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Related Concept Videos

Polymer Classification: Crystallinity01:21

Polymer Classification: Crystallinity

Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
Determination of Crystal Structures01:29

Determination of Crystal Structures

In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...
Classification and Mechanical Properties of Synthetic Polymers01:28

Classification and Mechanical Properties of Synthetic Polymers

Synthetic polymers are classified as elastomers, fibers, or plastics based on their crystallinity. Crystallinity, the degree of long-range order in the solid state, influences the mechanical properties (stretching or contracting) of elastomers. Elastomers are flexible polymers that can expand or contract easily upon the application of an external force. They have numerous crosslinks that pull them back into their original shape when stress is removed. Silicones, for instance, are highly elastic...
X-ray Crystallography02:18

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
Structures of Solids02:22

Structures of Solids

Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...

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Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
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Molecular dynamics in ordered structures: computer simulation and experimental results for nylon 66 crystals.

J J Wendoloski, K H Gardner, J Hirschinger

    Science (New York, N.Y.)
    |January 26, 1990
    PubMed
    Summary

    Molecular dynamics simulations and deuterium NMR experiments reveal that nylon 66 methylene groups exhibit librational motion, not jumps, below melting. This study enhances understanding of polymer dynamics and crystal structure.

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    Area of Science:

    • Polymer Science
    • Materials Science
    • Computational Chemistry

    Background:

    • Understanding molecular motion in crystalline polymers like nylon 66 is crucial for predicting material properties.
    • Experimental techniques like deuterium nuclear magnetic resonance (NMR) provide insights into molecular dynamics.
    • Molecular dynamics (MD) simulations offer a complementary approach to study atomic-level motion.

    Purpose of the Study:

    • To compare MD simulations with experimental deuterium NMR data for crystalline nylon 66.
    • To elucidate the nature of molecular motion in nylon 66 at different temperatures.
    • To investigate the cooperativity of motion and structure-dynamics correlations in the polymer.

    Main Methods:

    • Performing molecular dynamics simulations of nylon 66.
    • Conducting experimental characterization using deuterium nuclear magnetic resonance (NMR) spectroscopy.
    • Comparing simulation results with experimental data at room temperature and near the melting point.

    Main Results:

    • MD simulations quantitatively matched experimental NMR results at room temperature.
    • Both methods showed methylene groups in nylon 66 crystals undergo large-amplitude librational motion, not conformational jumps, near the melting point.
    • Immobile hydrogen-bonded amide groups were observed below 230°C.

    Conclusions:

    • MD simulations are a valuable tool for studying polymer dynamics, especially cooperativity and structure-dynamics relationships.
    • The study provides detailed insights into the librational motion of methylene segments in nylon 66.
    • Concerted bond rotations and entropic stabilization contribute to the crystal structure's dynamics.