Engineering Chemistry Assignments

Submitted by Submitted to
Department of Chemical
Sagar Poudel
Engineering
Civil
080BCE137
Introduction to X-
Ray Diffraction
X-ray diffraction is a powerful analytical technique used to study the atomic and
molecular structure of materials. It reveals detailed information about the
crystalline structure, chemical composition, and physical properties of a wide
range of substances.
Principles of X-Ray Diffraction
1 X-Ray Generation
X-rays are produced when high-energy electrons collide with a metal target, creating
a beam of electromagnetic radiation.

2 Interaction with Crystals

When an x-ray beam strikes a crystalline material, the atoms within the crystal
lattice scatter the x-rays in specific directions.

3 Diffraction Pattern
The scattered x-rays interfere constructively and destructively, creating a unique
diffraction pattern that reveals the crystal structure.
Crystalline Structure and Diffraction
Lattice Structure Bragg's Law Unique Patterns

Crystalline materials have a
repeating, three-dimensional
arrangement of atoms, ions, or
molecules known as a crystal
lattice.
The diffraction of x-rays by a
crystal is described by Bragg's
law, which relates the
wavelength of the x-rays to the
spacing between atomic planes.
Each crystalline material has a
unique diffraction pattern,
allowing for the identification
and characterization of unknown
samples.
X-Ray Diffraction Techniques

1 Powder Diffraction 2 Single Crystal Diffraction

Analyzing the diffraction pattern of a powdered Studying the diffraction pattern of a single,
sample to determine its crystalline structure well-defined crystal to obtain detailed
and composition. structural information.

3 Thin Film Diffraction 4 In-Situ Diffraction

Investigating the structure and properties of Monitoring the structural changes of a material
thin, crystalline films deposited on a substrate. during processing or in-use conditions.
Data Analysis and Interpretation
Peak Identification Quantitative Analysis
Matching the observed diffraction peaks to known Determining the relative amounts of different
crystal structures and compounds. phases or compounds present in a sample.

Structural Refinement Advanced Techniques

Optimizing the fit between the observed and Employing methods like Rietveld refinement and
calculated diffraction patterns to obtain precise pair distribution function analysis for complex
structural parameters. structural studies.
Applications of X-Ray Diffraction

Materials Science Chemistry Geology Pharmaceuticals

Identifying and Determining the Characterizing the
Studying the structure quantifying the mineralogical polymorphic forms and
and properties of a wide crystalline phases in composition of rocks, crystallinity of drug
range of materials, chemical compounds ores, and other substances and
including metals, and catalysts. geological samples. formulations.
ceramics, and polymers.
Bragg's Law

Incident Beam Diffraction Bragg's Law

An x-ray beam strikes the The x-rays are diffracted by the The diffraction angle is related
surface of a crystalline material atoms in the crystal lattice at an to the wavelength of the x-rays
at an angle θ. angle θ. and the spacing between atomic
planes.