Ground-State Properties of a Polymer Chain in an Attractive Sphere

Arkin H., Janke W.

JOURNAL OF PHYSICAL CHEMISTRY B, cilt.116, sa.34, ss.10379-10386, 2012 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 116 Sayı: 34
  • Basım Tarihi: 2012
  • Doi Numarası: 10.1021/jp304844k
  • Dergi Adı: JOURNAL OF PHYSICAL CHEMISTRY B
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.10379-10386
  • Ankara Üniversitesi Adresli: Evet

Özet

We analyze the structural formation of a polymer chain inside of an attractive sphere depending on the attraction strength. Our model is composed of a coarse-grained polymer and an attractive sphere potential. Within this frame, multicanonical Monte Carlo simulations are employed to identify the global minimum energies for a polymer chain interacting with the attractive inner wall of the sphere. Different compact structures are found with varying attraction strengths, among which are spherical, three/two, or monolayer. The conformational properties of these structures are presented.