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Related Concept Videos

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...
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...
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: 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.
Polymer Classification: Stereospecificity01:26

Polymer Classification: Stereospecificity

Polymerization generates chiral centers along the entire backbone of a polymer chain. Accordingly, the stereochemistry of the substituent group has a significant effect on polymer properties. Polymers formed from monosubstituted alkene monomers feature chiral carbons at every alternate position in the polymer backbone. Relative to the predominant orientation of substituents at the adjacent chiral carbons, the polymer can exist in three different configurations: isotactic, syndiotactic, and...

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Self-assembling Morphologies Obtained from Helical Polycarbodiimide Copolymers and Their Triazole Derivatives
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Method for sampling compact configurations for semistiff polymers.

Alexey Siretskiy1, Christer Elvingson, Pavel Vorontsov-Velyaminov

  • 1Department of Physical and Analytical Chemistry, Uppsala University, Uppsala, Sweden. alexey.siretskiy@fki.uu.se

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|August 27, 2011
PubMed
Summary
This summary is machine-generated.

A new Monte Carlo method enhances polymer simulations by efficiently sampling compact configurations. This allows for detailed study of structural properties and phase transitions in semistiff polymers like DNA.

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Area of Science:

  • Computational physics and biophysics
  • Polymer physics
  • Statistical mechanics

Background:

  • Investigating structural properties of semistiff polymers (e.g., proteins, DNA) requires efficient sampling of compact configurations.
  • Conventional Monte Carlo methods can struggle with adequately sampling these complex states.

Purpose of the Study:

  • To introduce and validate a novel configuration-biased Monte Carlo sampling scheme for continuous polymer models.
  • To enable efficient collection of statistical data across a wide range of polymer compactions in a single simulation.

Main Methods:

  • Development and testing of a configuration-biased Monte Carlo method.
  • Integration of the proposed method with the Wang-Landau sampling scheme.
  • Comparison of the new method with conventional sampling techniques.

Main Results:

  • The configuration-biased Monte Carlo method, combined with Wang-Landau sampling, effectively samples compact polymer configurations.
  • Statistical data for diverse compactions, from stretched to toroidal, were collected in a single experiment.
  • A second-order-like phase transition from a stretched to a toroidal state was observed in a semistiff polymer.

Conclusions:

  • The proposed method significantly improves the efficiency of sampling compact polymer configurations.
  • It facilitates the comprehensive study of thermodynamic properties and phase transitions in semistiff polymers.
  • The observed phase transition provides insights into polymer structural behavior.