Off‐lattice Monte Carlo study of ring polymers

1976 ◽  
Vol 65 (2) ◽  
pp. 747-751 ◽  
Author(s):  
W. Bruns ◽  
J. Naghizadeh
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Study ◽  
Lattice Monte Carlo ◽  
Ring Polymers

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

Monte Carlo Study of Dilute Solutions of Heteroarm Star Copolymers in Solvents Differing in Thermodynamic Quality

2005 ◽  
Vol 70 (11) ◽  
pp. 1848-1860 ◽  
Author(s):  
Jitka Havránková ◽  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Common Good ◽  
Molecular Level ◽  
Monte Carlo Study ◽  
Coarse Graining ◽  
Quantitative Agreement ◽  
Conformational Behavior ◽  
Lattice Monte Carlo ◽  
Selective Solvents ◽  
Star Copolymers

Lattice Monte Carlo simulations (an original modification of the Siepmann and Frenkel simulation variant) was used to study the conformational behavior of heteroarm star copolymers star-(polystyrene; polyisoprene), PS8PI8, in a common good solvent for both types of arms (tetrahydrofuran) and in selective θ-solvents for both types of arms (in cyclohexane, i.e., in θ-solvent for PS and in 1,4-dioxane, i.e. in θ-solvent for PI). Results of simulations were compared with experimental data published by Pispas et al. The coarse graining procedure was performed to match the experimental behavior of heteroarm stars in a good solvent. The computer simulations reproduce all decisive trends of the conformational behavior for both selective solvents. The quantitative agreement between experimental and simulated size characteristics is very good. Simulations yield very detailed information on the system at the molecular level and show that the incompatible arms significantly segregate in selective solvents.

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