Effect of Testing Factors on Rietveld Quantitative Analysis of Cement-Matrix Materials

2017 ◽  
Vol 898 ◽  
pp. 2054-2059
Author(s):  
Yan Ling Gan ◽  
Su Ping Cui ◽  
Ya Li Wang ◽  
Hong Xia Guo
Keyword(s):  
Quantitative Analysis ◽  
Phase Analysis ◽  
Rietveld Method ◽  
Cementitious Materials ◽  
Cement Matrix ◽  
Quantitative Phase Analysis ◽  
Step Size ◽  
X Ray ◽  
Quantitative Phase ◽  
Scan Time

For cement-matrix materials, the microstructure plays a vital important role in the research. Recently, quantitative phase analysis of cementitious materials can be performed using the Rietveld method by fitting the calculated X-ray diffraction (XRD) profile with the observed one. The aim of this paper is to further perform the quantitative analysis by the Rietveld method and discuss the influence of testing factors on the Rietveld quantitative phase analysis. The factors included the collection range of pattern, step size and the scan time of per step. In this study, the chemical composition of the samples was determined by X-ray fluorescence (XRF) spectrometry. And their phase composition was calculated by X-ray powder diffraction and Rietveld analysis. The results showed that the collection range of pattern depended on the tested materials , and the scanning range should include the main diffraction peak of the sample. Smaller step size and longer scan time of each step made the fitting factor smaller, also the calculated pattern coincided with the measured pattern, better enhance the precision of the analyses.

Quantitative Phase Analyses of a Slag Using X-Ray Powder Diffraction

2014 ◽  
Vol 881-883 ◽  
pp. 1241-1244
Author(s):  
Wei Jin Zeng ◽  
Chao Zeng ◽  
Wei He
Keyword(s):  
Quantitative Analysis ◽  
Phase Analysis ◽  
Powder Diffraction ◽  
Rietveld Method ◽  
Quantitative Phase Analysis ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Quantitative Phase ◽  
Full Profile ◽  
Qualitative Phase

The quantitative phase analyses of a slag have been successfully carried out by using both of the full-profile Rietveld and RIR methods from X-ray powder diffraction data. The qualitative phase analysis indicates that the slag contains mayenite (CaO)12(Al2O3)7, olivine Ca2(SiO4), gehlenite Ca2Al (AlSiO7), lemite Ca2(SiO4) and hibonite CaO(Al2O3)6. The quantitative analysis from Rietveld refinement shows that the weight concentrations of mayenite, olivine, gehlenite, lemite and hibonite for the slag are 48.8(4) wt.%, 32.2(5) wt.%, 11.0(9) wt.%, 6.2(1.1) wt.% and 1.8 (1.2) wt.%, respectively. The quantitative phase analysis results obtained by Rietveld method are more precise then those by RIR method.

scholarly journals The effect of data quality and model parameters on the quantitative phase analysis of X-ray diffraction data by the Rietveld method

2021 ◽  
Vol 54 (3) ◽  
Author(s):  
Matthew R. Rowles
Keyword(s):  
Phase Analysis ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Quantitative Phase Analysis ◽  
Model Parameters ◽  
Case Scenario ◽  
X Ray ◽  
Quantitative Phase ◽  
Two Samples ◽  
Using Data

The quality of X-ray powder diffraction data and the number and type of refinable parameters have been examined with respect to their effect on quantitative phase analysis (QPA) by the Rietveld method using data collected from two samples from the QPA round robin [Madsen, Scarlett, Cranswick & Lwin (2001). J. Appl. Cryst. 34, 409–426]. From the analyses of these best-case-scenario specimens, a series of recommendations for minimum standards of data collection and analysis are proposed. It is hoped that these will aid new QPA-by-Rietveld users in their analyses.

scholarly journals Quantitative Phase Analysis by X-ray Diffraction—Doping Methods and Applications

Crystals ◽  
2020 ◽  
Vol 10 (1) ◽  
pp. 27 ◽  
Author(s):  
Stanko Popović
Keyword(s):  
Quantitative Analysis ◽  
Phase Analysis ◽  
Powder Diffraction ◽  
Phase Fraction ◽  
Quantitative Phase Analysis ◽  
Intermetallic Alloys ◽  
X Ray Diffraction ◽  
X Ray ◽  
Quantitative Phase

X-ray powder diffraction is an ideal technique for the quantitative analysis of a multiphase sample. The intensities of diffraction lines of a phase in a multiphase sample are proportional to the phase fraction and the quantitative analysis can be obtained if the correction for the absorption of X-rays in the sample is performed. Simple procedures of quantitative X-ray diffraction phase analysis of a multiphase sample are presented. The matrix-flushing method, with the application of reference intensities, yields the relationship between the intensity and phase fraction free from the absorption effect, thus, shunting calibration curves or internal standard procedures. Special attention is paid to the doping methods: (i) simultaneous determination of the fractions of several phases using a single doping and (ii) determination of the fraction of the dominant phase. The conditions to minimize systematic errors are discussed. The problem of overlapping of diffraction lines can be overcome by combining the doping method (i) and the individual profile fitting method, thus performing the quantitative phase analysis without the reference to structural models of particular phases. Recent suggestions in quantitative phase analysis are quoted, e.g., in study of the decomposition of supersaturated solid solutions—intermetallic alloys. Round Robin on Quantitative Phase Analysis, organized by the IUCr Commission on Powder Diffraction, is discussed shortly. The doping methods have been applied in various studies, e.g., phase transitions in titanium dioxide, biomineralization processes, and phases in intermetallic oxide systems and intermetallic alloys.

scholarly journals Evaluation via multivariate techniques of scale factor variability in the rietveld method applied to quantitative phase analysis with X ray powder diffraction

2006 ◽  
Vol 9 (4) ◽  
pp. 369-374 ◽  
Author(s):  
Terezinha Ferreira de Oliveira ◽  
Roberto Ribeiro de Avillez ◽  
Eugenio Kahn Epprecht ◽  
Joaquim Carlos Barbosa Queiroz
Keyword(s):  
Phase Analysis ◽  
Powder Diffraction ◽  
Rietveld Method ◽  
Scale Factor ◽  
Quantitative Phase Analysis ◽  
Multivariate Techniques ◽  
X Ray ◽  
Quantitative Phase

On the quantitative phase analysis and amorphous content of triacylglycerols materials by X-ray Rietveld method

2018 ◽  
Vol 212 ◽  
pp. 51-60 ◽  
Author(s):  
Guilherme A. Calligaris ◽  
Thais L.T. da Silva ◽  
Ana Paula B. Ribeiro ◽  
Adenilson O. dos Santos ◽  
Lisandro P. Cardoso
Keyword(s):  
Phase Analysis ◽  
Rietveld Method ◽  
Quantitative Phase Analysis ◽  
X Ray ◽  
Quantitative Phase ◽  
Amorphous Content

X-ray quantitative analysis of the phases developed upon air annealing of ZnSe, CdSe, and CdS semiconductors

2002 ◽  
Vol 17 (3) ◽  
pp. 191-195 ◽  
Author(s):  
Z. K. Heiba
Keyword(s):  
Quantitative Analysis ◽  
Phase Analysis ◽  
Quantitative Phase Analysis ◽  
Thermally Grown Oxides ◽  
X Ray ◽  
Quantitative Phase ◽  
Qualitative And Quantitative ◽  
Temperature Range ◽  
Thermally Grown

The phases developed upon annealing of ZnSe, CdSe, and CdS semiconductors in air are investigated applying X-ray qualitative and quantitative phase analysis. The compositions of the thermally grown oxides over the 373–773 K temperature range are found to be ZnO and ZnSeO3 for ZnSe, CdSeO3 for CdSe and CdSO4 and Cd3O2SO4 for CdS. The percentage phase abundance of each phase is determined at each temperature applying a standardless method. At all temperatures, the oxides are predominantly ZnO with about 10% ZnSeO3 at 773 K in case of ZnSe and CdSO4 with about 9% Cd3O2SO4 at 773 K in case of CdS. The rate of oxidation with temperature is found to be nonlinear for the three chalcogenides. CdS is found to be more resistible for oxidation than CdSe and ZnSe.

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