Entropy and free energy of a polymer chain from dynamic Monte Carlo simulations on the lattice. An extension of the statistical counting method

2014 ◽  
Author(s):  
W. Nowicki ◽  
G. Nowicka ◽  
A. Mańka
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Monte Carlo Simulations ◽  
Polymer Chain ◽  
Counting Method ◽  
Dynamic Monte Carlo

Dynamic Monte Carlo study on the polymer chain in random media filled with nanoparticles

Polymer ◽  
2006 ◽  
Vol 47 (8) ◽  
pp. 2928-2932 ◽  
Author(s):  
Jianhua Huang ◽  
Zhaofeng Mao ◽  
Changji Qian
Keyword(s):  
Monte Carlo ◽  
Polymer Chain ◽  
Random Media ◽  
Monte Carlo Study ◽  
Dynamic Monte Carlo

Dynamic Monte Carlo simulations of competition in crystallization of mixed polymers grafted on a substrate

2018 ◽  
Vol 57 (2) ◽  
pp. 89-97 ◽  
Author(s):  
Yijing Nie ◽  
Yong Liu ◽  
Rongjuan Liu ◽  
Zhiping Zhou ◽  
Tongfan Hao
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Dynamic Monte Carlo

One-dimensional nanofiller induced crystallization in random copolymers studied by dynamic Monte Carlo simulations

2018 ◽  
Vol 46 (9) ◽  
pp. 669-677 ◽  
Author(s):  
Rongjuan Liu ◽  
Luyao Yang ◽  
Xiaoyan Qiu ◽  
Haitao Wu ◽  
Yongqiang Zhang ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Random Copolymers ◽  
One Dimensional ◽  
Dynamic Monte Carlo ◽  
Induced Crystallization

scholarly journals Effect of polymer rigidity on the phase behaviour of polymer adsorption on to planar surface

2016 ◽  
Vol 36 (6) ◽  
Author(s):  
Zhiyong Yang ◽  
Aihua Chai ◽  
Peicong Zhou ◽  
Ping Li ◽  
Yongfu Yang
Keyword(s):  
Monte Carlo ◽  
Polymer Chain ◽  
Lattice Model ◽  
Polymer Adsorption ◽  
Surface Interaction ◽  
Phase Behaviour ◽  
Planar Surface ◽  
Bending Energy ◽  
Semiflexible Polymer ◽  
Dynamic Monte Carlo

We study the process of a semiflexible polymer chain adsorption on to planar surface by the dynamic Monte Carlo (DMC) method, based on the 3D off-lattice model. Both the strength of attractive monomer–surface interaction (εa) and bending energy (b) have pronounced effect on the adsorption and shape of semiflexible polymer chain. The semiflexible polymer can just fully adsorb on to the surface at certain εa, which is defined as critical εa. The essential features of the semiflexible polymer adsorption on to surface are that (i) the critical εa increases with increase in b; (ii) the shape of the fully adsorbed semiflexible polymer chain is film-like toroid, and the toroid becomes more and more perfect with increase in b. In addition, the size of toroid and the number of turns of toroid can be controlled by the b and εa.

Sign in / Sign up

Export Citation Format

Share Document