Statics and dynamics of adsorbed polymer chains: A Monte Carlo simulation

1995 ◽  
Vol 103 (13) ◽  
pp. 5742-5755 ◽  
Author(s):  
Pik‐Yin Lai
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Polymer Chains ◽  
Adsorbed Polymer ◽  
Statics And Dynamics

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.

Statics and dynamics of dense copolymer melts: A Monte Carlo simulation study

1997 ◽  
Vol 106 (16) ◽  
pp. 6709-6721 ◽  
Author(s):  
Alexander Hoffmann ◽  
Jens-Uwe Sommer ◽  
Alexander Blumen
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Simulation Study ◽  
Monte Carlo Simulation Study ◽  
Copolymer Melts ◽  
Statics And Dynamics

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.

Fractional Brownian modeled linear polymer chains with one dimensional Metropolis Monte Carlo simulation

2015 ◽  
Vol 36 ◽  
pp. 1560017
Author(s):  
J. P. B. Sambo ◽  
B. V. Gemao ◽  
J. B. Bornales
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Probability Distribution ◽  
Numerical Data ◽  
Polymer Chains ◽  
Linear Polymer ◽  
Hurst Parameter ◽  
Metropolis Monte Carlo ◽  
End Distance ◽  
Good Agreement

The scaling expression for fractional Brownian modeled linear polymer chains was obtained both theoretically and numerically. Through the probability distribution of fractional Brownian paths, the scaling was found out to be 〈R2〉 ~ N2H, where R is the end-to-end distance of the polymer chain, N is the number of monomer units and H is the Hurst parameter. Numerical data was generated through the use of Monte Carlo simulation implementing the Metropolis algorithm. Results show good agreement between numerical and theoretical scaling constants after some parameter optimization. The probability distribution confirmed the Gaussian nature of fractional Brownian motion and the behavior is not affected by varying values of the Hurst parameter and of the number of monomer units.

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