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    Detection of Unknown Specimen PPT Using XRD

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    Nitesh Chaudhari
    This document summarizes a presentation on using X-ray diffraction (XRD) to identify unknown specimens. It describes the powder diffraction method as most suitable. The basic principles involve collecting known diffraction patterns in a database and matching an unknown pattern to identify it. The procedure involves sample preparation, data collection, calculating plane spacing and intensities, and comparing values to known patterns to identify the unknown. An example is provided where NaCl is identified as the unknown based on matching three strongest diffraction peaks. Practical difficulties can arise from errors in patterns or database files, and the method fails if the substance is not in the database.

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    Detection of Unknown Specimen PPT Using XRD

    Uploaded by

    Nitesh Chaudhari
    102 views10 pages
    This document summarizes a presentation on using X-ray diffraction (XRD) to identify unknown specimens. It describes the powder diffraction method as most suitable. The basic principles involve collecting known diffraction patterns in a database and matching an unknown pattern to identify it. The procedure involves sample preparation, data collection, calculating plane spacing and intensities, and comparing values to known patterns to identify the unknown. An example is provided where NaCl is identified as the unknown based on matching three strongest diffraction peaks. Practical difficulties can arise from errors in patterns or database files, and the method fails if the substance is not in the database.

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    Detection of unknown specimen PPT using xrd

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    This document summarizes a presentation on using X-ray diffraction (XRD) to identify unknown specimens. It describes the powder diffraction method as most suitable. The basic principles involve collecting known diffraction patterns in a database and matching an unknown pattern to identify it. The procedure involves sample preparation, data collection, calculating plane spacing and intensities, and comparing values to known patterns to identify the unknown. An example is provided where NaCl is identified as the unknown based on matching three strongest diffraction peaks. Practical difficulties can arise from errors in patterns or database files, and the method fails if the substance is not in the database.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    102 views10 pages

    Detection of Unknown Specimen PPT Using XRD

    Uploaded by

    Nitesh Chaudhari
    This document summarizes a presentation on using X-ray diffraction (XRD) to identify unknown specimens. It describes the powder diffraction method as most suitable. The basic principles involve collecting known diffraction patterns in a database and matching an unknown pattern to identify it. The procedure involves sample preparation, data collection, calculating plane spacing and intensities, and comparing values to known patterns to identify the unknown. An example is provided where NaCl is identified as the unknown based on matching three strongest diffraction peaks. Practical difficulties can arise from errors in patterns or database files, and the method fails if the substance is not in the database.

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    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    of 10

    Presentation on

    XRD APPLICATION :
    Identification of an Unknown Specimen
    Subject : Material Characterization

    By,
    Mr. Nishant Shashikant Joshi, Roll No.: 192ML014,
    Mr. Nitesh Eknath Chaudhari, Roll No.: 192ML015.
    First Year M Tech in Materials Engineering, NIT Surathkal, Karnataka.

    Under the Guidance of


    Dr. Shashi Bhushan Arya
    Assistant Professor at NIT Surathkal, Karnataka.
    XRD Methods
    1.Laue Method
    2.Rotating Crystal Method
    3.Powder Diffraction Method

    Most suitable – Powder Diffraction Method

    With this method we can find out unknown specimens


    like,
    Ores, Clays, Refractories, Alloys, Corrosion Products, Wear Products, Industrial Dust,
    Pharmaceutical Products, minerals, organic compounds etc.
    BASIC PRINCIPLES
    Diffraction Pattern – Fingerprint of a
    Substance

    Collection of known Pattern –


    Powder Diffraction file (PDF)organized by
    Joint Committee on Powder Diffraction Standards (JCPDS),
    later renamed as International Centre for Diffraction Data (ICDD)
    It has 8,93,000+ Powder Diffraction Patterns as per 2019 release data
    by ICDD.

    Matching the known Pattern –


    1. Hanawalt Method,
    2. Fink Method
    PROCEDURE
    1.Sample Preparation
    2.Selection of wavelength
    3.Recording of Pattern Data
    4.Calculation of Plane Spacing ‘d’
    5.Calculation of ‘I/I1’
    6.Locate the appropriate ‘d’ in the numerical search
    manual
    7.Compare the all ‘d’ & ‘I/I1’ values with tabulated
    8.Full agreement – Identification complete
    EXAMPLE OF ANALYSIS
    For unknown specimen we get following data with
    Cu-kα radiation & Debye Scherrer camera.
    EXAMPLE OF ANALYSIS

    We select three strongest


    intensity values.
    d1 = 2.82 Å,
    d2 = 1.99 Å,
    d3 = 1.63 Å.
    EXAMPLE OF ANALYSIS
    From numerical search manual d1 = 2.84 to 2.80 Å group
    From above group – 17 elements have d2 =1.99 Å
    But only 4 elements have d1 = 2.82 Å

    From this data only NaCl has d3 = 1.63 Å


    Therefore unknown sample is NaCl.
    Standard JCPDS diffraction data card for NaCl
    Where,
    1 - File number
    2 - Three strongest
    intensities
    3 - Lowest angle line
    4 - Chemical formula &
    name of substance
    5 - Data on diffraction
    method used
    6 - Crystallographic
    data
    7 - Optical & other
    data
    8 – Data on specimen
    9 - Diffraction pattern
    PRACTICAL DIFFICULTIES
    1. Errors in the diffraction pattern of the unknown.

    2. Errors in the card file.

    This method fails when unknown is a substance not listed in a card file
    NEW XRD

    THANK
    YOU
    VERY
    MUCH

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