Journal articles: 'Quantitative X-ray diffraction (QXRD)'

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Bergese, P., I. Colombo, D. Gervasoni, and Laura E. Depero. "Assessment of the X-ray diffraction–absorption method for quantitative analysis of largely amorphous pharmaceutical composites." Journal of Applied Crystallography 36, no. 1 (January 21, 2003): 74–79. http://dx.doi.org/10.1107/s002188980201926x.

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Determination of the residual weight fraction of a crystalline drug in a largely amorphous pharmaceutical composite is still a challenging question. None of the quantitative X-ray diffraction (QXRD) methods found in the literature is suitable for these inclusion systems. The composite's diffraction patterns present a structured amorphous halo (arising from the amorphous matrix and drug molecular clusters) in which the crystalline drug peaks rise up. Moreover, the matrix traps a non-negligible quantity of water (which cannot be directly detected by X-ray diffraction) and the crystal structure of the drug may be unknown. In this work, a development of the QXRD analysis based on the diffraction–absorption technique is presented. The method is standardless, avoids the interpretation of the amorphous halo and the knowledge of the crystal structures of the phases, and takes into account the absorbed water. Results are in excellent agreement with those obtained by differential scanning calorimetry (DSC). The general features of the technique open its application to other classes of largely amorphous composite materials, like glass systems generated in the stabilization/solidification of toxic waste.

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Liao, Chang-Zhong, Lingmin Zeng, and Kaimin Shih. "Quantitative X-ray Diffraction (QXRD) analysis for revealing thermal transformations of red mud." Chemosphere 131 (July 2015): 171–77. http://dx.doi.org/10.1016/j.chemosphere.2015.03.034.

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Chen, Yanqiang, Chunxiang Qian, and Hengyi Zhou. "Characterization Methods for the Effect of Microbial Mineralization on the Microstructure of Hardened C3S Paste." Advances in Materials Science and Engineering 2020 (August 18, 2020): 1–9. http://dx.doi.org/10.1155/2020/7869345.

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Microbial mineralization has a significant effect on the hydration process of cement-based materials. This paper mainly studied the characterization methods for hydration degree and hydration product of C3S in hardened paste under microbial mineralization. Quantitative X-ray diffraction (QXRD), thermogravimetric analysis (TG), Fourier transform infrared spectroscopy (FT-IR), and electron backscatter diffraction (EBSD) were used and compared. The results showed that microbial mineralization increased the hydration degree of T-C3S. QXRD and EBSD could be used to characterize the content of C3S, and there were few differences between the two methods. TG could accurately characterize the content of Ca(OH)2 and CaCO3 at different depths of the sample, and FT-IR could qualitatively characterize the presence of Ca(OH)2 and CaCO3.

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Zagórska, Urszula, and Sylwia Kowalska. "Crystallization of simonkolleite (Zn5Cl2(OH)8 ∙ H2O) in powder samples prepared for mineral composition analysis by quantitative X-ray diffraction (QXRD)." Nafta-Gaz 77, no. 5 (May 2021): 293–98. http://dx.doi.org/10.18668/ng.2021.05.02.

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The analysis of mineralogical composition by quantitative X-ray diffraction (QXRD) is one of the standard research methods used in hydrocarbon exploration. In order to improve it and to obtain better results, the methodology of quantitative analysis used at Well Logging Department is being periodically (more or less) modified. After the introduction of the improvements, comparative analyses were performed on archival samples. Reflections from an unidentified phase which did not occur in the tested Rotliegend sandstone samples were noticed on X-ray diffractograms of archival samples. Reflections of a mineral called simonkolleite were identified in the X-ray diffraction database. Chemically it is a hydrated zinc chloride of the formula: Zn5Cl2(OH)8 × H2O. Analysis of the composition of samples in which simonkolleite crystallised, indicated that the mineral is being formed in the result of the slow reaction of zinc oxide with halite (NaCl) and water vapour. An attempt was made to determine the influence of the presence of this mineral on the results of the quantitative analysis of mineralogical composition. The above methodology was applied on a group of ten samples. The results of the quantitative analysis conducted for archival samples stored with added zincite standard containing simonkolleite and for new, freshly grinded (without artifact) samples were compared. The comparison of the obtained results showed a slight influence of this mineral on the quantitative composition of the remaining components. The difference between the results usually did not exceed the method error. At the same time a significant difference in the calculated content of the internal standard was noted – on average 1% less in archival than in new samples. This shows that the reaction occurring in the archival samples will affect the evaluation of the quality of the obtained quantitative analysis, at the same time excluding the possibility of determining the rock’s amorphous substance content with the internal standard method.

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Chatelier, Corentin, J. Wiskel, Douglas Ivey, and Hani Henein. "The Effect of Skelp Thickness on Precipitate Size and Morphology for X70 Microalloyed Steel Using Rietveld Refinement (Quantitative X-ray Diffraction)." Crystals 8, no. 7 (July 12, 2018): 287. http://dx.doi.org/10.3390/cryst8070287.

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Precipitates in thin-walled (11 mm) and thick-walled X70 (17 mm) microalloyed X70 pipe steel are characterized using Rietveld refinement (a.k.a. quantitative X-ray diffraction (QXRD)), inductively coupled plasma mass spectrometry (ICP), and energy-dispersive X-ray spectroscopy (EDX) analyses. Rietveld refinement is done to quantify the relative abundance, compositions, and size distribution of the precipitates. EDX and ICP analyses are undertaken to confirm Rietveld refinement analysis. The volume fraction of large precipitates (1 to 4 μm—mainly TiN rich precipitates) is determined to be twice as high in the thick-walled X70 steel (0.07%). Nano-sized precipitates (<20 nm) in the thin-walled steel exhibit a higher volume fraction (0.113%) than in the thick-walled steel (0.064%). The compositions of the nano-sized precipitates are similar for both steels.

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Honeyands, T., J. Manuel, L. Matthews, D. O’Dea, D. Pinson, J. Leedham, G. Zhang, et al. "Comparison of the Mineralogy of Iron Ore Sinters Using a Range of Techniques." Minerals 9, no. 6 (May 28, 2019): 333. http://dx.doi.org/10.3390/min9060333.

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Many different approaches have been used in the past to characterise iron ore sinter mineralogy to predict sinter quality and elucidate the impacts of iron ore characteristics and process variables on the mechanisms of sintering. This paper compares the mineralogy of three sinter samples with binary basicities (mass ratio of CaO/SiO2) between 1.7 and 2.0. The measurement techniques used were optical image analysis and point counting (PC), quantitative X-ray diffraction (QXRD) and two different scanning electron microscopy systems, namely, Quantitative Evaluation of Materials by Scanning Electron Microscopy (QEMSCAN) and TESCAN Integrated Mineral Analyser (TIMA). Each technique has its advantages and disadvantages depending on the objectives of the measurement, with the quantification of crystalline phases, textural relationships between minerals and chemical compositions of the phases covered by the combined results. Some key differences were found between QXRD and the microscopy techniques. QXRD results imply that not all of the silico-ferrite of calcium and aluminium (SFCA types) are being identified on the basis of morphology in the microscopy results. The amorphous concentration determined by QXRD was higher than the glass content identified in the microscopy results, whereas the magnetite and total SFCA concentration was lower. The scanning electron microscopy techniques were able to provide chemical analysis of the phases; however, exact correspondence with textural types was not always possible and future work is required in this area, particularly for differentiation of SFCA and SFCA-I phases. The results from the various techniques are compared and the relationships between the measurement results are discussed.

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Smith, Deane K., Gerald G. Johnson, Alexandre Scheible, Andrew M. Wims, Jack L. Johnson, and Gregory Ullmann. "Quantitative X-Ray Powder Diffraction Method Using the Full Diffraction Pattern." Powder Diffraction 2, no. 2 (June 1987): 73–77. http://dx.doi.org/10.1017/s0885715600012409.

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AbstractA new quantitative X-ray powder diffraction (QXRPD) method has been developed to analyze polyphase crystalline mixtures. The unique approach employed in this method is the utilization of the full diffraction pattern of a mixture and its reconstruction as a weighted sum of diffraction patterns of the component phases. To facilitate the use of the new method, menu-driven interactive computer programs with graphics have been developed for the VAX series of computers. The analyst builds a reference database of component diffraction patterns, corrects the patterns for background effects, and determines the appropriate reference intensity ratios. This database is used to calculate the weight fraction of each phase in a mixture by fitting its diffraction pattern with a least-squares best-fit weighted sum of selected database reference patterns.The new QXRPD method was evaluated using oxides found in ceramics, corrosion products, and other materials encountered in the laboratory. Experimental procedures have been developed for sample preparation and data collection for reference samples and unknowns. Prepared mixtures have been used to demonstrate the very good results that can be obtained with this method.

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Wei, Yong Qi, Wu Yao, and Wei Wang. "Effects of Internal Standards and Peak Profile Functions on Quantitative XRD Phase Analysis of Cement and its Hydrates." Key Engineering Materials 492 (September 2011): 424–28. http://dx.doi.org/10.4028/www.scientific.net/kem.492.424.

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Quantitative X-Ray diffraction (QXRD) combined with the Rietveld refinement method allows direct determination of crystalline phase content of cement and its hydrates. However, relatively precise results need the correction of proper internal standards and the use of matched peak profile functions with masterly refinement strategies. The aim of this paper is to research and discuss effects of these factors on the quantitative phase analysis results. For this purpose, different internal standards and peak profile functions with corresponding refinement strategies were attempted in experiments and refinements. The results indicate that Al2O3as internal standard is more suitable for cement and its hydrates than ZnO, and the better peak profile function is CW function 2 rather than function 3 in GSAS.

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Li, Jian, Robbie G. McDonald, Anna H. Kaksonen, Christina Morris, Suzy Rea, Kayley M. Usher, Jason Wylie, Felipe Hilario, and Chris A. du Plessis. "Applications of Rietveld-based QXRD analysis in mineral processing." Powder Diffraction 29, S1 (November 17, 2014): S89—S95. http://dx.doi.org/10.1017/s0885715614001134.

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Rietveld-based quantitative X-ray diffraction (QXRD) has been extensively used for mineralogical characterization in order to understand the reaction chemistry, and kinetics of minerals leaching and formation. This work presents examples where QXRD has been applied to understanding fundamental aspects of these two processes. Firstly, the co-processing of nickel laterites and sulphidic materials has the potential to offer several advantages that include the use of lower grade (including non-smeltable) concentrates, improvement in the rheological behaviour of the blends, and reduction in the use of sulphuric acid. The leaching kinetics and chemistry of mixed nickel laterite ore and sulphide concentrate were explored by the QXRD analysis of feed materials and, intermediates and final leach residues produced using controlled oxidation rates. Under high temperature (250 °C) and pressure oxidation (~40 to 45 atm.) conditions, sulphide minerals in the nickel concentrate underwent several oxidative hydrothermal transformations, and ferrous iron was oxidized and precipitated primarily as hematite. High recovery of nickel can be achieved with low acid consumption under these conditions. Secondly, iron precipitation/removal is an important down-stream process in hydrometallurgy. Moderate concentrations of ferrous iron can be oxidized using micro-organisms with oxidation rates several orders of magnitude faster compared with abiotic oxidation at ambient temperature and pressure. QXRD and chemical analysis have indicated that after oxidation, iron at pH ~2 mostly precipitates as jarosite with various amounts of K+, Na+, NH4+, and H3O+ incorporated into the structure. Bio-catalysed iron removal can be achieved with minimum copper and nickel losses at relatively low pH conditions.

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Wei, Yong Qi, and Wu Yao. "Quantitative Characterization of Hydration of Cement Pastes by Rietveld Phase Analysis and Thermoanalysis." Key Engineering Materials 539 (January 2013): 19–24. http://dx.doi.org/10.4028/www.scientific.net/kem.539.19.

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The quantitative characterization of hydration of cement pastes has always been one of focuses of researchers’ attention. Rietveld phase analysis (RPA), a combination of quantitative X-ray diffraction (QXRD) and the Rietveld method, supplies a tool of an enormous potential for that. Although a few of related researches were conducted by RPA, the reported attention was not paid to the neat cement paste with a low w/c ratio. Therefore, this work aimed at the quantitative study on hydration of such a cement paste chiefly by this method, meanwhile, cooperated with the hyphenated technique of thermogravimetry with differential scanning calorimetry (TG-DSC), as a spot check. Results indicated that RPA was a reliable method in quantitatively characterizing hydration of cement pastes, and gave a clear decription of evolution of all main crystal phases in cement pastes; and that the evolution of monosulphate(Afm_12) was also able to be tracked quantitatively. This will help to understand better the hydration mechanism of cement pastes, as well as to investigate quantitatively effects of mineral and chemical admixtures on hydration of composite cementitious systems.

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Wei, Yong Qi, and Wu Yao. "Quantitative Evaluation on Pozzolanic Reaction of Silica Fume and the Time Dependent Development of Portlandite in Composite Cementitious Systems." Applied Mechanics and Materials 584-586 (July 2014): 1237–42. http://dx.doi.org/10.4028/www.scientific.net/amm.584-586.1237.

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Quantitative X-Ray Diffraction (QXRD) with Rietveld full pattern fitting method and the hyphenated technique of ThermoGravimetry (TG) with Differential Scanning Calorimetry (DSC) were used to explore the effects of silica fume (SF) on hydration process of composite cementitious system (CCS) as well as the pozzolanic reaction (PR) of SF in this system. Results indicate that the PR of SF has started at the end of the first day but proceeds very slowly during the rest days due to the agglomeration of SF particles; and the starting point of PR is far earlier than that of drop of CH content, which implies that it is not suitable to mark conventionally the drop of CH content as the starting point of PR.

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Goetz-Neunhoeffer, F., and J. Neubauer. "Refined ettringite (Ca6Al2(SO4)3(OH)12∙26H2O) structure for quantitative X-ray diffraction analysis." Powder Diffraction 21, no. 1 (March 2006): 4–11. http://dx.doi.org/10.1154/1.2146207.

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A revised structure model of ettringite is presented, in order to provide quantitative X-ray diffraction (QXRD) of this mineral in cement pastes. The model is derived from two different existing structure models, both of which are suitable for restricted use but are inferior to the refined ettringite structure presented. In the first published ettringite structure proposed by Moore and Taylor [Acta Crystallogr. B 26, 386–393 (1970)], none of the 128 positions for H are given in the unit cell, which results in reduced scattering power for use of this model for quantification purposes. For the precise quantification of ettringite in samples together with anhydrous phases, the scattering factors of all atoms including the H positions are indispensable. The revised structure model is based on the data of Moore and Taylor, supplemented by the H positions determined by Berliner (Material Science of Concrete Special Volume, The Sydney Diamond Symposium, American Ceramic, Society, 1998, pp. 127–141) on the basis of a neutron diffraction structural investigation of deuterated ettringite at 20 K. Berliner’s (Material Science of Concrete Special Volume, The Sydney Diamond Symposium, American Ceramic Society, 1998, pp. 127–141) thermal parameter should not, however, be used, since a normal application is at room temperature. In order further to improve the structure model of ettringite, Rietveld refinement with the rigid body approach for OH and H2O molecules and SO4 tetrahedra was employed. The refined and improved ettringite structure model was tested for quantitative phase analysis by the determination of actual ettringite contents in mixtures with an internal standard. Synthesized and orientation-free prepared ettringite powders were investigated by X-ray powder diffraction analysis and quantified in four different blends with zircon. The quantification results with the new structure model demonstrate the superior quality of the revised ettringite structure.

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Lu, Xingwen, Jiani Yang, Xiaoyan Li, Feiyun Sun, Fei Wang, and Yuanqing Chao. "Effects of phase transformation on properties of alumina ceramic membrane: A new assessment based on quantitative X-ray diffraction (QXRD)." Chemical Engineering Science 199 (May 2019): 349–58. http://dx.doi.org/10.1016/j.ces.2018.12.054.

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Rea, Suzanne M., Naomi J. Boxall, Jian Li, Christina Morris, and Anna H. Kaksonen. "Chalcopyrite Bioleaching at High Sulfate Concentrations." Advanced Materials Research 1130 (November 2015): 396–99. http://dx.doi.org/10.4028/www.scientific.net/amr.1130.396.

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The efficiency of chalcopyrite bioleaching in a high sulfate background was evaluated using acidophilic microorganisms adapted to sulfate. The concentration of magnesium sulfate added to mesophilic, moderately thermophilic and thermophilic bioleaching tests was equivalent to 100, 40 and 80 g L-1SO42-, respectively. Biological copper extraction was highest at 45 °C (67 %), followed by 60 °C (54 %) and 30 °C (16 %). Quantitative x-ray diffraction (QXRD) analysis of the ROM ore and bioleached residues revealed the complete disappearance of pyrrhotite and a significant reduction of pyrite at all temperatures. Significant chalcopyrite was leached at 45 and 60 °C; however, no chalcopyrite was leached at 30 °C. As the bioleach did not plateau after 31 days, it is possible that higher copper yields may have been achieved with prolonged leaching.

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Su, Dunlei, Qiuyi Li, Yuanxin Guo, Gongbing Yue, and Liang Wang. "Effect of Residual CaSO4 in Clinker on Properties of High Belite Sulfoaluminate Cement Based on Solid Wastes." Materials 13, no. 2 (January 16, 2020): 429. http://dx.doi.org/10.3390/ma13020429.

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The high belite sulfoaluminate cement (HBSAC) containing CaSO4, and without CaSO4, based on solid wastes were successfully prepared from petroleum coke desulfurization slag (PCDS), fly ash (FA), carbide slag (CS), and bauxite (BX). The mineral composition of clinkers after different calcination history were investigated by X-ray fluorescence (XRF), X-ray diffraction (XRD)/Quantitative X-ray diffraction (QXRD), and scanning electron microscopy (SEM), so as to determine the calcination temperatures. The difference between residual CaSO4 and dihydrate gypsum (DG) and the optimal content of residual CaSO4 were discussed by studying the properties of HBSAC. The results revealed that the residual CaSO4 in clinker could replace DG to participate in hydration, and showed some advantages in strength and early hydration heat, but meanwhile increased the water requirement of normal consistency and hydration heat at 72 h, and prolonged the setting time. With the increase of residual CaSO4 content in clinker, the lower limit temperature of clinker formation gradually increased, and the crystal size of clinker minerals became finer and the boundary between crystals became more blurred. However, the optimal calcination temperature (1300 °C) of HBSAC clinker did not change. Considering the effect of residual CaSO4 content on the water requirement of normal consistency, setting time, hydration heat, strength, and hydration products, the optimal design content of residual CaSO4 in HBSAC clinker based on solid wastes, such as PCDS and FA, was 15%.

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Andrews, John T., Anna J. Klein, Kimberly A. Jenner, Anne E. Jennings, and Calvin Campbell. "The variability of Baffin Bay seafloor sediment mineralogy: the identification of discrete glacial sediment sources and application to Late Quaternary downcore analysis." Canadian Journal of Earth Sciences 55, no. 6 (June 2018): 620–39. http://dx.doi.org/10.1139/cjes-2017-0223.

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Quantitative X-ray diffraction (qXRD) mineralogy of bedrock, ice-rafted, and fluvial clasts, 239 seafloor samples (<2 mm), and samples from two long piston cores were used to (i) define regional patterns and sources within Baffin Bay, (ii) evaluate two areas from west Greenland and east Baffin Island in more detail, and (iii) apply these findings to the interpretation of downcore variations in sediment sources. A sediment-unmixing program is used to define surface regional mineral assemblages and to examine changes in sediment sources in cores HU2013029-77PC (southern Baffin Island slope) and HU2008029-8PC (Davis Strait) during Marine Isotope Stages 1 through 3. Distinct regional patterns are observed in the association between the mineralogy of surface sediments and carbonate and basalt bedrock outcrops. Detailed analysis of seafloor samples from the west Greenland troughs and Baffin Island fjords show regional differences in mineralogy, with sediments derived from the Foxe Fold Belt (north-central Baffin Island) being mineralogically distinct from sediments to the north and south. Grain-size spectra from the west Greenland troughs suggested an association between grain-size spectra and mineral assemblages. Sediment unmixing of qXRD data from the two piston cores shows discrete intervals where one or more mineral sources were dominant. However, chronological control is such that it is unclear whether the various ice streams draining into Baffin Bay behaved synchronously.

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Andrews, John T., Wendy J. Roth, and Anne E. Jennings. "Grain size and mineral variability of glacial marine sediments." Journal of Sedimentary Research 93, no. 1 (January 18, 2023): 37–49. http://dx.doi.org/10.2110/jsr.2022.044.

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ABSTRACT Glacial marine sediment deposition varies both spatially and temporally, but nearly all studies evaluate down-core (∼ time) variations in sediment variables with little consideration for across core variability, or even the consistency of a data set over distance scales of 1 to 1000 m. Grain size and quantitative X-ray diffraction (qXRD) methods require only ≤ 1 g of sediment and thus analyses assume that the identification of coarse sand (i.e., ice-rafted debris) and sediment mineral composition are representative of the depth intervals. This assumption was tested for grain size and mineral weight % on core MD99-2317, off East Greenland. Samples were taken from two sections of the core that had contrasting coarse-sand content. A total of fourteen samples were taken consisting of seven (vertical) and two (horizontal) samples, with five replicates per sample for qXRD analyses and ∼ 10 to 20 replicates for grain size. They had an average dry weight of 10.5 ± 0.5 g and are compared with two previous sets of sediment samples that averaged 54.1 ± 18.9 g and 20.77 ± 5.8 g dry weight. The results indicated some significant differences between the pairs of samples for grain-size parameters (mean sortable silt, and median grain size) but little difference in the estimates of mineral weight percentages. Out of 84 paired mineral and grain-size comparisons only 17 were significantly different at p = < 0.05 in the post-hoc Scheffe test, all of which were linked to grain-size attributes.

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Chen, Xuemei, Jun Li, Zhongyuan Lu, Serina Ng, Yunhui Niu, Jun Jiang, Yigang Xu, Zhenyu Lai, and Huan Liu. "The Role of Brownmillerite in Preparation of High-Belite Sulfoaluminate Cement Clinker." Applied Sciences 12, no. 10 (May 14, 2022): 4980. http://dx.doi.org/10.3390/app12104980.

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High-belite sulfoaluminate cement (HBSC) clinker containing brownmillerite was prepared using the industrial raw materials limestone, aluminum tailings, aluminum ore waste rock, and anhydrite. The effect of brownmillerite on clinker sintering and clinker minerals and the mechanical performance of HBSC was investigated using thermal analysis, petrographic analysis, and quantitative X-ray diffraction (QXRD). Results indicated that brownmillerite promoted the formation of clinker minerals and stabilized calcium sulfoaluminate (C4A3$) through the substitution of Fe3+ for Al3+ in C4A3$, which increased the actual C4A3$ content and decreased the brownmillerite content compared to that of the designed theoretical mineral composition. However, the early compressive strength of HBSC pastes decreased with the increase in brownmillerite content due to the decrease in the total amount of early-strength clinker minerals. Brownmillerite also influenced belite (C2S) structures and increased the γ-C2S content with poor hydration activity, thus inhibiting the strength development of HBSC pastes. The proper amount of brownmillerite in HBSC clinker can ensure the early strength and strength development of HBSC pastes.

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Fan, Zhiyuan, Zhongyang Mao, Xiang Liu, Lei Yi, Tao Zhang, Xiaojun Huang, and Min Deng. "Microstructure of Dolostones of Different Geological Ages and Dedolomitization Reaction." Materials 15, no. 12 (June 9, 2022): 4109. http://dx.doi.org/10.3390/ma15124109.

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Dolostone is widely distributed and commonly used as concrete aggregates. A large number of studies have shown that there are significant differences in the expansibility of different dolostones, and the key factors determining the expansibility of alkali carbonate rocks have not been clarified. In this paper, rocks were selected from five different geological ages: Jixianian, Cambrian, Ordovician, Devonian, and Triassic ages. The ordering degree and the content of MgCO3 of dolomites in rocks of different geological ages were determined by X-ray diffraction (XRD). The degree of dedolomitization reaction in rocks cured in 80 °C, 1 mol/L NaOH solution was determined by quantitative X-ray diffraction (QXRD). The morphology of dolomites in rocks was determined by a polarizing microscope. The products of the dedolomitization reaction were determined by field emission electron microscopy (FESEM-EDS). According to the test results, the following conclusions are drawn. There is a good positive correlation between ordering degree and the molar fraction of MgCO3 of dolomites. When the MgCO3 mole fraction of dolomites varies from 47.17% to 49.60%, the higher the MgCO3 mole fraction, the greater the ordering degree of dolomite. By analyzing the degree of the dedolomitization reaction of different dolostone powders cured at 80 °C in 1 mol/L NaOH solution, it is found that the older the geological age of dolostone, the slower the dedolomitization reaction rate and the lower the degree of dedolomitization reaction. The lower the ordering degree of dolomite crystal in the same geological age, the faster the rate of dedolomitization reaction and the higher the degree of dedolomitization reaction.

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Liu, Yan Jun, and Yong Chao Zheng. "Mineral Waste Coupled with Boron Oxide for Producing Active Belite Cement Clinker." Applied Mechanics and Materials 405-408 (September 2013): 2564–75. http://dx.doi.org/10.4028/www.scientific.net/amm.405-408.2564.

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This paper presents a laboratory study on active belite cement clinker using boron oxide as dopant to stabilize high temperature phases of Dicalcium silicate (C2S), and mineral waste as siliceous materials in complete replacement of clay. The clinker samples were soaked in Muffle Furnace at different burning temperatures and for various time durations, and then, cooled down to room temperature using air blower. Quantitative X-ray Diffraction analysis (QXRD) by Rietveld method indicates that major mineral components are Dicalcium Silicate (C2S), Ferrite (C2 (A0.48F1.52) O5) and trace amount of Tricalcium Silicate (C3S) in the cement clinkers. Among them, Dicalcium silicate is over 85 percent, Ferrite around 10 percent and Tricalcium silicate less than 10 percent. Thermogravimetric and Differential Scanning Calorimetric (TGA-DSC) spectrum shows that there is no significant phase change while cement clinker was cooling down, which means significant amount of high temperature polymorphic C2S was stabilized during cooling process. It is agreeable with the results from QXRD analysis. Specifically, among polymorphic belite phases, αH-C2S accounts for around 66% of cement clinker, and αL-C2S for about 22% of cement clinker. In addition, massive belite phase was identified by Scanning Electronic Microscope (SEM) analysis and Light Microscopy analysis. At last, the mechanical tests on active belite cement show that active belite cement clinker has a slow strength development at early ages, but rapid strength gain at 28 days in comparison with belite clinker without adding boron oxide. Thus, this active belite cement clinker demonstrates very promising prospect in sustainable cement industry development. Keywords: Active Belite Cement Clinker; Doped; Boron Oxide; αH-C2S; αL-C2S; Strength Development

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Shar, Abdul Majeed. "Petrography and Geochemical Characteristics of Nari Sandstone in Lower Indus Basin, Sindh, Pakistan." January 2021 40, no. 1 (January 1, 2021): 82–92. http://dx.doi.org/10.22581/muet1982.2101.08.

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Pakistan has been suffering from severe energy crisis for decades. Discovering new oil and gas fields plays significant role in alleviating the energy deficit. Exploitation and development of new fields for the country is very challenging due to economic, technological, social and environmental concerns. Hence, it is essential to assess the potential of hydrocarbon bearing formations using integrated analysis techniques in order to explore the resources efficiently. In this paper, we have analyzed Nari sandstone reservoir potential of the country. The key objectives of the study are to characterize petrographic, mineralogical and microstructural data through laboratory study on Oligocene strata of Nari sandstone in the lower Indus Basin. For this purpose, we collected several exposed outcrop samples from different stations in the onshore areas of Nari Sandstone formation. The work performed includes, the integrated study of petrography using Scanning Electron Microscopy (SEM) along with Energy Dispersive Spectrometry (EDS) application. In addition, Quantitative X-Ray Diffraction (QXRD) analysis was performed. The results revealed that these sandstones were mainly composed of quartz grains, which are surrounded by calcite cement. EDS elemental sequence shows Calcium (Ca), Carbon (C),Silicon (Si), Iron (Fe), Magnesium (Mg), Aluminum (AI) and K (Potassium) in variable intensities in the samples indicating the presence of different minerals within these rocks such as quartz, calcite, clay and ferruginous cement. This study is the comprehensive collection of data of Nari sandstones that is essential to assess the potential of hydrocarbon bearing formations.

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Fullerton, Eric E., Ivan K. Schuller, and Y. Bruynseraede. "Quantitative X-Ray Diffraction From Superlattices." MRS Bulletin 17, no. 12 (December 1992): 33–38. http://dx.doi.org/10.1557/s0883769400046935.

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The physical properties of superlattices have been the subject of considerable interest because a wide range of phenomena associated with very thin films, interfaces, and coupling effects can be studied. Recent areas of activity in metallic superlattices include antiferromagnetic coupling of ferromagnetic layers across nonmagnetic spacer layers, giant magnetoresistance, magnetic surface anisotropy, low-dimensional superconductivity, and anomalous mechanical properties. All of these phenomena are strongly affected by the chemical and physical properties of the individual layers and by the superlattice structure. Therefore, a detailed understanding of the properties of superlattices requires a nondestructive, quantitative determination of the superlattice structure.Because superlattices are not in thermodynamic equilibrium, their structure is sensitive to preparation methods and growth conditions. A dramatic example of superlattice structural dependence on growth conditions is shown in Figure 1, for sputtered Nb/Si superlattices. Increasing the Ar pressure during sputtering decreases the kinetic energy of the deposited atoms, thereby changing their surface mobility, and thus altering growth dynamics. Figure 1 shows the low-angle x-ray diffraction and cross-sectional transmission electron microscopy (TEM) images of [Nb(35 Å)/Si(25 Å)]40, superlattices sputtered in, respectively, 3 and 15 mTorr of Ar. The TEM image of the 3 mTorr superlattice clearly shows the smooth and continuous layering across the entire cross section of the image (≈5 μm). This is characteristic of sputtered metal/semiconductor superlattices used for x-ray optics.

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23

Schuller, Ivan K., and Y. Bruynseraede. "Quantitative X-ray diffraction from superlattices." Journal of Magnetism and Magnetic Materials 126, no. 1-3 (September 1993): 65–70. http://dx.doi.org/10.1016/0304-8853(93)90547-f.

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Schuller, Ivan K., and Y. Bruynseraede. "Quantitative X-ray diffraction from thin films." Nanostructured Materials 1, no. 5 (September 1992): 387–95. http://dx.doi.org/10.1016/0965-9773(92)90089-g.

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25

Davis, B. L., and M. N. Spilde. "Quantitative X-ray powder diffraction analysis applied to transmission diffraction." Journal of Applied Crystallography 23, no. 4 (August 1, 1990): 315–20. http://dx.doi.org/10.1107/s0021889890003879.

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26

Liu Li, 刘力, 朱佩平 Zhu Peiping, 舒航 Shu Hang, and 张凯 Zhang Kai. "Quantitative Measurement in X-Ray Diffraction Enhanced Imaging." Acta Optica Sinica 28, no. 8 (2008): 1492–95. http://dx.doi.org/10.3788/aos20082808.1492.

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Bish, D. L., and Steve J. Chipera. "Accuracy in Quantitative X-ray Powder Diffraction Analyses." Advances in X-ray Analysis 38 (1994): 47–57. http://dx.doi.org/10.1154/s0376030800017638.

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Abstract Accuracy, or how well a measurement conforms to the true value of a parameter, is important in XRD analyses in three primary areas, 1) 26 position or d-spacing; 2) peak shape; and 3) intensity. Instrumental factors affecting accuracy include zero-point, axial-divergence, and specimen- displacement errors, step size, and even uncertainty in X-ray wavelength values. Sample factors affecting accuracy include specimen transparency, structural strain, crystallite size, and preferred orientation effects. In addition, a variety of other sample-related factors influence the accuracy of quantitative analyses, including variations in sample composition and order/disorder. The conventional method of assessing accuracy during experimental diffractometry measurements is through the use of certified internal standards. However, it is possible to obtain highly accurate d-spacings without an internal standard using a well-aligned powder diffractometer coupled with data analysis routines that allow analysis of and correction for important systematic errors. The first consideration in such measurements is the use of methods yielding precise peak positions, such as profile fitting. High accuracy can be achieved if specimen-displacement, specimen- transparency, axial-divergence, and possibly zero-point corrections are included in data analysis. It is also important to consider that most common X-ray wavelengths (other than Cu Kα1) have not been measured with high accuracy. Accuracy in peak-shape measurements is important in the separation of instrumental and sample contributions to profile shape, e.g., in crystallite size and strain measurements. The instrumental contribution must be determined accurately using a standard material free from significant sample-related effects, such as NIST SRM 660 (LaB6). Although full-pattern fitting methods for quantitative analysis are available, the presence of numerous systematic errors makes the use of an internal standard, such as a-alumina mandatory to ensure accuracy; accuracy is always suspect when using external-standard, constrained-total quantitative analysis methods. One of the most significant problems in quantitative analysis remains the choice of representative standards. Variations in sample chemistry, order-disorder, and preferred orientation can be accommodated only with a thorough understanding of the coupled effects of all three on intensities. It is important to recognize that sample preparation methods that optimize accuracy for one type of measurement may not be appropriate for another. For example, the very fine crystallite size that is optimum for quantitative analysis is unnecessary and can even be detrimental in d-spacing and peak shape measurements.

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Wang, Y. D., L. Zuo, Z. D. Liang, C. Laruelle, A. Vadon, and J. J. Heizmann. "Quantitative Texture Analysis from X-ray Diffraction Spectra." Journal of Applied Crystallography 30, no. 4 (August 1, 1997): 443–48. http://dx.doi.org/10.1107/s0021889897000186.

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A method to obtain the orientation distribution function (ODF) of a polycrystalline material directly from X-ray diffraction spectra is presented. It uses the maximum-texture-entropy assumption to reduce the diffraction data needed for the ODF analysis. The validity of this new method is illustrated through two model examples.

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Popović, Stanko. "Quantitative phase analysis by X-ray diffraction – Simple routes." Macedonian Journal of Chemistry and Chemical Engineering 34, no. 1 (March 23, 2015): 33. http://dx.doi.org/10.20450/mjcce.2015.643.

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The elemental composition of a multiphase material can be obtained by means of chemical and spectroscopic techniques. However, these techniques face a great difficulty in distinguishing the chemical identity of the phases present in the material and in derivation of the fractions of particular phases. X-ray powder diffraction seems to be an ideal technique for the analysis of a multiphase material. Each crystalline phase of the material gives its characteristic diffraction pattern independently of the other phases; this fact makes it possible to identify the phase of interest and to determine its fraction. The intensities of diffraction lines of a given phase are proportional to its fraction and an appropriate quantitative analysis can be performed after the application of the correction for the absorption of X-rays in the material. The principles of quantitative X-ray diffraction phase analysis of a multiphase material are presented, with a special attention paid to the doping methods. The following methods are described: (i) determination of the fraction of a phase using repeated dopings, (ii) determination of the fraction of a phase using a single doping, (iii) simultaneous determination of the fractions of several phases using a single doping; (iv) determination of the fraction of the dominant phase. The applicability of the doping methods is stated and the optimum conditions to minimize systematic errors are discussed. Recent approaches in quantitative X-ray diffraction phase analysis are also mentioned in short.

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30

Giewekemeyer, K., P. Thibault, S. Kalbfleisch, A. Beerlink, C. M. Kewish, M. Dierolf, F. Pfeiffer, and T. Salditt. "Quantitative biological imaging by ptychographic x-ray diffraction microscopy." Proceedings of the National Academy of Sciences 107, no. 2 (December 17, 2009): 529–34. http://dx.doi.org/10.1073/pnas.0905846107.

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31

Mehta, PK, and LJ Struble. "Quantitative Phase Analysis of Clinker Using X-Ray Diffraction." Cement, Concrete and Aggregates 13, no. 2 (1991): 97. http://dx.doi.org/10.1520/cca10124j.

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Brandt, C. G., and G. H. van der Vliet. "Quantitative Analysis of thin Samples by X-Ray Diffraction." Advances in X-ray Analysis 29 (1985): 203–9. http://dx.doi.org/10.1154/s0376030800010272.

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For phase analysis of small amounts of material in an x-ray powder diffractometer the sample is often spread on a sample mounting plate or support plate. Different types of plates on which thin samples can be mounted are:- silver membrane filters- metal or other polycrystalline plates- polymer membrane filters, for example PVC, polycarbonate, cellulose nitrate- glass slides- single crystals; cut so that no diffraction lines occur.Filters are often used to collect environmental dust; these samples can be analysed “as received,” Glass slides are inexpensive, flat, and readily available. Polycrystalline filters and plates have the disadvantage of possible line overlap with lines of the sample material (refer to figure 1), Glass plates or polymer filters have the high and curved background due to amorphous scatter as shown in figure 2.

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33

Davis, BriantL. "Pc Software for Rim Quantitative X-Ray Diffraction Analysis." Advances in X-ray Analysis 39 (1995): 589–97. http://dx.doi.org/10.1154/s0376030800023016.

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Quantitative multicomponent analysis of phases by x-ray diffraction still remains one of the most difficult applications of any element or phase spectroscopic method. The level of quality of XRD quantitative analysis is largely in the hands of the operator, but several relatively new methods for processing basic diffraction data are becoming known and more frequently used, including fulltrace (observed and calculated) subtraction methods (Smith et al, 1988), Rietveld procedures (Bish and Howard, 1988; Taylor and Aldridge, 1993), and chemical “apportionment” target-transformation methods (Starks, et al, 1984). In spite of these new advances, the single or multiple peak reference intensity ratio (RIR, or kj) procedure remains a simple and attractive technique for routine quantitative XRD analysis (Schreiner, 1995; Snyder, 1992; Davis, 1992).

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34

Redler, Làszlò. "Quantitative X-ray diffraction analysis of high alumina cements." Cement and Concrete Research 21, no. 5 (September 1991): 873–84. http://dx.doi.org/10.1016/0008-8846(91)90182-h.

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Pigeon, R. G., and A. Varma. "Quantitative phase analysis of Si3N4 by X-ray diffraction." Journal of Materials Science Letters 11, no. 20 (1992): 1370–72. http://dx.doi.org/10.1007/bf00729365.

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36

Nesterets, Ya I., T. E. Gureyev, D. Paganin, K. M. Pavlov, and S. W. Wilkins. "Quantitative diffraction-enhanced x-ray imaging of weak objects." Journal of Physics D: Applied Physics 37, no. 8 (March 31, 2004): 1262–74. http://dx.doi.org/10.1088/0022-3727/37/8/016.

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37

Palmer, David C. "Digital analysis of X-ray films." Mineralogical Magazine 61, no. 406 (June 1997): 453–61. http://dx.doi.org/10.1180/minmag.1997.061.406.11.

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AbstractHigh-resolution intensity profiles can be generated from X-ray diffraction films using a desk-top scanner and computer image analysis. The resulting intensity profiles have spatial resolutions equal to, or exceeding that of modern powder diffractometers — at a fraction of the cost. This technique provides an economical way of preserving the information stored in libraries of old (and deteriorating) powder diffraction films. The same technique can also be extended to permit quantitative analysis of single-crystal diffraction films.

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38

Chung, Frank H. "Quantitative X-ray diffraction and X-ray fluorescence analyses of mixtures – unified and simplified." Journal of Applied Crystallography 51, no. 3 (May 18, 2018): 789–95. http://dx.doi.org/10.1107/s1600576718005228.

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Owing to the complex matrix effects, the current approach to quantitative X-ray diffraction (XRD) and X-ray fluorescence (XRF) analyses of mixtures requires calibration lines from standards, and is hence tedious and time consuming. New insights reveal that both the matrix effects and the calibration lines can be eliminated mathematically. Any complex mixture can be transformed into a set of simple binary mixtures. One straightforward formula decodes both XRD and XRF. A single XRD or XRF scan quantifies the chemical compounds or chemical elements in any mixture. The unified and simplified procedure reduces by some 80% the laboratory work associated with current practice. Five sets of experimental data are presented to verify its applications. Statistical evaluation of this new procedure gives a precision of ±5% or better, which is normally expected from XRD and XRF analyses.

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39

Bluhm, Terry L., Arthur Y. Jones, and Yves Deslandes. "X-ray methods for quantitative determination of inorganic fillers in paper." Canadian Journal of Chemistry 63, no. 1 (January 1, 1985): 243–48. http://dx.doi.org/10.1139/v85-040.

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X-ray diffraction methods have been investigated as means of quantifying filler contents of paper. Both an "internal standard method" and an "absorption–diffraction method" were applied. Because of preferential orientation of the filler particles in commercial paper samples, the "internal standard method" was modified to include an empirical evaluation of the proportionality constant, K. Values of K specific for each filler material investigated (clay, calcite, talc, and titanium dioxide) were obtained by X-ray diffraction intensity measurements on standard papers containing different amounts of each filler. These values of K were then used to calculate the filler content of various commercial papers. The filler contents of these same commercial papers were also determined using the X-ray "absorption–diffraction method" and ash determination. Comparisons made among results from all these methods indicated that both X-ray methods give acceptable agreement with ash determination, but that the "absorption–diffraction method" is preferred due to its ease of application. In addition, the X-ray methods are more rapid and versatile than ash determination.

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40

Rodriguez, Mark A., James J. M. Griego, Harlan J. Brown-Shaklee, Mia A. Blea-Kirby, John F. Ihlefeld, and Erik D. Spoerke. "X-ray powder diffraction study of La2LiTaO6." Powder Diffraction 30, no. 1 (November 21, 2014): 57–62. http://dx.doi.org/10.1017/s0885715614001183.

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The structure of La2LiTaO6 has been derived from the powder X-ray powder diffraction (XRD) data. La2LiTaO6 is monoclinic with unit-cell parameters a = 5.621(1) Å, b = 5.776(1) Å, c = 7.954(2) Å, β = 90.34(2)°, space group P21/n (14), and Z = 2. The structure of La2LiTaO6 is an ordered perovskite with alternating Li and Ta octahedra. A new set of powder XRD data (d-spacing and intensity listing) has been generated to replace entry 00-039-0897 within the Powder Diffraction File. The newly elucidated structural data for La2LiTaO6 shall facilitate quantitative analysis of this impurity phase which is often observed during synthesis of the fast-ion conductor phase Li5La3Ta2O12.

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41

Chushkin, Y., F. Zontone, O. Cherkas, and A. Gibaud. "Quantitative nanotomography of amorphous and polycrystalline samples using coherent X-ray diffraction." Journal of Applied Crystallography 52, no. 3 (May 7, 2019): 571–78. http://dx.doi.org/10.1107/s1600576719004394.

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This article presents a combined approach where quantitative forward-scattering coherent diffraction imaging (CDI) is supported by crystal diffraction using 8.1 keV synchrotron X-ray radiation. The method allows the determination of the morphology, mass density and crystallinity of an isolated microscopic specimen. This approach is tested on three homogeneous samples made of different materials with different degrees of crystallinity. The mass density and morphology are revealed using three-dimensional coherent diffraction imaging with a resolution better than 36 nm. The crystallinity is extracted from the diffraction profiles measured simultaneously with coherent diffraction patterns. The presented approach extends CDI to structural characterization of samples when crystallinity aspects are of interest.

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42

Kim, Yoonhee, Junhyeong Kim, Kang Woo Ahn, Do Young Noh, Chan Kim, Hyon Chol Kang, Hae Cheol Lee, and Chung-Jong Yu. "Quantitative coherent x-ray diffraction imaging of multiple nano particles." Journal of the Korean Physical Society 70, no. 9 (May 2017): 849–55. http://dx.doi.org/10.3938/jkps.70.849.

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YAO GONG-DA and GUO CHANG-LIN. "MULTIPHASE DOPING METHOD IN QUANTITATIVE X-RAY DIFFRACTION PHASE ANALYSIS." Acta Physica Sinica 34, no. 11 (1985): 1461. http://dx.doi.org/10.7498/aps.34.1461.

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44

Wandt, Michael Alexander Erich, and Allen Lawrence Rodgers. "Microanalysis of urinary calculi by quantitative X-ray diffraction procedures." Analyst 113, no. 5 (1988): 783. http://dx.doi.org/10.1039/an9881300783.

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Bayliss, Peter. "Quantitative Analysis of Sedimentary Minerals by Powder X-ray Diffraction." Powder Diffraction 1, no. 2 (June 1986): 37–39. http://dx.doi.org/10.1017/s0885715600011556.

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AbstractThe variables of reflection overlap, crystallinity and crystallite size, primary extinction, microabsorption, chemical substitutions, preferred orientation, and analytical procedures affect quantitative analysis by powder X-ray diffraction. The intensity of the strongest reflection (I) of 39 minerals from a typical sedimentary environment divided by the intensity of the strongest reflection (Ic) of corundum, I/Ic, may be used to determine mineral percentages. Because of the numerous variables mentioned above, the I/Ic ratios used should be taken from multi-mineral specimens that occur either in the same geological formation for quantitative analysis (±7%) or in a similar geological formation for quantitative analysis (±30%).

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Her, Jae-Hyuk, Yan Gao, Erik Jezek, Job Rijssenbeek, Zhong, and Parise. "High Throughput Quantitative Phase Mapping Using Synchrotron X-Ray Diffraction." Microscopy and Microanalysis 22, S3 (July 2016): 86–87. http://dx.doi.org/10.1017/s1431927616001288.

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47

Mertens, G., P. Madau, D. Durinck, B. Blanpain, and J. Elsen. "Quantitative mineralogical analysis of hydraulic limes by X-ray diffraction." Cement and Concrete Research 37, no. 11 (November 2007): 1524–30. http://dx.doi.org/10.1016/j.cemconres.2007.08.002.

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Monshi, A., and P. F. Messer. "Ratio of slopes method for quantitative X-ray diffraction analysis." Journal of Materials Science 26, no. 13 (January 1, 1991): 3623–27. http://dx.doi.org/10.1007/bf00557154.

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Dermatas, Dimitris, Maria Chrysochoou, Sarra Pardali, and Dennis G. Grubb. "Influence of X-Ray Diffraction Sample Preparation on Quantitative Mineralogy." Journal of Environmental Quality 36, no. 2 (March 2007): 487–97. http://dx.doi.org/10.2134/jeq2006.0215.

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Jones, Michael W. M., Nicholas W. Phillips, Grant A. van Riessen, Brian Abbey, David J. Vine, Youssef S. G. Nashed, Stephen T. Mudie, et al. "Simultaneous X-ray fluorescence and scanning X-ray diffraction microscopy at the Australian Synchrotron XFM beamline." Journal of Synchrotron Radiation 23, no. 5 (August 11, 2016): 1151–57. http://dx.doi.org/10.1107/s1600577516011917.

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Owing to its extreme sensitivity, quantitative mapping of elemental distributionsviaX-ray fluorescence microscopy (XFM) has become a key microanalytical technique. The recent realisation of scanning X-ray diffraction microscopy (SXDM) meanwhile provides an avenue for quantitative super-resolved ultra-structural visualization. The similarity of their experimental geometries indicates excellent prospects for simultaneous acquisition. Here, in both step- and fly-scanning modes, robust, simultaneous XFM-SXDM is demonstrated.

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Journal articles on the topic 'Quantitative X-ray diffraction (QXRD)'

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