Publication detail

Statistical analysis of macromolecular chains in the space filled by nanoparticles

ŽÍDEK, J. KUČERA, J. JANČÁŘ, J.

Original Title

Type

journal article - other

Language

English

Original Abstract

The paper presents a combination of worm-like chain numerical models and one with a finite set of nano-particles. The primary objective of the models was to analyze the distribution of space in a system filled by particles. Information on the distribution of space was compared to properties of chains inside the set of particles. The set of nanoparticles was constructed with a tool generating a finite set of particles that is randomly distributed in a given space. The particles have a prescribed volume fraction and uniform size. First, the proportions of chains and particles were compared. The length of chain was expressed in terms of end-to-end length. It was then compared to the size of gaps between two particles. The volume of chain was compared to the volume of space delimited by the particles. Next, a set of 10,000 random chains was generated and these were introduced into the particle set. The contact of a chain with the surface of a particle resulted in the special structural elements of the chain: a chain connecting two different particles, a loop which begins and ends at the same particle, a part of a chain which is completely adhered to the particle surface, a chain attached to a particle with one free end, as well as completely free chains. The chains were classified under three classes: chains which were not in contact with particles, chains which were in contact with one particle, and chains which were in contact with two or more particles. A statistical representation of each class is presented. The contact between chain and particle can influence macroscopic properties such as those that are elastic

Keywords

Nanoparticles, worm like chain, structure

Authors

ŽÍDEK, J.; KUČERA, J.; JANČÁŘ, J.

RIV year

2012

Released

1. 9. 2012

ISBN

1546-2218

Periodical

CMC-Computers Materials & Continua

Year of study

Number

State

United States of America

Pages from

213

Pages to

230

Pages count

BibTex

@article{BUT99267,
  author="Jan {Žídek} and Jaroslav {Kučera} and Josef {Jančář}",
  title="Statistical analysis of macromolecular chains in the space filled by nanoparticles",
  journal="CMC-Computers Materials & Continua",
  year="2012",
  volume="28",
  number="3",
  pages="213--230",
  issn="1546-2218"
}