968 resultados para Powder diffraction software


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Many routes for extracting silica from rice hulls are based on direct calcining. These methods, though, often produce silica contaminated with inorganic impurities. This work presents the study of a strategy for obtaining silica from rice hulls with a purity level adequate for applications in electronics. The technique is based on two leaching steps, using respectively aqua regia and Piranha solutions, which extract the organic matrix and inorganic impurities. The material was characterized by Fourier-transform infrared spectroscopy (FTIR), powder x-ray diffraction (XRD), x-ray fluorescence (XRF), scanning electron microscopy (SEM), particle size analysis by laser diffraction (LPSA) and thermal analysis.

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Solid solution of iron doped potassium strontium niobate with KSr2(FeNb4)O15-Δ stoichiometry was prepared by high efficiency ball milling method. Structural characterization was carried out by X-ray diffraction. Crystalline structure was analyzed by the Rietveld refinements using the FullProf software. The results showed a tetragonal system with the tetragonal tungsten bronze structure - TTB (a = 12.4631 (2) Å and c = 3.9322 (6) Å, V = 610.78 (2) ų). In this work, the sites occupancy by the K+, Sr2+ and Fe3+ cations on the TTB structure were determined. NbO6 polihedra distortion and its correlation with the theoretical polarization are discussed.

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Two food products (powders) were obtained by hot-air drying or lyophilisation methods on the whole guava fruits. The powders were characterised by sensory and thermal analyses (TGA-DSC), infrared spectroscopy (IR), X-ray diffraction (XRD) and scanning electron microscopy (SEM). Thermal, morphological and structural characterisations showed a similar behaviour for the two solids. TGA-DSC and IR showed the presence of pectin as the main constituent of solids. A semi-crystalline profile was evidenced by XRD, and lamellar/spherical morphologies were observed by SEM. Sensory analyses revealed an aroma highly related to guava. These value-added food products are an alternative to process guava and avoid loss during postharvest handling.

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Optical activity is the ability of chiral substances to rotate the plane of plane-polarized light and is measured using an instrument called a polarimeter. An educational software application to explore, both interactively and visually, the concepts related to polarimetry to facilitate their understanding was developed. The software was field-tested and a questionnaire evaluating the graphics interface, usability and the software as an educational tool, was answered by students. The results characterized the computer application developed as an auxiliary tool for assisting teachers in lectures and students in the learning process.

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In this study, electric arc furnace dust (EAFD) was thermally modified at different temperatures under H2 flow or charcoal in order to obtain reduced iron phases (Fe3O4, FeO and Fe0). The formation of these phases was confirmed by powder X-ray diffraction. The tests performed for reducing Cr (VI) using resultant materials obtained after thermal treatment of the EAFD showed excellent results, with PAE600H (EAFD reduced at 600 ºC under H2 flow) decreasing around 100% of the Cr (VI) in only 10 minutes of reaction. These results indicate the possibility of adding value to the residue, obtaining materials that offer great potential for environmental applications.

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Because of their practical applications, porous materials attract the attention of undergraduate students in a way that can be used to teach techniques and concepts in various chemistry disciplines. Porous materials are studied in various chemistry disciplines, including inorganic, organic, and physical chemistry. In this work, the syntheses of a microporous material and a mesoporous material are presented. The porosity of the synthesized materials is characterized by X-ray diffraction analysis. We show that this technique can be used to determine the pore dimensions of the synthesized materials.

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A software that includes both Stochastic and Molecular Dynamics procedures has been developed with the aim of visualizing the Stern-Volmer kinetic mechanism of dynamic luminescence quenching. The software allows the student to easily simulate and graphically visualize the molecular collisions, the molecular speed distributions, the luminescence decay curves, and the Stern-Volmer graphs. The software named "SternVolmer" is written for the FreeBASIC compiler and can be applied to dynamic systems where luminescent molecules, during their excited state lifetimes, are able to collide with quenching molecules (collisional quenching). The good agreement found between the simulations and the expected results shows that this software can be used as an effective teaching aid for the study of luminescence and kinetic decay of excited states.

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Resonance is a useful concept that shows how electrons are shared between two or more atoms and allows a prediction of the chemical reactivity and relative stability of reagents, intermediates, and products. An educational software that enables interactive exploration of the concepts related to resonance and thereby facilitates its understanding was developed. The software was field-tested, and an evaluation questionnaire concerning the software as an educational tool was answered by the students and professors involved in the test. The results led to the conclusion that the developed computer application can be characterized as an auxiliary tool that assists teachers in their lectures and students in their learning process.

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The objective of this work was to develop a free access exploratory data analysis software application for academic use that is easy to install and can be handled without user-level programming due to extensive use of chemometrics and its association with applications that require purchased licenses or routines. The developed software, called Chemostat, employs Hierarchical Cluster Analysis (HCA), Principal Component Analysis (PCA), intervals Principal Component Analysis (iPCA), as well as correction methods, data transformation and outlier detection. The data can be imported from the clipboard, text files, ASCII or FT-IR Perkin-Elmer “.sp” files. It generates a variety of charts and tables that allow the analysis of results that can be exported in several formats. The main features of the software were tested using midinfrared and near-infrared spectra in vegetable oils and digital images obtained from different types of commercial diesel. In order to validate the software results, the same sets of data were analyzed using Matlab© and the results in both applications matched in various combinations. In addition to the desktop version, the reuse of algorithms allowed an online version to be provided that offers a unique experience on the web. Both applications are available in English.

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This diploma thesis has been done to international organization which takes care from the accounting actions of two major companies. In this organization are used three different purchasing tools which are used when new asset master data is wanted to input to SAP R/3- system. The aim of this thesis is to find out how much changing the user interface of one of these three e-procurement programs will affect to overall efficiency in asset accounting. As an addition will be introduced project framework which can be used in future projects and which help to avoid certain steps in the development process. At the moment data needs to be inputted manually with many useless mouse clicks and data needs to be searched from many various resources which slow down the process. Other organization has better tools at the moment than the myOrders system which is under investigation Research was started by exploring the main improvement areas. After this possible defects were traced. Suggested improvements were thought by exploring literature which has been written from usability design and research. Meanwhile also directional calculations from the benefits of the project were done alongside with the analysis of the possible risks and threats. After this NSN IT approved the changes which they thought was acceptable. The next step was to program them into tool and test them before releasing to production environment. The calculations were made also from implemented improvements and compared them to planned ones From whole project was made a framework which can be utilized also to other similar projects. The complete calculation was not possible because of time schedule of the project. Important observation in the project was that efficiency is not improved not only by changing the GUI but also improving processes without any programming. Feedback from end user should be also listened more in development process. End-user is after all the one who knows the best how the program should look like.

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The size and complexity of projects in the software development are growing very fast. At the same time, the proportion of successful projects is still quite low according to the previous research. Although almost every project's team knows main areas of responsibility which would help to finish project on time and on budget, this knowledge is rarely used in practice. So it is important to evaluate the success of existing software development projects and to suggest a method for evaluating success chances which can be used in the software development projects. The main aim of this study is to evaluate the success of projects in the selected geographical region (Russia-Ukraine-Belarus). The second aim is to compare existing models of success prediction and to determine their strengths and weaknesses. Research was done as an empirical study. A survey with structured forms and theme-based interviews were used as the data collection methods. The information gathering was done in two stages. At the first stage, project manager or someone with similar responsibilities answered the questions over Internet. At the second stage, the participant was interviewed; his or her answers were discussed and refined. It made possible to get accurate information about each project and to avoid errors. It was found out that there are many problems in the software development projects. These problems are widely known and were discussed in literature many times. The research showed that most of the projects have problems with schedule, requirements, architecture, quality, and budget. Comparison of two models of success prediction presented that The Standish Group overestimates problems in project. At the same time, McConnell's model can help to identify problems in time and avoid troubles in future. A framework for evaluating success chances in distributed projects was suggested. The framework is similar to The Standish Group model but it was customized for distributed projects.

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Software testing is one of the essential parts in software engineering process. The objective of the study was to describe software testing tools and the corresponding use. The thesis contains examples of software testing tools usage. The study was conducted as a literature study, with focus on current software testing practices and quality assurance standards. In the paper a tool classifier was employed, and testing tools presented in study were classified according to it. We found that it is difficult to distinguish current available tools by certain testing activities as many of them contain functionality that exceeds scopes of a single testing type.

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Today cloud computing is the next stage in development information-oriented society in field of information technologies. Great attention is paid to cloud computing in general, but the lack of scientific consideration to components brings to the problem, that not all aspects are well examined. This thesis is an attempt to consider Platform as a Service (a technology of providing development environment through the Internet) from divergent angles. Technical characteristics, costs, time, estimation of effectiveness, risks, strategies that can be applied, migration process, advantages and disadvantages and the future of the approach are examined to get the overall picture of cloud platforms. During the work literature study was used to examine Platform as a Service, characteristics of existent cloud platforms were explored and a model of a typical software development company was developed to create a scenario of migration to cloud technologies. The research showed that besides all virtues in reducing costs and time, cloud platforms have some significant obstacles in adoption. Privacy, security and insufficient legislation impede the concept to be widespread.

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Solid state compounds of general formula ML2.nH2O [where M is Mg, Ca, Sr or Ba; L is cinnamate (C6H5 -CH=CH-COO-) and n = 2, 4, 0.8, 3 respectively], have been synthetized. Thermogravimetry (TG), derivative thermogravimetry (DTG), differential scanning calorimetry (DSC) and X-ray diffraction powder patterns have been used to characterize and to study the thermal stability and thermal decomposition of these compounds.

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Solid Ln-OHCO3-DMCP compounds, where Ln represents lanthanides (III) and yttrium (III) ions and DMCP is the anion 4-dimethylaminocinnamylidenepyruvate, have been prepared. Thermogravimetry, derivative thermogravimetry (TG, DTG), differential scanning calorimetry (DSC), x-Ray diffraction powder patterns and elemental analysis have been used to characterize the compounds. The thermal stability as well as the thermal decomposition of these compounds were studied using an alumina crucible in an air atmosphere.