scholarly journals A lattice Monte Carlo study of long chain conformations at solid–polymer melt interfaces

1993 ◽  
Vol 99 (4) ◽  
pp. 3100-3111 ◽  
Author(s):  
Ioannis A. Bitsanis ◽  
Gerrit ten Brinke
Keyword(s):  
Monte Carlo ◽  
Polymer Melt ◽  
Monte Carlo Study ◽  
Solid Polymer ◽  
Lattice Monte Carlo ◽  
Chain Conformations ◽  
Long Chain

A Monte Carlo Study of Flexible Polymer Chain Conformations in Restricted Volumes. I. A Model for Insoluble Blocks Conformations in Swollen Cores of Multimolecular Spherical Block Copolymer Micelles

1993 ◽  
Vol 58 (10) ◽  
pp. 2290-2304 ◽  
Author(s):  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Block Copolymer ◽  
Monte Carlo Study ◽  
Volume Effect ◽  
Micellar Systems ◽  
Flexible Polymer ◽  
Block Copolymer Micelles ◽  
Copolymer Micelles ◽  
Chain Conformations ◽  
Chain Lengths

Monte Carlo simulations of chain conformations in a restricted spherical volume at relatively high densities of segments were performed for various numbers of chains, N, and chain lengths (number of segments), L, on a tetrahedral lattice. All chains are randomly end-tethered to the surface of the sphere. A relatively uniform surface density of the tethered ends is guaranteed in our simulations. A simultaneous self-avoiding walk of all chains creates starting conformations for a subsequent equilibration. A modified algorithm similar to that of Siepmann and Frenkel is used for the equilibration of the chain conformations. In this paper, only a geometrical excluded volume effect of segments is considered. Various structural and conformational characteristics, e.g. segment densities gS(r), free end densities gF(r) as functions of the position in the sphere (a distance from the center), distributions of the tethered-to-free end distances, ρTF(rTF), etc. are calculated and their physical meaning is discussed. The model is suitable for studies of chain conformations is swollen cores of multimolecular block copolymer micelles and for interpretation of non-radiative excitation energy migration in polymeric micellar systems.

Lattice Monte Carlo Simulations of Chain Conformations in Polymer Nanocomposites

2005 ◽  
Vol 38 (10) ◽  
pp. 4495-4500 ◽  
Author(s):  
Murat S. Ozmusul ◽  
Catalin R. Picu ◽  
S. S. Sternstein ◽  
Sanat K. Kumar
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Polymer Nanocomposites ◽  
Lattice Monte Carlo ◽  
Chain Conformations

Dilution effect on the compensation temperature in a honeycomb nano-lattice: Monte Carlo study

2020 ◽  
Vol 63 ◽  
pp. 36-44 ◽  
Author(s):  
M. Qajjour ◽  
N. Maaouni ◽  
Z. Fadil ◽  
A. Mhirech ◽  
B. Kabouchi ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Dilution Effect ◽  
Monte Carlo Study ◽  
Compensation Temperature ◽  
Lattice Monte Carlo

scholarly journals Molecular bottle brushes in thin films: An off-lattice Monte Carlo study

1999 ◽  
Vol 110 (2) ◽  
pp. 1180-1187 ◽  
Author(s):  
Mika Saariaho ◽  
Olli Ikkala ◽  
Gerrit ten Brinke
Keyword(s):  
Thin Films ◽  
Monte Carlo ◽  
Monte Carlo Study ◽  
Lattice Monte Carlo ◽  
Bottle Brushes
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