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Related Concept Videos

Determination of Molar Masses of Polymers II01:27

Determination of Molar Masses of Polymers II

Polymer samples typically consist of macromolecular chains with a distribution of lengths, resulting in a range of molar masses rather than a single discrete value. Conventional descriptors such as the number-average molar mass and weight-average molar mass quantify this distribution but do not fully capture polymer behavior in solution..The viscosity-average molar mass provides a more realistic description of polymer behavior in solution because it accounts for the enhanced contribution of...
Determination of Molar Masses of Polymers I01:24

Determination of Molar Masses of Polymers I

Polymerization produces macromolecules with a range of chain lengths due to the random nature of molecular growth processes. As chains form and terminate at different stages, a single polymer sample contains molecules of varying sizes rather than a uniform structure. This variability is described using average molar masses and distribution-related parameters, which together provide a comprehensive understanding of polymer characteristics.The distribution of molar masses plays a critical role in...
Polymers: Molecular Weight Distribution01:10

Polymers: Molecular Weight Distribution

For any given polymer, the weight average molecular weight (Mw) is higher than, if not equal to, the number average molecular weight (Mn). The only situation in which the weight average molecular weight and the number average molecular weight are equal is when a polymer consists only of chains with equal molecular weight. However, this never happens in a synthetic polymer, since it is difficult to control the polymerization process up to a molecular level with accuracy to a hundred percent.
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...
Molecular Weight of Step-Growth Polymers01:08

Molecular Weight of Step-Growth Polymers

Step growth polymerization involves bi or multifunctional monomers. Bifunctional monomers react to form linear step growth polymers, whereas multifunctional monomers react to form non-linear or branched polymers.
As the step-growth polymerization involves step-wise condensation of monomers, the molecular weight also builds up eventually. Consequently, high molecular weight polymers are obtained at the late stages of the polymerization, where 99% of monomers have been consumed.
The extent of the...
Polymers: Defining Molecular Weight01:01

Polymers: Defining Molecular Weight

Unlike small molecules with definite molecular weights, polymers are a mixture of individual polymer chains of varying lengths, each with a unique molecular weight. So, the molecular weight of a polymer is expressed as an average value based on the average size of the polymer chains. The two most common forms of averages used for polymers are the number average molecular weight and weight average molecular weight.
The number average molecular weight (Mn) is the summation of the number...

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DNA Nanotubes as a Versatile Tool to Study Semiflexible Polymers
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Published on: October 25, 2017

Predicting polymer nanofiber interactions via molecular simulations.

Sezen Buell1, Gregory C Rutledge, Krystyn J Van Vliet

  • 1Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA.

ACS Applied Materials & Interfaces
|April 14, 2010
PubMed
Summary
This summary is machine-generated.

Molecular dynamics simulations reveal attractive forces and coalescence in nanoscale polymer fibers below their glass transition temperature. Molecular statics show a transition from attraction to repulsion, impacting nonwoven mat properties.

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Area of Science:

  • Materials Science
  • Polymer Physics
  • Computational Chemistry

Background:

  • Nonwoven textile properties are dictated by fiber-fiber interactions.
  • Nanoscale polymer fibers exhibit unique surface and contact behaviors.
  • Understanding these interactions is crucial for material design.

Purpose of the Study:

  • To investigate interfiber interactions in nanoscale polymeric fibers using molecular simulations.
  • To compare results from molecular dynamics (MD) and molecular statics (MS) approaches.
  • To relate simulation findings to experimental observations in electrospun nanofiber mats.

Main Methods:

  • Utilized MD simulations below the glass transition temperature (Tg).
  • Employed MS (energy minimization) for static analysis.
  • Studied prototypical polymeric fibers (4.6 nm diameter, C100 chains).

Main Results:

  • MD simulations showed significant attraction and coalescence of parallel fibers within 9 nm.
  • MS calculations indicated a transition from attraction to repulsion at 6 nm separation.
  • Both methods yielded quantitative relations for fiber-fiber interaction energies U(s), but with different interaction forms.

Conclusions:

  • Simulation results highlight the influence of molecular mobility and temperature on interfiber interactions.
  • Discrepancies between MD and MS underscore the importance of modeling perspective.
  • Findings aid in interpreting experimental data for polymer nanofiber mats and suggest future research directions.