Helical structure from an isotropic homopolymer model

Victor R. Vasquez, Leo Lue, James Magee, Jim Warwicker

Research output: Contribution to conferencePaper

Abstract

We present Monte Carlo simulation results for a square-well homopolymer model at different bond lengths. The model only contains isotropic interactions, which under appropriate conditions the system shows spontaneous chiral symmetry breaking meaning that the chain exists either in a left- or right handed helical structure. We investigate how this behaviour depends upon the ratio between bond length and monomer radius.

Conference

Conference05AIChE: 2005 AIChE Annual Meeting and Fall Showcase
CountryUnited States
CityCincinnati, OH
Period30/10/054/11/05

Fingerprint

Bond length
Homopolymerization
Monomers
Monte Carlo simulation

Keywords

  • crystallization
  • banded spherulites
  • polymers
  • computer simulation
  • molecular dynamics
  • monomers
  • Monte Carlo methods
  • helical structures

Cite this

Vasquez, V. R., Lue, L., Magee, J., & Warwicker, J. (2005). Helical structure from an isotropic homopolymer model. Paper presented at 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Cincinnati, OH, United States.
Vasquez, Victor R. ; Lue, Leo ; Magee, James ; Warwicker, Jim. / Helical structure from an isotropic homopolymer model. Paper presented at 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Cincinnati, OH, United States.1 p.
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Vasquez, VR, Lue, L, Magee, J & Warwicker, J 2005, 'Helical structure from an isotropic homopolymer model' Paper presented at 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Cincinnati, OH, United States, 30/10/05 - 4/11/05, .

Helical structure from an isotropic homopolymer model. / Vasquez, Victor R.; Lue, Leo; Magee, James; Warwicker, Jim.

2005. Paper presented at 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Cincinnati, OH, United States.

Research output: Contribution to conferencePaper

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AU - Vasquez, Victor R.

AU - Lue, Leo

AU - Magee, James

AU - Warwicker, Jim

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N2 - We present Monte Carlo simulation results for a square-well homopolymer model at different bond lengths. The model only contains isotropic interactions, which under appropriate conditions the system shows spontaneous chiral symmetry breaking meaning that the chain exists either in a left- or right handed helical structure. We investigate how this behaviour depends upon the ratio between bond length and monomer radius.

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KW - banded spherulites

KW - polymers

KW - computer simulation

KW - molecular dynamics

KW - monomers

KW - Monte Carlo methods

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Vasquez VR, Lue L, Magee J, Warwicker J. Helical structure from an isotropic homopolymer model. 2005. Paper presented at 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase, Cincinnati, OH, United States.