Startseite Molecular dynamics simulation of stretch-induced crystallization of star polymers as compared to their linear counterparts
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Molecular dynamics simulation of stretch-induced crystallization of star polymers as compared to their linear counterparts

  • Tongfan Hao EMAIL logo , Wenxue Gao , Jiayu Wang , Zhiping Zhou , Yongqiang Ming und Yijing Nie EMAIL logo
Veröffentlicht/Copyright: 8. Mai 2023
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Journal of Polymer Engineering
Aus der Zeitschrift Journal of Polymer Engineering Band 43 Heft 6

Abstract

The linear and star polyethylene during static crystallization and stretch-induced crystallization has been investigated by molecular dynamics simulations. The findings demonstrate that the branching point of the star polymer system does not participate in crystallization, and the crystallization ability of the segments near the branching point and at the end of the chains is inferior. Due to the existence of branching points, the mobility and conformational extension of chain segments are weak, and the entanglement degree is higher than that of linear systems. For stretch-induced crystallization, stretching promotes the extension of molecular chains and arranges them along the stretching direction. The crystal nucleation and growth in linear and star polymer systems are significantly faster than in static crystallization. The mobility of the chain segments close to the branching point is partially enhanced by stretching, while the branching point still substantially affects the chain conformation and segment orientation. It is worth mentioning that we have verified some crucial results that cannot be observed in the experiments at the microscopic scale.

Keywords: crystallization; molecular dynamics simulations; star polymer
Corresponding authors: Tongfan Hao and Yijing Nie, Research School of Polymeric Materials, School of Materials Science and Engineering, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, China, E-mail: ,

Funding source: Natural Science Foundation of Jiangsu Province

Award Identifier / Grant number: No. BK20190866

Funding source: National Natural Science Foundation of China

Award Identifier / Grant number: No. 21404050

Award Identifier / Grant number: No. 52173020

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: This work was supported by the Natural Science Foundation of Jiangsu Province (no. BK20190866) and the National Natural Science Foundation of China (nos. 21404050 and 52173020). This research is also supported by the Open Research Fund of CNMGE Platform & NSCC-TJ (no. CNMGE202101013).

  3. Conflict of interest statement: The authors declare that they do not have any conflicts of commercial or associated interests in connection with the submitted work.

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Supplementary Material

This article contains supplementary material (https://doi.org/10.1515/polyeng-2023-0026).

Received: 2023-02-03
Accepted: 2023-04-06
Published Online: 2023-05-08
Published in Print: 2023-07-26

© 2023 Walter de Gruyter GmbH, Berlin/Boston

Artikel in diesem Heft

  1. Frontmatter
  2. Material Properties
  3. A fundamental approach to determine the impact of aramid and carbon fibers on durability and tribological performance of different polymer composites demonstrated in gear transmission process
  4. Structural characters of biaxially stretched polypropylene films and the relevant electrical insulating properties
  5. Preparation and Assembly
  6. The consequences of removing fluorinated compounds from rigid contact lenses
  7. Electrosprayed low toxicity polycaprolactone microspheres from low concentration solutions
  8. Engineering and Processing
  9. Molecular dynamics simulation of stretch-induced crystallization of star polymers as compared to their linear counterparts
  10. Additive manufactured parts produced by selective laser sintering technology: porosity formation mechanisms
  11. The efficient removal of low concentration hexavalent chromium via combining charged microporous membrane and micellar adsorption filtration
https://doi.org/10.1515/polyeng-2023-0026
Schlagwörter für diesen Artikel
crystallization; molecular dynamics simulations; star polymer

Artikel in diesem Heft

  1. Frontmatter
  2. Material Properties
  3. A fundamental approach to determine the impact of aramid and carbon fibers on durability and tribological performance of different polymer composites demonstrated in gear transmission process
  4. Structural characters of biaxially stretched polypropylene films and the relevant electrical insulating properties
  5. Preparation and Assembly
  6. The consequences of removing fluorinated compounds from rigid contact lenses
  7. Electrosprayed low toxicity polycaprolactone microspheres from low concentration solutions
  8. Engineering and Processing
  9. Molecular dynamics simulation of stretch-induced crystallization of star polymers as compared to their linear counterparts
  10. Additive manufactured parts produced by selective laser sintering technology: porosity formation mechanisms
  11. The efficient removal of low concentration hexavalent chromium via combining charged microporous membrane and micellar adsorption filtration
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