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Stationary Out of Equilibrium Dynamics of Poly[2]Catenane

Afghahi Farimani, Reyhaneh | 2022

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 55830 (04)
  4. University: Sharif University of Technology
  5. Department: Physics
  6. Advisor(s): Ejtehadi, Mohammad Reza
  7. Abstract:
  8. Achievements in the synthesis of polycatenanes promise new opportunities for having and designing new smart materials. However, the out-of-equilibrium dynamic of polycate-nane is largely unstudied. This research studies the interplay of poly[2]catenane topology and hydrodynamic interactions in pure shear flow using the MPCD method. To question the effect of topological interaction, we simulated systems with bonded rings alongside systems with poly[2]catenane. In order to investigate the effect of hydrodynamic interaction, each system was examined using the random solvent method as well. Our study shows the poly[2]catenane structure can control the shear and stress by twist and rotation around the mechanical bond, this largely affects the dynamics of the polymer under shear
  9. Keywords:
  10. Entanglement ; Molecular Dynamic Simulation ; Shear Flow ; Multi Particle Collision Dynamics (MPCD) ; Polycatenane ; Polymers ; Bonded Ring

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