Analysis of the model dependence of Monte Carlo results for the relaxation of the end‐to‐end distance of polymer chains

1977 ◽  
Vol 67 (10) ◽  
pp. 4608-4610 ◽  
Author(s):  
Henk Boots ◽  
J. M. Deutch
Keyword(s):  
Monte Carlo ◽  
Polymer Chains ◽  
Model Dependence ◽  
End Distance ◽  
End To End

Direct Measurement of the End-to-End Distance of Individual Polyfluorene Polymer Chains

ChemPhysChem ◽  
2005 ◽  
Vol 6 (11) ◽  
pp. 2286-2294 ◽  
Author(s):  
Benoît Muls ◽  
Hiroshi Uji-i ◽  
Sergey Melnikov ◽  
Alain Moussa ◽  
Wendy Verheijen ◽  
...  
Keyword(s):  
Direct Measurement ◽  
Polymer Chains ◽  
End Distance ◽  
End To End

SELF-ATTRACTING WALK ON NON-UNIFORM SUBSTRATES

2002 ◽  
Vol 16 (12) ◽  
pp. 449-457
Author(s):  
ZHI-JIE TAN ◽  
XIAN-WU ZOU ◽  
WEI ZHANG ◽  
SHENG-YOU HUANG ◽  
ZHUN-ZHI JIN
Keyword(s):  
Monte Carlo ◽  
Random Walk ◽  
Monte Carlo Simulations ◽  
Fractal Dimensions ◽  
Attractive Interaction ◽  
Percolation Clusters ◽  
Small Scales ◽  
End Distance ◽  
The Mean ◽  
End To End

Self-attracting walk (SATW) on non-uniform substrates has been investigated by Monte Carlo simulations. The non-uniform substrates are described by Leath percolation clusters with occupied probability p. p stands for the degree of non-uniformity, and takes on values in the range pc≲p ≤1 where pc is the threshold of percolation. For the case of strong attractive interaction u, p has little influence on the walk which is dominated by attractive interactions. Furthermore, in the case of small scales, the exponent ν of the mean end-to-end distance <R2(t)> versus time t is given by ν≃1/(ds+1), while the exponent k of visited sites versus t is given by k≃ds/(ds+1), where ds are the fractal dimensions of the substrates. For u ≃ 0, the walk reduces to the random walk on percolations with p in pc≲p≤1. Also, ν and k decrease sensitively with the reduction of p. It is found, the blocked sites in the substrates (i.e. defects) have much greater influence on the walk driven by thermal flunctuation than that dominated by the attractive interaction.

Heat conduction in polymer chains with controlled end-to-end distance

2020 ◽  
Vol 153 (16) ◽  
pp. 164903 ◽  
Author(s):  
Mohammadhasan Dinpajooh ◽  
Abraham Nitzan
Keyword(s):  
Heat Conduction ◽  
Polymer Chains ◽  
End Distance ◽  
End To End

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.

Effect of Structural Features on the Statistical Correlation of Dipole Moments on the End-to-End Distance of Polymer Chains

1992 ◽  
Vol 278 ◽  
Author(s):  
Vassilios Galiatsatos
Keyword(s):  
Dipole Moment ◽  
Polymer Chain ◽  
Structural Characteristics ◽  
Dipole Moments ◽  
Structural Features ◽  
Statistical Correlation ◽  
Polymer Chains ◽  
Moment Vector ◽  
End Distance ◽  
End To End

AbstractA recently developed computational methodology allows the quantitative study of the correlation between the end-to-end distance of a polymer chain and its dipole moment. This paper focuses on the further analysis of this correlation and aims in identifying the structural characteristics of the polymer chain that are responsible for the observed behavior of the correlation. We study chains in the independent rotation approximation with symmetric rotational potentials. We focus on two different orientations of the bond dipole moment vector : 010 and 001 (the bond length vector's orientation is [100]).

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