scholarly journals Monte Carlo Simulation of Polymer Chains with Excluded Volume on a Cubic Lattice. Local Overlap Model

1996 ◽  
Vol 28 (6) ◽  
pp. 543-547
Author(s):  
Mark Naoshi Kawaguchi
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Polymer Chains ◽  
Excluded Volume ◽  
Cubic Lattice ◽  
Overlap Model

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
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