scholarly journals Computer simulations of melts of ring polymers with nonconserved topology: A dynamic Monte Carlo lattice model

2021 ◽  
Vol 104 (5) ◽  
Author(s):  
Mattia Alberto Ubertini ◽  
Angelo Rosa
Keyword(s):  
Monte Carlo ◽  
Computer Simulations ◽  
Lattice Model ◽  
Dynamic Monte Carlo ◽  
Ring Polymers

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.

Monte Carlo simulation of a lattice model for the dynamics of randomly branching double-folded ring polymers

2021 ◽  
Vol 104 (1) ◽  
Author(s):  
Elham Ghobadpour ◽  
Max Kolb ◽  
Mohammad Reza Ejtehadi ◽  
Ralf Everaers
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Lattice Model ◽  
Ring Polymers

Simulation of Polymer Crystallization through a Dynamic Monte Carlo Lattice Model

1998 ◽  
Vol 31 (7) ◽  
pp. 2328-2334 ◽  
Author(s):  
Lucio Toma ◽  
Salvatore Toma ◽  
Juan A. Subirana
Keyword(s):  
Monte Carlo ◽  
Lattice Model ◽  
Polymer Crystallization ◽  
Dynamic Monte Carlo

Dynamic Monte Carlo Simulation of thel,l-Lactide Ring-Opening Polymerization

2016 ◽  
Vol 11 (1) ◽  
pp. 1600039 ◽  
Author(s):  
Dimitrios Meimaroglou ◽  
Prokopios Pladis ◽  
Costas Kiparissides
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Ring Opening ◽  
Ring Opening Polymerization ◽  
Dynamic Monte Carlo
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