Influence of chain stiffness on the micellization of block copolymers in a selective solvent as observed in Monte Carlo simulations

1994 ◽  
Vol 100 (10) ◽  
pp. 7718-7721 ◽  
Author(s):  
Paul Adriani ◽  
Yongmei Wang ◽  
Wayne L. Mattice
Keyword(s):  
Monte Carlo ◽  
Block Copolymers ◽  
Monte Carlo Simulations ◽  
Selective Solvent ◽  
Chain Stiffness

Influence of chain stiffness on knottedness in single polymers

2013 ◽  
Vol 41 (2) ◽  
pp. 528-532 ◽  
Author(s):  
Peter Virnau ◽  
Florian C. Rieger ◽  
Daniel Reith
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Present Article ◽  
Polymer Chain ◽  
Model System ◽  
Viral Capsids ◽  
Chain Stiffness ◽  
Single Polymer Chain

In the present article, we investigate and review the influence of chain stiffness on self-entanglements and knots in a single polymer chain with Monte Carlo simulations spanning good solvent, theta and globular phases. The last-named are of particular importance as a model system for DNA in viral capsids. Intriguingly, the dependence of knot occurrence and complexity with increasing stiffness is non-trivial, but can be understood with a few simple concepts outlined in the present article.

Monte Carlo Simulation of Adsorption of Di-Block Copolymers

1988 ◽  
Vol 140 ◽  
Author(s):  
Wan Y. Shih ◽  
Wei-Heng Shill ◽  
Ilhan A. Aksay
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Block Copolymer ◽  
Block Copolymers ◽  
Monte Carlo Simulations ◽  
Degree Of Polymerization ◽  
Radius Of Gyration ◽  
Adsorbed Layers ◽  
Experimental Findings ◽  
Repulsive Forces

AbstractIn this paper we are concerned with the morphology of the polymers adsorbedon surfaces, in particular di-block copolymers. Our work is motivated by the experimental findings of Fladziioannou et al. [1] on the steric forces between two adsorbed layers of di-block poly(vinyl-2-pyridine)\ polystyrene (PV2P\ PS) copolymer on mica surfaces. The PV2P block binds strongly on the mica surfaces and the PS block extends into thesolvent toluene (good solvent for PS). Hadziiouannou et al. found that the repulsive forces between the two surfaces start at a distance 1) larger than 10 times the radius of gyration RG of a free P' in toluene. Furthermore, the starting distance D increases with increasing degree of polymerization N of PS in a fashion I) ~ Na with a close to I. We,tudy the adsorption of di-block copolymer with Monte Carlo simulations. The Monte Carlo simulations are especially powerful in dealing with kinetics which is important in systems where hysteresis is observed II1 and cannot be appropriately taken into account by analytical (or numerical) calculations based onequilibrium assumptions.

Microphase Separation in Sulfonated Block Copolymers Studied by Monte Carlo Simulations

2009 ◽  
Vol 42 (22) ◽  
pp. 8925-8932 ◽  
Author(s):  
P. Knychała ◽  
M. Banaszak ◽  
M. J. Park ◽  
N. P. Balsara
Keyword(s):  
Monte Carlo ◽  
Block Copolymers ◽  
Monte Carlo Simulations ◽  
Microphase Separation

scholarly journals The Persistence Length of Semiflexible Polymers in Lattice Monte Carlo Simulations

Polymers ◽  
2019 ◽  
Vol 11 (2) ◽  
pp. 295 ◽  
Author(s):  
Jing-Zi Zhang ◽  
Xiang-Yao Peng ◽  
Shan Liu ◽  
Bang-Ping Jiang ◽  
Shi-Chen Ji ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Persistence Length ◽  
Semiflexible Polymers ◽  
Lattice Monte Carlo ◽  
Chain Stiffness ◽  
Theoretical Predictions ◽  
Bond Fluctuation ◽  
The Relationship ◽  
Fluctuation Model

While applying computer simulations to study semiflexible polymers, it is a primary task to determine the persistence length that characterizes the chain stiffness. One frequently asked question concerns the relationship between persistence length and the bending constant of applied bending potential. In this paper, theoretical persistence lengths of polymers with two different bending potentials were analyzed and examined by using lattice Monte Carlo simulations. We found that the persistence length was consistent with theoretical predictions only in bond fluctuation model with cosine squared angle potential. The reason for this is that the theoretical persistence length is calculated according to a continuous bond angle, which is discrete in lattice simulations. In lattice simulations, the theoretical persistence length is larger than that in continuous simulations.

Monte Carlo Simulations of a Coarse Grain Model for Block Copolymers and Nanocomposites

2008 ◽  
Vol 41 (13) ◽  
pp. 4989-5001 ◽  
Author(s):  
François A. Detcheverry ◽  
Huiman Kang ◽  
Kostas Ch. Daoulas ◽  
Marcus Müller ◽  
Paul F. Nealey ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Block Copolymers ◽  
Monte Carlo Simulations ◽  
Coarse Grain ◽  
Grain Model
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