scholarly journals Monte Carlo simulation on the adsorption of polymer chains on polymer brushes

2020 ◽  
Vol 69 (16) ◽  
pp. 168201
Author(s):  
Chao Wang ◽  
Yan-Li Zhou ◽  
Fan Wu ◽  
Ying-Cai Chen
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Polymer Brushes ◽  
Polymer Chains

Solvation of poly(methyl acrylate) and poly(vinyl acetate) by CO2 studied via atomistic Monte Carlo simulation techniques

e-Polymers ◽  
2004 ◽  
Vol 4 (1) ◽  
Author(s):  
Sabine Beuermann ◽  
Michael Buback ◽  
Marco Drache ◽  
Dorit Nelke ◽  
Gudrun Schmidt-Naake
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Vinyl Acetate ◽  
Methyl Acrylate ◽  
Polymer Chains ◽  
Phase Behaviour ◽  
Specific Interactions ◽  
Model Compounds ◽  
Simulation Techniques ◽  
Solvent Environment

Abstract The differences in solubility of poly(vinyl acetate) (PVAc) and poly(methyl acrylate) (PMA) were addressed by applying atomistic Monte Carlo simulation techniques. Polymer segments consisting of nine monomer units serve as model compounds for polymer chains. As a measure of intermolecular interactions with the solvent environment, cohesion energies of the polymer segments embedded in either the corresponding monomer or in CO2 were calculated. Only in case of PMA segments in CO2 environment, specific interactions between polymer segments were identified. This finding is in agreement with experimental results on phase behaviour and propagation kinetics.

Interaction between small colloidal particles and polymer chains in a semidilute solution: Monte Carlo simulation

1998 ◽  
Vol 276 (9) ◽  
pp. 753-768 ◽  
Author(s):  
L. V. Zherenkova ◽  
D. A. Mologin ◽  
P. G. Khalatur ◽  
A. R. Khokhlov
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Colloidal Particles ◽  
Polymer Chains ◽  
Semidilute Solution

Equilibrium and dynamical properties of polymer chains in random medium filled with randomly distributed nano-sized fillers

2015 ◽  
Vol 17 (47) ◽  
pp. 31877-31886 ◽  
Author(s):  
Chao-Yang Li ◽  
Meng-Bo Luo ◽  
Jian-Hua Huang ◽  
Hong Li
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Random Medium ◽  
Polymer Chains ◽  
Linear Polymers ◽  
Lattice Monte Carlo ◽  
Dynamical Properties

The effect of randomly distributed nano-sized fillers on the equilibrium and dynamical properties of linear polymers is studied by using off-lattice Monte Carlo simulation.

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