阻抗谱 原子力显微镜 等效电路模型
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原位升温拉曼光谱研究煤和焦炭的结构 被引量:2
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作者 解迎芳 尤静林 +3 位作者 王媛媛 陆利明 柳晓飞 余立旺 《煤炭技术》 北大核心 2017年第6期293-295,共3页
对煤样品和焦炭样品分别用355 nm激光拉曼光谱仪进行原位升温拉曼光谱测试,将煤和焦炭样品分别升温至1 473 K进行研究。通过谱图解析研究和分析了煤和焦炭原位升温热解过程中其内部结构的变化。
关键词 焦炭 原位升温拉曼光谱
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On-line detection of Cu(II) in bioleaching system by anodic stripping differential pulse voltammetry 被引量:1
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作者 金妍 陈淼 +1 位作者 金庆辉 赵建龙 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2014年第2期582-587,共6页
On-line Cu (II) ion concentration detection in bioleaching system was achieved by anodic stripping differential pulse voltammetry (ASDPV). Good linearity between Cu (II) concentration and oxidation peak current ... On-line Cu (II) ion concentration detection in bioleaching system was achieved by anodic stripping differential pulse voltammetry (ASDPV). Good linearity between Cu (II) concentration and oxidation peak current was obtained when Cu (II) existed in 0K media in the concentration range of 1μmol/L (64μg/L) to 1 mmol/L (64 mg/L). Moreover, when 0.2 mol/L KCl was added into this media, the linear detection range could be extended from 1 mmol/L to 100 mmol/L (6.4 g/L). The reduction of Cu (II) to metallic copper was shown to proceed as two successive single-electron transfer reactions involving an intermediate chemical step where the cuprous ion (Cu+) was complexed by chloride to form the dichlorocuprous anion (CuCl-). In addition, interference effect was also investigated when Fe3+existed in the media, which was the common situation in the copper bioleaching system. The results showed no interference effect once the concentration of Fe3+was less than 100 mmol/L (5.6 g/L). 展开更多
关键词 peak current Fe3+interference
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碱金属钨酸盐晶体与熔体微结构与特征拉曼振动波数的相关性
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作者 王建 尤静林 +1 位作者 王敏 LU Liming 《光散射学报》 2018年第3期223-229,共7页
本文选取了5种锂钨酸盐晶体结构,搭建了8种含Na+阳离子的团簇模型,并分别基于MS(materials studio)软件的CASTEP(cambrigde serial total energy package)模块和Gaussian09软件对其拉曼振动波数和散射活性进行了DFT(密度泛函理论)计算... 本文选取了5种锂钨酸盐晶体结构,搭建了8种含Na+阳离子的团簇模型,并分别基于MS(materials studio)软件的CASTEP(cambrigde serial total energy package)模块和Gaussian09软件对其拉曼振动波数和散射活性进行了DFT(密度泛函理论)计算。通过分析,发现晶体中W-Onb(non-bridging oxygen,即非桥氧)键对称伸缩振动波数随其键长的减小而增大,在熔体中也存在类似关系。为反映局部应力对W-Onb键对称伸缩振动波数的影响,在本工作中分别对晶体和熔体中的微结构进行了指认。结果表明,在Li_2O-WO_3二元系中,构成晶体的主要阴离子基团为[WO_6]^(6-),且该基团W-Onb键的对称伸缩振动波数随着桥氧数的增大而增大;在熔体中W-Onb键的对称伸缩振动波数一般为[WO_4]^(2-)>[WO_5]^(4-)>[WO_6]^(6-),且当W-O基团确定后,该振动波数会随着桥氧数的增大而增大。该相关性有助于碱金属钨酸盐晶体及熔体结构中阴离子基团的诊断与鉴别。本文测定了A2WnO3n+1(A=Li,Na,K;n=1,2,3)共9种成分熔体的原位拉曼光谱,以验证该相关性。 展开更多
关键词 拉曼光谱 DFT 钨酸盐微结构
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煤焦油的拉曼光谱表征和组分识别 被引量:4
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作者 余立旺 尤静林 +4 位作者 王媛媛 LU Li-ming 解迎芳 柳晓飞 伏清 《燃料化学学报》 EI CAS CSCD 北大核心 2015年第5期530-536,共7页
用355 nm激光作为激发光源检测了煤焦油常温拉曼光谱;应用两种量子化学计算程序(Gaussian-DFT和ADF)模拟了占总量1%以上的15种煤焦油组分的拉曼光谱,模拟结果与实验光谱能较好匹配,并对振动模式进行了归属分析。研究表明,煤焦油组分主... 用355 nm激光作为激发光源检测了煤焦油常温拉曼光谱;应用两种量子化学计算程序(Gaussian-DFT和ADF)模拟了占总量1%以上的15种煤焦油组分的拉曼光谱,模拟结果与实验光谱能较好匹配,并对振动模式进行了归属分析。研究表明,煤焦油组分主要由共轭六元环构成,其拉曼光谱特征谱带主要在1 660、1 420和1 265 cm-1附近,当共轭六元环成链式结构时,1 420 cm-1谱带特征明显;五元环嵌入共轭六元环链式结构会导致其拉曼光谱在1 265和1 660 cm-1谱带相对强度增大;五元环、杂原子基团和甲基侧链依附在共轭六元环上,则对组分的拉曼光谱影响不显著。 展开更多
关键词 拉曼光谱 煤焦油 量子化学计算
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几种铁氧化合物微观结构及其拉曼光谱研究 被引量:5
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作者 龚晓晔 尤静林 +1 位作者 王建 Liming Lu 《光谱学与光谱分析》 SCIE EI CAS CSCD 北大核心 2018年第S1期241-242,共2页
实验测定了α-Fe_2O_3,Fe_3O_4,FeO和α-FeOOH等的拉曼光谱,同时,利用密度泛函理论方法对以上四种铁氧化合物的拉曼振动波数和散射活性进行模拟计算,对其特征峰进行归属。结果表明FeO没有拉曼活性,α-Fe_2O_3在606和483cm^(-1)分别是六... 实验测定了α-Fe_2O_3,Fe_3O_4,FeO和α-FeOOH等的拉曼光谱,同时,利用密度泛函理论方法对以上四种铁氧化合物的拉曼振动波数和散射活性进行模拟计算,对其特征峰进行归属。结果表明FeO没有拉曼活性,α-Fe_2O_3在606和483cm^(-1)分别是六配位Fe的双桥氧的对称和反对称伸缩振动,413cm^(-1)主要是六配位Fe的双桥氧的对称弯曲振动;Fe_3O_4在610和526cm^(-1)分别是连接四配位与六配位Fe的单桥氧的对称和反对称伸缩振动,464和420cm^(-1)分别是连接四配位与六配位Fe的单桥氧的反对称剪切和对称剪切振动;α-FeOOH在671和614cm^(-1)分别是六配位铁的单桥氧的反对称和对称伸缩振动,504和427cm^(-1)分别是六配位铁的单桥氧的对称与反对称弯曲振动。 展开更多
关键词 拉曼光谱 铁氧化合物 密度泛函理论
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Enrichment of ferric iron on mineral surface during bioleaching of chalcopyrite 被引量:1
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作者 彭堂见 周丹 +6 位作者 刘学端 余润兰 姜涛 顾帼华 陈淼 邱冠周 曾伟民 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2016年第2期544-550,共7页
In order to investigate the enrichment of ferric iron bound by extracellular polymeric substance (EPS) on the mineral surface during bioleaching of chalcopyrite, several methods including sonication, heating and vor... In order to investigate the enrichment of ferric iron bound by extracellular polymeric substance (EPS) on the mineral surface during bioleaching of chalcopyrite, several methods including sonication, heating and vortexing were used and sonication at 48℃ was shown as a good way to extract ferric iron. Scanning electron microscope (SEM) and energy dispersive X-ray spectrometer (EDX) analysis showed that lots of cracks and pits can be found on the chalcopyrite surface after bioleaching and that iron oxide was filled in these cracks and pits. The variations of contents of ferric iron and EPS on the chalcopyrite surface were investigated. The results indicated that the content of EPS increased rapidly in the first 10 d and then maintained at a stable level, while ferric iron content increased all the time, especially in the later stage of bioleaching. 展开更多
关键词 CHALCOPYRITE ferric iron extracellular polymeric substance EXTRACTION sonication BIOLEACHING
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Comparison of bioleaching of chalcopyrite concentrates with mixed culture after cryopreservation with PEG-2000 in liquid nitrogen 被引量:2
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作者 WU Xue-ling WU Xiao-yan +8 位作者 DENG Fan-fan SHEN Li LI Jiao-kun PENG Tang-jian YU Run-lan LIU Yuan-dong CHEN Miao QIU Guan-zhou ZENG Wei-min 《Journal of Central South University》 SCIE EI CAS CSCD 2020年第5期1386-1394,共9页
A mixed culture of bioleaching microorganisms was enriched.Then the mixed culture was preserved by liquid nitrogen cryopreservation for 6 months and 12 months,respectively,using PEG-2000 as the protective agent.The ch... A mixed culture of bioleaching microorganisms was enriched.Then the mixed culture was preserved by liquid nitrogen cryopreservation for 6 months and 12 months,respectively,using PEG-2000 as the protective agent.The chalcopyrite leaching ability,activity and diversity of the mixed culture before and after preservation were compared.The results showed that the copper extraction rate was 95.7%in chalcopyrite bioleaching within 20 d by the original culture.After cryopreservation for 6 months and 12 months,the copper extraction rate of the mixed culture was 94.9%within 25 d and 93.6%within 35 d,respectively.The cell viability achieved 87%and 41%after being preserved for 6 months and 12 months,respectively.Furthermore,the ecology analysis identified Acidithiobacillus ferrooxidans,Acidithiobacillus caldus,Sulfobacillus thermotolerans and Pseudomonas aeruginosa in the original mixed culture.After cryopreservation for 12 months,the composition of community changed,but the predominant microorganisms still existed. 展开更多
关键词 mixed cultures chalcopyrite bioleaching PEG-2000 CRYOPRESERVATION microbial community
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冰晶石的温致相变及熔盐微结构的定量解析
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作者 张福 尤静林 +4 位作者 王建 王敏 龚晓晔 唐晓辉 Liming Lu 《光散射学报》 2022年第1期78-84,共7页
本工作制备了NaF-AlF_(3)二元系中分子比CR=3的冰晶石晶体,构建了一系列铝氟团簇结构模型,运用显微共焦Raman光谱检测技术与第一性原理理论计算相结合,观察和研究了冰晶石从单斜-立方-六方晶系的温致相变过程,并对熔盐实验拉曼光谱进行... 本工作制备了NaF-AlF_(3)二元系中分子比CR=3的冰晶石晶体,构建了一系列铝氟团簇结构模型,运用显微共焦Raman光谱检测技术与第一性原理理论计算相结合,观察和研究了冰晶石从单斜-立方-六方晶系的温致相变过程,并对熔盐实验拉曼光谱进行散射截面校正、分峰解谱,分析了NaF-AlF_(3)二元体系中AlF_(4)^(-)(622-628 cm^(-1))、AlF_(5)^(2-)(555-560 cm^(-1))、AlF_(6)^(3-)(510~515 cm^(-1))等阴离子团簇的Raman特征峰位置,定量解析了冰晶石熔盐微结构中的多种阴离子团簇,其摩尔百分含量分别为AlF_(4)^(-)(2.7%)、AlF_(5)^(2-)(25.8%)、AlF_(6)^(3-)(40.4%)、F^(-)(31.3%)。 展开更多
关键词 冰晶石 拉曼光谱 温致相变 散射截面 结构定量
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Succession of Bacterial Community Inhabited Acid Mine Drainage under High Fe(Ⅱ) Concentration
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作者 M.X. Wan Y. Yang +4 位作者 W.M. Zeng J.L. Xia X.D. Liu W.Q. Qin G.Z. Qiu 《Journal of Environmental Science and Engineering》 2010年第8期46-55,共10页
To reveal the effects of Fe2+ on bacterial communities in the early stages of minerals dissolution, two different acid mine drainage (AMD) samples were collected at Dabaoshan Mine and Shenbu Mine. Community success... To reveal the effects of Fe2+ on bacterial communities in the early stages of minerals dissolution, two different acid mine drainage (AMD) samples were collected at Dabaoshan Mine and Shenbu Mine. Community successions of AMD niches were analyzed by Amplified Ribosomal DNA Restriction Analysis (ARDRA), sequencing, and phylogenetic analysis in original AMD samples and their subculture under Fe2+ concentrations. Although geochemical properties and community structures were greatly different between the two original AMD samples, bacterial community successions were still very similar under high Fe2+ concentrations. The results showed that Acidithiobacillus ferrooxidans have competitive relationship with other bacterial species living in the AMD, including species that were also capable of oxidizing ferrous ion. A competitive relationship among different At. ferrooxidans strains likewise existed. Some of At. ferrooxidans can grow first under conditions of high ferrous ion concentration, and other At. ferrooxidans species decreased gradually and disappeared. This suggested that these species of At. ferrooxidans are most acidophilic bacteria and afford Fe3+ to leach other metallic ion in the early stages of minerals dissolution. 展开更多
关键词 Bacterial diversity SUCCESSION acid mine drainage amplified ribosomal DNA restriction analysis.
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