Форум » ПЕТРОФИЗИЧЕСКИЕ ВЗАИМОСВЯЗИ - PETROPHYSICAL EQUATIONS » Обработка рентгеновской спектрометрии » Ответить
Обработка рентгеновской спектрометрии
bne: Обработка рентгенновской спектрометрии Данные по Польше с которыми я встретился убедили меня в том, что ситуация ненормальная (что я и предполагал ранее) Поиск оптимума при обработке спектра нередко делается в EXCEL (думаю там стоит проверять что и как работает) Выбор минералов и критерии оценивания качества сомнительные Подобрал вчера основательно литературы Если кому-то из заказчиков это интересно - сделаю новый блок в ModERn Разослал на сей счет запросы по нескольким адресам
Ответов - 5
bne: Новый отчет с данными DRON-3 заставил реанимировать интерес На удивление специфично с XRD публика работает А аккуратная обработка спектров вполне подъемна
bne: По ответам создается впечатление полнейшего зоопарка в обработке и интерпретации этих данных в отрасли Получил информацию от пяти адресатов с совершенно разноплановыми отзывами, оценками и проблемами Жаль, что не испрашивал разрешения их публиковать
bne: Одной из самых неприятных проблем является недоступность в ряде лабораторий результатов в цифре Все выводится в аналоговом виде Пытаюсь продумать способы оцифровки после сканирования, но это явно не технологично
B_N_E_1: Introduction to X-Ray Powder Diffractometry: Ron Jenkins, Robert Snyder Wiley-Interscience | ISBN: 0471513393 | 1996-06-28 432 pages When bombarded with X-rays, solid materials produce distinct scattering patterns similar to fingerprints. X-ray powder diffraction is a technique used to fingerprint solid samples, which are then identified and cataloged for future use-much the way the FBI keeps fingerprints on file. The current database of some 70,000 material prints has been put to a broad range of uses, from the analysis of moon rocks to testing drugs for purity. Introduction to X-ray Powder Diffractometry fully updates the achievements in the field over the past fifteen years and provides a much-needed explanation of the state-of-the-art techniques involved in characterizing materials. It covers the latest instruments and methods, with an emphasis on the fundamentals of the diffractometer, its components, alignment, calibration, and automation. The first three chapters outline diffraction theory in clear language, accessible to both students and professionals in chemistry, physics, geology, and materials science. The book's middle chapters describe the instrumentation and procedures used in X-ray diffraction, including X-ray sources, X-ray detection, and production of monochromatic radiation. The chapter devoted to instrument design and calibration is followed by an examination of specimen preparation methods, data collection, and reduction. The final two chapters provide in-depth discussions of qualitative and quantitative analysis. While the material is presented in an orderly progression, beginning with basic concepts and moving on to more complex material, each chapter stands on its own and can be studied independently or used as a professional reference. More than 230 illustrations and tables demonstrate techniques and clarify complex material. Self-contained, timely, and user-friendly, Introduction to X-ray Powder Diffractometry is an enormously useful text and professional reference for analytical chemists, physicists, geologists and materials scientists, and upper-level undergraduate and graduate students in materials science and analytical chemistry. X-ray powder diffraction-a technique that has matured significantly in recent years-is used to identify solid samples and determine their composition by analyzing the so-called "fingerprints" they generate when X-rayed. This unique volume fulfills two major roles: it is the first textbook devoted solely to X-ray powder diffractometry, and the first up-to-date treatment of the subject in 20 years. This timely, authoritative volume features: * Clear, concise descriptions of both theory and practice-including fundamentals of diffraction theory and all aspects of the diffractometer * A treatment that reflects current trends toward automation, covering the newest instrumentation and automation techniques * Coverage of all the most common applications, with special emphasis on qualitative and quantitative analysis * An accessible presentation appropriate for both students and professionals * More than 230 tables and illustrations Introduction to X-ray Powder Diffractometry, a collaboration between two internationally known and respected experts in the field, provides invaluable guidance to anyone using X-ray powder diffractometers and diffractometry in materials science, ceramics, the pharmaceutical industry, and elsewhere. Table of Contents Preface Cumulative Listing of Volumes in Series Ch. 1 Characteristics of X-Radiation 1 Ch. 2 The Crystalline State 23 Ch. 3 Diffraction Theory 47 Ch. 4 Sources for the Generation of X-Radiation 97 Ch. 5 Detectors and Detection Electronics 121 Ch. 6 Production of Monochromatic Radiation 151 Ch. 7 Instruments for the Measurement of Powder Patterns 173 Ch. 8 Alignment and Maintenance of Powder Diffractometers 205 Ch. 9 Specimen Preparation 231 Ch. 10 Acquisition of Diffraction Data 261 Ch. 11 Reduction of Data from Automated Powder Diffractometers 287 Ch. 12 Qualitative Analysis 319 Ch. 13 Quantitative Analysis 355 Appendix A: Common X-Ray Wavelengths 389 Appendix B: Mass Attenuation Coefficients 390 Appendix C: Atomic Weights and Densities 391 Appendix D: Crystallographic Classification of the 230 Space Groups 392 Index397
bne: Dennis D. Eberl MudMaster is a computer program, developed at the U.S. Geological Survey and written by D. D. Eberl, V. Drits, J. Srodon and R Nuesch, that calculates crystallite size distributions and strain for minerals from X-ray diffraction data. This program was developed to measure particle size distributions for minerals in rocks and soils, because particle size data may yield geological information about a mineral's provenance, degree of metamorphism, degree of weathering, etc. However, this program also would be useful to many types of manufacturers who use or synthesize nano-size material, because a mineral's particle size and strain may strongly influence its physical and chemical properties (e.g. its rheology, surface area, cation exchange capacity, solubility, reflectivity, etc.). Nano-size crystals generally are too fine to be measured by light microscopy. Laser scattering methods give only average particle sizes; therefore, particle size cannot be measured in a particular crystallographic direction. Also, the particles measured by laser techniques may be composed of several different minerals, and may be agglomerations of individual crystals. Measurement by electron and atomic force microscopy is tedious, expensive, and time consuming. It is difficult to measure more that a few hundred particles per sample by these methods. This many measurements, often taking several days of intensive effort, may yield an accurate mean size for a sample, but may be too few to determine an accurate distribution of sizes. Measurement of size distributions by X-ray diffraction (XRD) solves these shortcomings. An X-ray scan of a sample occurs automatically, taking a few minutes to a few hours. The resulting XRD peaks average diffraction effects from billions of individual nano-size particles. Therefore one can determine the size of an individual mineral in a mixture of minerals, and the size in a particular crystallographic direction of that mineral. Crystallite shape can be determined by measuring crystallite size in several crystallographic directions. The XRD method is based on the observation that XRD peaks are broadened regularly as a function of decreasing crystallite size. The program uses a Fourier analysis of XRD peak shape to calculate crystallite size distributions and strain for crystalline samples, according to the theory developed by Bertaut (1950) and Warren and Averbach (1950). The program accurately calculates sizes in the range from about 2 nm to about 100 nm. The upper limit for size determination depends significantly on the accuracy of instrumental standards. Use of MudMaster requires Microsoft Excel, version 5.0 or greater, and an elementary knowledge of how to use the Excel program (pasting data, changing the axis on a chart, etc.). MudMaster works best on a computer having 16 or more megabytes of RAM. Ten or more megabytes should be assigned to run the Excel program if your system offers an option to assign memory to a program. The program occupies about 4 Mb of disk space. Описание взял по ссылке http://www.ccp14.ac.uk/ccp/web-mirrors/krumm/html/software/mudmaster.html Программы на сайте (анонсирован свободный доступ) нет
полная версия страницы