Effect of cyclic chain architecture on properties of dilute solutions of polyethylene from molecular dynamics simulations Academic Article uri icon

abstract

  • The effect of cyclic chain architecture on properties of dilute solutions of polyethylene from molecular dynamics simulations was studied. A van der Walls scaling factor determined for each solvent by matching to the theta condition was used to include solvent effects in estimating the properties. It was predicted that the theta temperature of cyclic polyethylene is ∼10% lower than for linear case.

author list (cited authors)

  • Jang, S. S., Çağin, T., & Goddard, W. A.

citation count

  • 28

publication date

  • July 2003