Chain stiffness, salt valency, and concentration influences on titration curves of polyelectrolytes: Monte Carlo simulations

2011 ◽  
Vol 134 (4) ◽  
pp. 044909 ◽  
Author(s):  
Fabrice Carnal ◽  
Serge Stoll
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Chain Stiffness ◽  
Titration Curves

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.

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.

Low-voltage EDS of magnesium ferrite Dendrites in a FEG-SEM

1996 ◽  
Vol 54 ◽  
pp. 478-479
Author(s):  
Matthew T. Johnson ◽  
Ian M. Anderson ◽  
Jim Bentley ◽  
C. Barry Carter
Keyword(s):  
Monte Carlo ◽  
Quantitative Analysis ◽  
Monte Carlo Simulations ◽  
Cross Section ◽  
Spatial Resolution ◽  
Low Voltage ◽  
Magnesium Ferrite ◽  
X Ray ◽  
Interaction Volume ◽  
Ferrite Spinel

Energy-dispersive X-ray spectrometry (EDS) performed at low (≤ 5 kV) accelerating voltages in the SEM has the potential for providing quantitative microanalytical information with a spatial resolution of ∼100 nm. In the present work, EDS analyses were performed on magnesium ferrite spinel [(MgxFe1−x)Fe2O4] dendrites embedded in a MgO matrix, as shown in Fig. 1. spatial resolution of X-ray microanalysis at conventional accelerating voltages is insufficient for the quantitative analysis of these dendrites, which have widths of the order of a few hundred nanometers, without deconvolution of contributions from the MgO matrix. However, Monte Carlo simulations indicate that the interaction volume for MgFe2O4 is ∼150 nm at 3 kV accelerating voltage and therefore sufficient to analyze the dendrites without matrix contributions.Single-crystal {001}-oriented MgO was reacted with hematite (Fe2O3) powder for 6 h at 1450°C in air and furnace cooled. The specimen was then cleaved to expose a clean cross-section suitable for microanalysis.

MONTE CARLO SIMULATIONS OF ELECTRON DRIFT VELOCITIES IN THE NOBLE GASES AND THEIR MIXTURES

1979 ◽  
Vol 40 (C7) ◽  
pp. C7-63-C7-64
Author(s):  
A. J. Davies ◽  
J. Dutton ◽  
C. J. Evans ◽  
A. Goodings ◽  
P.K. Stewart
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Noble Gases ◽  
Electron Drift
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