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Related Concept Videos

Chair Conformation of Cyclohexane02:02

Chair Conformation of Cyclohexane

The chair conformation is the most stable form of cyclohexane due to the absence of angle and torsional strain. The absence of angle strain is a result of cyclohexane’s bond angle being very close to the ideal tetrahedral bond angle of 109.5° in its chair conformer. Similarly, the torsional strain is also absent owing to the perfectly staggered arrangement of bonds.
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Kinetic Selection of Chain Folds under Entanglement Constraint.

Renkuan Cao1, Fan Peng1, Hao Sun1

  • 1National Synchrotron Radiation Laboratory, State Key Laboratory of Advanced Glass Materials, Anhui Provincial Engineering Research Center for Advanced Functional Polymer Films, University of Science and Technology of China, Hefei, Anhui 230029, China.

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Understanding polymer crystallization is key. We found an along-chain force drives polymer chains to disentangle and form tight folds, with fold fraction scaling inversely with entanglement length.

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Area of Science:

  • Polymer Science
  • Materials Science
  • Computational Chemistry

Background:

  • Polymer crystallization involves folding long-chain molecules.
  • Entanglement topological constraints pose a significant challenge to achieving tight folds.

Purpose of the Study:

  • Investigate the mechanism of polymer chain folding under entanglement constraints.
  • Identify factors governing tight-fold formation in polymer crystallization.

Main Methods:

  • Utilized molecular dynamics simulations.
  • Analyzed polymer chain behavior and movement dynamics.

Main Results:

  • Observed directional reptation of polymer chains toward the growth front.
  • Demonstrated an along-chain force facilitating disentanglement and tight-fold formation.
  • Revealed a linear scaling between tight-fold fraction and the reciprocal of entanglement length.

Conclusions:

  • Entanglement length and chain rigidity regulate tight-fold formation.
  • Entanglement limits the scale of folding, while rigidity affects bending difficulty.