scholarly journals Self-assembly of patchy particles into polymer chains: A parameter-free comparison between Wertheim theory and Monte Carlo simulation

2007 ◽  
Vol 126 (19) ◽  
pp. 194903 ◽  
Author(s):  
Francesco Sciortino ◽  
Emanuela Bianchi ◽  
Jack F. Douglas ◽  
Piero Tartaglia
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Self Assembly ◽  
Polymer Chains ◽  
Patchy Particles

Computer Simulation of Self-Assembly of Disc-Shaped Nanoparticles

2013 ◽  
Vol 710 ◽  
pp. 716-719
Author(s):  
Bo Du ◽  
Zi Lu Wang ◽  
Xue Hao He
Keyword(s):  
Computer Simulation ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Simulated Annealing ◽  
Formation Mechanism ◽  
Self Assembly ◽  
Nematic Phase ◽  
The Self ◽  
Isotropic Phase ◽  
Shaped Nanoparticles

Understanding how nanoparticles self-assemble into specific structures is important in biology. The self-assembly structures of disc-shaped nanoparticles are investigated using Gay Berne potential. Through the simulated annealing Monte Carlo simulation underNVTcondition, we found that various nanostructures such as nematic phase and isotropic phase are discovered. The formation mechanism of these novel nanostructures is discussed.

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

scholarly journals Stepwise study on Janus-like particles fabricated by polymeric mixtures within soft droplets: a Monte Carlo simulation

RSC Advances ◽  
2017 ◽  
Vol 7 (61) ◽  
pp. 38666-38676 ◽  
Author(s):  
Yuping Sheng ◽  
Li Xia ◽  
Guanzhou Yang ◽  
Yiqing Xia ◽  
Yong Huang ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Self Assembly ◽  
The Self ◽  
Janus Particles ◽  
Polymer Mixtures ◽  
Assembly Behavior

Janus particles were fabricated using different polymer mixtures and the self-assembly behavior for different particles was compared.

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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