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Influence of Replacement Level of Coal-series Kaolin on Hydration of Ordinary Portland Cement by X-ray Diffraction/Rietveld Method 被引量:1
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作者 刘园圆 雷绍民 +2 位作者 LI Yang XIE Feixiang LI Bo 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2019年第3期614-621,共8页
The influence of replacement level of calcined coal-series kaolin (CCK) on hydration of ordinary Portland cement (OPC) was studied by X-ray diffraction(XRD)/Rietveld method. X-ray diffraction/ Rietveld method was used... The influence of replacement level of calcined coal-series kaolin (CCK) on hydration of ordinary Portland cement (OPC) was studied by X-ray diffraction(XRD)/Rietveld method. X-ray diffraction/ Rietveld method was used to quantify the crystalline phase composition of the hydrated samples. Additionally, the morphology of hydrated samples was observed by scanning electron microscopy (SEM). The results showed that, calcium hydroxide (CH), ettringite (AFt) and amorphous phase content in hydrated samples decreased as the replacement level of CCK increased, while AFm and stratiingite increased, which was caused by the combination of dilute, physical and pozzolanic effects. The hydration of anhydrous cement phases was accelerated by physical effect but hindered by the retardation effect of CCK. The role of each effects was discussed in detail to analyze the mechanism of OPC hydration with CCK addition. The SEM images showed that the shortening of AFt at 1 day and the denser texture at 28 days was observed with CCK addition, which was caused by the physical and pozzolanic effects, respectively. 展开更多
关键词 CALCINED coal-series KAOLIN x-ray diffraction/rietveld method HYDRATION cement PASTE morphology
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DIFFERENTIAL SCANNING CALORIMETRY AND X-RAY DIFFRACTION STUDIES ON AGING BEHAVIOR OF Zn-Al ALLOYS 被引量:2
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作者 X.L. Xu, Z. W. Yu, S.J. Ji, J.C. Sun and Z.K. Hei (Dalian Maritime University, Dalian 116024, China) 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2001年第2期109-114,共6页
Decomposition processes of the quenched Zn-Al alloys were studied by differential scanning calorimetry (DSC), X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that the stabilities o... Decomposition processes of the quenched Zn-Al alloys were studied by differential scanning calorimetry (DSC), X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that the stabilities of supersaturated solid solution (SSS) of Zn-Al alloy and α' phase formed by quenching would reduce with the increase of Zn content and the precipitation of η-Zn phases even when aging at ambient temperature, so that the exothermic precipitation peak in DSC curve would disappear. The activation energy of the η-Zn precipitation and the reaction enthalpy were calculated and measured. The kinetics of α' decomposition or η-Zn formation was determined by XRD. The microstructure change during aging was observed by TEM. 展开更多
关键词 Aging of materials Aluminum alloys Differential scanning calorimetry x ray diffraction
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Microfibril angle variability in Masson Pine (Pinus massoniana Lamb.) using X-ray diffraction 被引量:1
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作者 Zhang Bo Fei Ben-hua +1 位作者 Yu Yan Zhao Rong-jun 《Forestry Studies in China》 CAS 2007年第1期33-38,共6页
The microfibril angle of fiber walls is an ultra-mieroscopic feature affecting the performance of wood products. It is therefore essential to get more definitive information to improve selection and utilization. X-ray... The microfibril angle of fiber walls is an ultra-mieroscopic feature affecting the performance of wood products. It is therefore essential to get more definitive information to improve selection and utilization. X-ray diffraction is a rapid method for measuring microfibril angles. In this paper, the variability of microfibril angle in plantation-grown Masson pine was investigated by peak-fitting method. This method was compared with the traditional hand-drawn method, 40% peak height method and half peak height method. X-ray diffraction measurements indicated that the microfibril angle changed as a function of the position in the tree. The mean microfibril angle decreased more gradually as the distance increased from the pith and reached the same level in mature wood. The microfibril angle also seemed to decrease clearly from the base upward. Differences of angle-intensity curves between heartwood and sapwood were also examined. 展开更多
关键词 x-ray diffraction microfibril angle peak-fitting method half peak height method Masson pine
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X-ray Powder Diffraction Data and Crystal Structure of NiSbY
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作者 曾令民 李均钦 +2 位作者 张丽萍 庄应烘 郝建民 《Rare Metals》 SCIE EI CAS CSCD 1996年第1期67-70,共4页
X-ray powder diffraction data and crystal structure of NiSbY compound were studied by X-ray powderdiffraction. The compound belongs to the space group F43 m with MgAgAs structure type, and the parameters Z=4, a=0.6307... X-ray powder diffraction data and crystal structure of NiSbY compound were studied by X-ray powderdiffraction. The compound belongs to the space group F43 m with MgAgAs structure type, and the parameters Z=4, a=0.63075(2) nm. 展开更多
关键词 ANTIMONY Crystal structure diffraction NICKEL x rays YTTRIUM
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X-RAY POWDER DIFFRACTION DATA AND STRUCTURAL PARAMETERS FOR RECOMPOUND NdCo_0.6Sb_2
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作者 Zeng, Lingmin Wu, Shiwei +4 位作者 Qin, Wen Zhang, Liping Yan, Jialin Hao, Jianmin Nong, Liangqin 《中国有色金属学会会刊:英文版》 EI CSCD 1997年第2期61-63,共3页
XRAYPOWDERDIFFRACTIONDATAANDSTRUCTURALPARAMETERSFORRECOMPOUNDNdCo0.6Sb2①ZengLingmin,WuShiwei,QinWen,ZhangLi... XRAYPOWDERDIFFRACTIONDATAANDSTRUCTURALPARAMETERSFORRECOMPOUNDNdCo0.6Sb2①ZengLingmin,WuShiwei,QinWen,ZhangLiping,YanJialin,Ha... 展开更多
关键词 RE COMPOUND NdCo 0.6 SB 2 x ray diffraction data structural PARAMETERS
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X-RAY POWDER DIFFRACTION DATA AND STRUCTURAL REFINEMENT OF Er3Co6Sn5
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作者 He, Wei Zeng, Lingmin +2 位作者 Qin, Wen Yan, Jialin Hao, Jianmin 《中国有色金属学会会刊:英文版》 EI CSCD 1999年第1期88-90,共3页
1INTRODUCTIONRaremetalsandtheircompoundshaveoutstandingpropertiesandarepaidincreasingatentionto.Numerousin... 1INTRODUCTIONRaremetalsandtheircompoundshaveoutstandingpropertiesandarepaidincreasingatentionto.Numerousinvestigationsinthe... 展开更多
关键词 ER 3Co 6Sn 5 x ray POWDER diffraction Rietveld STRUCTURAL REFINEMENT
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X-RAY POWDER DIFFRACTION DATA AND STRUCTURE REFINEMENT OF COMPOUND ErNi_2Si_2
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作者 Yan, JL Ou, XL Zeng, LM 《中国有色金属学会会刊:英文版》 CSCD 1998年第4期91-94,共4页
1INTRODUCTIONTherareearthcompoundsRET2Si2,whereREisarareearthelementandTisatransitionmetalelement,havebeenst... 1INTRODUCTIONTherareearthcompoundsRET2Si2,whereREisarareearthelementandTisatransitionmetalelement,havebeenstudiedwithgreatin?.. 展开更多
关键词 ErNi 2Si 2 x ray POWDER diffraction RIETVELD STRUCTURE REFINEMENT
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Crystal Structure and X-ray Powder Diffraction Data for Rare Earth Compound PrNiSn
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作者 吴世伟 曾令民 +3 位作者 谭立真 张丽萍 严嘉琳 郝建民 《Rare Metals》 SCIE EI CAS CSCD 1999年第1期56-60,共5页
The compound PrNiSn was studied by X ray powder diffraction technique. The crystal structure and the X ray diffraction data for this compound at room temperature were reported. The compound PrNiSn is orthorhombic wi... The compound PrNiSn was studied by X ray powder diffraction technique. The crystal structure and the X ray diffraction data for this compound at room temperature were reported. The compound PrNiSn is orthorhombic with lattice parameters a =0.74569(3) nm, b =0.76851(5) nm, c =0.45676(8) nm, V =0.26176 nm 3, Z =4 and D x=8.076 g·cm -3 , space group Pna2 1(33). The figure of merit F N for the compound is F 30 =54 (0.0093, 60). 展开更多
关键词 PrNiSn x ray diffraction data Crystal structure
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Xray Diffraction Data and Rietveld Structure Refinement for CeNi_5Sn
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作者 何维 曾令民 +1 位作者 区向丽 吴自勤 《Journal of Rare Earths》 SCIE EI CAS CSCD 1999年第3期234-236,共3页
The compound CeNi 5Sn was studied by means of X ray powder diffraction technique and refined by Rietveld method. It has a hexagonal structure with space group P 6 3/ mmc (No.194), Z =4, the lattice constant... The compound CeNi 5Sn was studied by means of X ray powder diffraction technique and refined by Rietveld method. It has a hexagonal structure with space group P 6 3/ mmc (No.194), Z =4, the lattice constants a =0 48912(3) nm, c =1 973(2) nm and D x=8 974 g·cm -3 . The Rietveld structural refinement was performed, leading to R p=0 138 and R wp =0 185. The figure of merit F N for the XRD data is F 30 =82 1(0 0068, 54). The X ray powder diffraction data are presented. 展开更多
关键词 Rare earths CeNi 5Sn x ray diffraction Rietveld structural refinement
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X-Ray Powder Diffraction: Why Not Use CuKβ Radiation?
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作者 Hans Hermann Otto 《Journal of Analytical Sciences, Methods and Instrumentation》 2018年第3期37-47,共11页
CuKβ radiation with a wavelength of λ = 1.3923 ? is recommended for crystal structure determination from X-ray powder diffraction using the Rietfeld method. A highly sensitive image plate detector is able to collect... CuKβ radiation with a wavelength of λ = 1.3923 ? is recommended for crystal structure determination from X-ray powder diffraction using the Rietfeld method. A highly sensitive image plate detector is able to collect enough intensity to record a brilliant X-ray powder pattern in a reasonable time, compared to CuKα1 radiation used today. Especially atomic displacement coefficients could be determined more precisely with the much greater number of reflections recorded. A double-radius Guinier camera attached to a micro-focus rotating anode tube ensures increased brilliance besides high resolution. A simple construction specification is presented to make smart cylindrically bent Ge(111) or Si(111) X-ray monochromators that deliver focused CuKβ radiation. The highly linear response of image plate detectors allows removing of fluorescence radiation simply as background of the pattern. The proposed equipment is a cost-efficient alternative to a liquid gallium-metal-jet X-ray source with maximum power load and a similar wavelength of λ(GaKα1) = 1.34013 ?. 展开更多
关键词 x-ray diffraction Rietfeld Analysis CuKβ RADIATION Guinier method FOCUSING MONOCHROMATORS x-ray diffraction Equipment Construction
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粉末X射线衍射法解析晶体结构的三种常用方法简介
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作者 马宏伟 李晖 《大学化学》 CAS 2024年第3期94-102,共9页
介绍了X射线粉末衍射法解析晶体结构的三种常用方法:直接法、模拟退火法和电荷翻转法的基本原理和处理方法。直接法是典型的倒易空间法,利用倒易空间的衍射强度建立初始结构;模拟退火法则在实空间产生随机模型并进行全局优化获得初始模... 介绍了X射线粉末衍射法解析晶体结构的三种常用方法:直接法、模拟退火法和电荷翻转法的基本原理和处理方法。直接法是典型的倒易空间法,利用倒易空间的衍射强度建立初始结构;模拟退火法则在实空间产生随机模型并进行全局优化获得初始模型;电荷翻转法为双空间迭代法,分别在倒空间和实空间进行微扰并在二者间进行傅里叶循环得到结构模型。文中以三个实例Ba_(3)BPO_(7),MgSO_(4)·2.5H_(2)O以及MgSO_(4)∙2H_(2)O的结构解析分别进行简要说明。 展开更多
关键词 晶体结构分析 x-射线粉末衍射 直接法 模拟退火 电荷翻转
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土壤中高岭石的X射线衍射全谱拟合定量分析方法研究 被引量:2
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作者 李磊 张青 +2 位作者 范慧 阳珊 遇祯 《安徽地质》 2023年第3期282-287,共6页
本文通过提纯高纯度石英、方解石、高岭石,配置了三种已知矿物成分含量的土壤模拟样品(高岭石、石英二相模拟土壤样品,高岭石、石英、方解石三相模拟土壤样品,高岭石、自然土壤混合样品),利用X射线衍射TOPAS全谱拟合定量分析方法对配制... 本文通过提纯高纯度石英、方解石、高岭石,配置了三种已知矿物成分含量的土壤模拟样品(高岭石、石英二相模拟土壤样品,高岭石、石英、方解石三相模拟土壤样品,高岭石、自然土壤混合样品),利用X射线衍射TOPAS全谱拟合定量分析方法对配制的9组高岭石、石英二相模拟土壤样品,9组高岭石、石英、方解石三相模拟土壤样品,9组高岭石、自然土壤混合样品三种系列覆盖4个矿物梯度的模拟土壤实验样品进行矿物定量分析,成功对比了其矿物理论含量与测试含量。通过对不含高岭石系土壤和含高岭石系土壤加标高岭石的方法,验证了X射线衍射全谱拟合定量分析法可以应用于土壤高岭石定量分析的稳定性与准确性。 展开更多
关键词 高岭石 x射线衍射全谱拟合定量分析方法 加标法
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蛇纹石物相X射线衍射定量分析精密度评估方法的探讨
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作者 张梅 蔡玉曼 +1 位作者 肖灵 王禄彬 《岩矿测试》 CAS CSCD 北大核心 2023年第3期513-522,共10页
蛇纹石是一种重要的矿物材料和化工原料,广泛应用于化工、农业、建材、冶金及环保等领域,中国由于对蛇纹石矿开采品位要求较高,形成了较多的弃尾矿,造成了大量的浪费和环境污染。根据弃尾矿中蛇纹石的不同含量,进而生产不同的工业产品,... 蛇纹石是一种重要的矿物材料和化工原料,广泛应用于化工、农业、建材、冶金及环保等领域,中国由于对蛇纹石矿开采品位要求较高,形成了较多的弃尾矿,造成了大量的浪费和环境污染。根据弃尾矿中蛇纹石的不同含量,进而生产不同的工业产品,可改善生态环境,为蛇纹石企业寻求到新的发展出路。这些工作的基础是能够对蛇纹石进行快速和精确的测定。目前蛇纹石矿石的测定方法采用行业标准《蛇纹石矿石分析方法》(HG/T 3575—2006)进行,其分析步骤繁琐,分析时间过长,现有的检测方法已不能满足市场和企业的急需,而长期以来利用X射线衍射进行的蛇纹石定量分析,其分析方法的精密度一直没有得到规范的量化控制,实验室之间的精密度比对也缺乏相应的依据。为进一步提高X射线衍射法检测蛇纹石矿物含量的水平,本文根据GB/T 6379.2—2004标准中的要求,首先通过挑选加配制共10个不同含量的样品,进行均匀性检验,当检测结果F_(实测值)均小于F_(临界值),表明试验样品是均匀的,然后选择8家实验室使用检验后合格的样品进行精密度协作试验,对得到的测试结果进行格拉布斯检验和柯克伦检验,通过检验的数据才能参与精密度参数的计算,最终获得X射线衍射标准曲线法和K值法的精密度与含量之间的数学函数关系。实验结果表明:本次协作试验的数据,全部通过格拉布斯检验和柯克伦检验,均可参与精密度参数的计算,结果也侧面证明了不同实验室不同仪器测试的结果一致性较高。精密度参数的计算结果显示:在X射线衍射标准曲线法和K值法重复性限和再现性限数据中,含量最低的样品,其重复性限和再现性限也最小,验证了X射线衍射对物相定量分析的误差主要源自于样品的均匀性误差这一特征。证实了在所有影响X射线衍射定量分析结果的因素中,样品的均匀性是最关键的因素,而其他因素产生的影响可用改变测试条件等相应方法来克服。只要样品足够均匀,就能将定量分析的误差限定在可控范围内。本文针对蛇纹石物相定量分析方法精密度的研究,可为蛇纹石物相定量分析标准方法的建立和分析方法的评价及分析质量的监控等提供依据。 展开更多
关键词 蛇纹石 x射线衍射法 物相定量分析 精密度协作实验 重复性限 再现性限
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Method for Measuring Residual Stresses Induced by Boring in Internal Surface of Tube and Its Validation with XRD Method 被引量:13
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作者 孟龙晖 何宁 +2 位作者 杨吟飞 赵威 戎斌 《Transactions of Nanjing University of Aeronautics and Astronautics》 EI 2014年第5期508-514,共7页
Residual stresses can have a strong effect on the usability of machined parts,and the X-ray diffraction(XRD)measuring equipment,which is commonly used to measure residual stresses,is very expensive.This paper presents... Residual stresses can have a strong effect on the usability of machined parts,and the X-ray diffraction(XRD)measuring equipment,which is commonly used to measure residual stresses,is very expensive.This paper presents a method of measuring the residual stresses induced by boring in the internal surface of a tube with much cheaper equipment.The method,called the strain-based method is mainly based on the strains measured on the external surface of the tube.It is proposed on the basis of the very long tube assumption.The finite element method(FEM)analysis is thus used to validate the length of the tube.Guided by the FEM results,an appropriate length of the tube is chosen,and the residual stresses are obtained from both the strain-based method and the XRD method.Stress profiles obtained from both two methods are compared.The comparison result indicates that the profiles of the two methods agree well with each other.Therefore,it can be concluded that the accuracy of the strain-based method is high enough,and it can be applied to residual stress measurement in practice. 展开更多
关键词 residual stress finite element method(FEM) strain element birth and death x-ray diffraction (xRD)
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X-ray Peak-Shift Determination of Deformation Fault Probability in Fe-Mn-Si Alloys 被引量:4
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作者 YonghuaRONG GangHE +2 位作者 ZhenghongGUO ShipuCHEN T.Y.Hsu(XUZuyao) 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2002年第5期459-461,共3页
The X-ray diffraction peak-shift method was introduced into the determination of deformation fault probability (a) of Fe-Mn-Si alloys with various Mn contents and thermomechanical cycling numbers. The precise lattice ... The X-ray diffraction peak-shift method was introduced into the determination of deformation fault probability (a) of Fe-Mn-Si alloys with various Mn contents and thermomechanical cycling numbers. The precise lattice constants required were obtained by numerical calculation instead of using standard sample without any fault. The influence of internal stress on the determined a has been evaluated, and the caused relative error was determined as about 4% and thus negligible. The results show that the deformation fault probability increases with decreasing Mn-content and increasing cycle number, which are qualitatively consistent with those results of Psf determined by peak-broadening method. 展开更多
关键词 x-ray diffraction Peak-shift method Deformation fault probability Fe-Mn-Si alloy
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基于X射线衍射的煤炭灰分快速检测方法研究 被引量:1
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作者 白飞燕 樊民强 +1 位作者 杨宏丽 董连平 《选煤技术》 CAS 2023年第4期26-32,共7页
灰分是煤炭工业分析的一项重要指标。针对目前灰分检测多采用人工方式,检测速度慢,难以指导煤炭生产过程等问题,研究了一种基于X射线衍射(XRD)的煤炭灰分快速检测方法。通过对XRD数据定性分析可知,矿物质在XRD曲线上表现为尖峰,煤中有... 灰分是煤炭工业分析的一项重要指标。针对目前灰分检测多采用人工方式,检测速度慢,难以指导煤炭生产过程等问题,研究了一种基于X射线衍射(XRD)的煤炭灰分快速检测方法。通过对XRD数据定性分析可知,矿物质在XRD曲线上表现为尖峰,煤中有机物在XRD曲线上表现为较宽的驼峰,且煤炭灰分与矿物质峰面积正相关,与有机物峰面积负相关;通过拟合XRD曲线,提取有机物及矿物质峰面积,并建立了两个煤炭灰分预测数学模型。研究结果表明:基于有机峰及矿物峰面积联合的数学模型预测误差更小;采用该模型对三个选煤厂煤样灰分进行预测,预测绝对误差均值分别为0.7301%,0.8099%,0.5015%。该方法可在5min之内获得干燥磨细后的粉末煤样的灰分数据,提高了灰分检测的速度,并且相对于目前应用较广的放射测灰法更加安全,具有工业应用价值。 展开更多
关键词 煤质分析 煤炭灰分快速检测方法 x射线衍射 快速检测 灰分预测
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X-ray elastic constant determination and residual stress of two phase TiAl-based intermetallic alloy
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作者 郭富安 张永刚 +2 位作者 陈昌麒 ZHANG Yong-gong CHEN Chang-qi 《中国有色金属学会会刊:英文版》 CSCD 2001年第2期205-209,共5页
To evaluate the residual stress in TiAl based alloys by X ray diffraction, X ray elastic constants (REC) of a γ TiAl alloy were determined. From these results, the stress state of a given phase in a duplex TiAl based... To evaluate the residual stress in TiAl based alloys by X ray diffraction, X ray elastic constants (REC) of a γ TiAl alloy were determined. From these results, the stress state of a given phase in a duplex TiAl based alloy under a uniaxial tensile loading has been characterized by X ray diffraction. The results show that the X ray elastic constants and the microscopic stresses of the given phase are different from the apparent elastic constants and the macroscopic stresses of the alloy. The reason of the different distribution of the alloy was also discussed. [ 展开更多
关键词 TiAl based alloy x ray diffraction technique x ray elastic constant duplex structure residual stress
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Si内标-X射线衍射法定量测定铁矿中Fe_(3)O_(4)、Fe_(2)O_(3)和SiO_(2) 被引量:2
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作者 乔柱 郑建明 +2 位作者 宋见峰 朱晓东 封亚辉 《中国无机分析化学》 CAS 北大核心 2023年第5期463-468,共6页
铁矿物相的准确定量对矿物价值评价及选冶工艺研究有重要作用,现有化学法流程复杂、效率低,X射线衍射全谱拟合法可溯源性差,结果准确性难以评价和验证。对制样条件、扫描参数、内标物选择、积分方式、重叠峰校正等进行优化选择,建立了... 铁矿物相的准确定量对矿物价值评价及选冶工艺研究有重要作用,现有化学法流程复杂、效率低,X射线衍射全谱拟合法可溯源性差,结果准确性难以评价和验证。对制样条件、扫描参数、内标物选择、积分方式、重叠峰校正等进行优化选择,建立了以Si为内标,以Cu靶X射线为辐射光源,步进扫描方式获得衍射谱图,以待测相含量为横坐标,待测相与内标相峰面积比值为纵坐标的校准曲线,以曲线对铁矿中Fe_(3)O_(4)、Fe_(2)O_(3)和SiO_(2)物相进行定量的方法。结果表明,试样全部通过45μm标准筛,Si内标比例为10%,步进长度0.01°,步进时间30 s,选择对Fe_(3)O_(4)(311)、Fe_(2)O_(3)(104)、SiO_(2)(011)和Si(111)的衍射峰进行积分强度计算,可获得最优结果。在选定工作条件下,Fe_(3)O_(4)在1.07%~100%范围内线性相关系数(R2)为0.995 3,相对标准偏差(RSD)1.1%~13.2%(n=6),加标回收率99.7%~115%,检出限(LOD)4.29%;Fe_(2)O_(3)在1.51%~100%范围内线性相关系数(R2)为0.999 1,相对标准偏差(RSD)2.8%~10.6%(n=6),加标回收率87.1%~112%,检出限(LOD)2.56%;SiO_(2)在0.79%~29.72%范围内线性相关系数(R2)为0.995 7,相对标准偏差(RSD)3.2%~10.3%(n=6),加标回收率86.6%~98.9%,检出限(LOD)0.68%。方法易溯源、准确性易评价和验证,适合开展标准化检测和应用。 展开更多
关键词 铁矿 物相 定量分析 内标法 x射线衍射(xRD)
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Comparative Study on the Defects of Kaolinite from America,Brazil and China Applied for Paper Coating:XRD and Refinement by Rietveld Method
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作者 朱小燕 ZHU Zhichao +2 位作者 LEI Xinrong YAN Chunjie CHEN Jieyu 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2017年第2期373-377,共5页
Three kaolinite samples applied for paper coating were collected from America(KA),Brazil(KB),and China(KC),respectively.Parameters such as average bond length of Si-O and Al-O(1(Si-O) and1((Al-O))),tetra... Three kaolinite samples applied for paper coating were collected from America(KA),Brazil(KB),and China(KC),respectively.Parameters such as average bond length of Si-O and Al-O(1(Si-O) and1((Al-O))),tetrahedral rotation angles(α),changes of tetrahedral flattemng angles(τ) and octahedral flattemng angles(ψ) comparative to ideal angle,particle layer thickness(T) and basal z corrugation(Δz) were analyzed by XRD and Rietveld method.The experimental results indicated that △z(KA)〉△z(KC)〉△z(KB).KB has a regular structure and KA has a disorder structure,α(KA)〉α(KC)〉α(KB),△τ(KA)〉△τ(KC)〉△τ(KB),and △ψ(KA)〉△ψ(KB)〉△ψ(KC).KA has unstable tetrahedron and octahedron.KB and KC have stable tetrahedron and octahedron,respectively.In the process of manufacture,kaolinite structure may be broken from places with unstable tetrahedron and octahedron.l(Si-O)(KA) 〉l(Si-O)(KB)〉l(Si-O)(KC) and 1(A1-O)KA〉1(A1-O)(KC)〉1(A1-O)(KB).What only considered is the effect of bond length,KA may be most easily broken in the manufacture.Compared with bond lengths of KA and KB,Si-O,and Al-O of KB and KC may be easily broken,respectively.T(KA) 展开更多
关键词 x-ray diffraction rietveld method defects distortion
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用X射线衍射法分析多晶型药物晶型一致性
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作者 王帅 陈永康 +1 位作者 张笑旻 王勇 《上海计量测试》 2023年第5期14-17,共4页
通过X射线衍射法对多晶型药物的晶型进行分析,以确认不同批次样品与标准品的晶型一致性。采用X射线衍射分析方法,对药物样品和标准品的特征衍射峰进行了系统性的分析和比较,并对该方法精密度、专属性、耐用性进行了验证研究。不同批次... 通过X射线衍射法对多晶型药物的晶型进行分析,以确认不同批次样品与标准品的晶型一致性。采用X射线衍射分析方法,对药物样品和标准品的特征衍射峰进行了系统性的分析和比较,并对该方法精密度、专属性、耐用性进行了验证研究。不同批次样品与标准品的主要特征峰的2θ值相对标准偏差小于5%,同晶型样品与标准品的主要特征峰2θ值的偏差均小于0.2°。X射线衍射法能够准确、快速地对药物晶型进行一致性确认,并广泛应用于药物的多晶型分析中。 展开更多
关键词 x射线衍射 药物多晶型 晶型一致性 方法验证
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