Literature DB >> 30384696

Communication: A comparison between the solution properties of knotted ring and star polymers.

Fernando Vargas-Lara1, Beatriz A Pazmiño Betancourt1, Jack F Douglas1.   

Abstract

We computationally investigate the good solvent solution properties of knotted ring and star polymers by combining molecular dynamics (MD) simulation and path-integral calculations. We consider knotted rings having a minimal crossing number m c in the range, 0 ≤ m c ≤ 9, and star polymers having a range of f star arms, 2 ≤ f ≤ 20, attached to a common core monomer particle. After generating configurational ensembles of these polymers by MD, we use the path-integration program ZENO to calculate basic configurational properties, i.e., radius of gyration, hydrodynamic radius, intrinsic viscosity, as well as fluctuations in these properties. Our simulations indicate that the configurational properties of knotted rings and star polymers in solution show a similar decrease with increasing m c and f. Moreover, fluctuations in these properties also decrease with increasing topological complexity. Our findings should be helpful in polymer characterization and more generally for understanding the role of polymer topology in polymer material properties.

Entities:  

Year:  2018        PMID: 30384696     DOI: 10.1063/1.5048937

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Influence of network defects on the conformational structure of nanogel particles: From "closed compact" to "open fractal" nanogel particles.

Authors:  Alexandros Chremos; Ferenc Horkay; Jack F Douglas
Journal:  J Chem Phys       Date:  2022-03-07       Impact factor: 3.488

2.  Investigation of Ring and Star Polymers in Confined Geometries: Theory and Simulations.

Authors:  Joanna Halun; Pawel Karbowniczek; Piotr Kuterba; Zoriana Danel
Journal:  Entropy (Basel)       Date:  2021-02-19       Impact factor: 2.738

  2 in total

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