Monte Carlo Study of Relaxation Modes of a Single Polymer Chain

1997 ◽  
Vol 66 (6) ◽  
pp. 1631-1637 ◽  
Author(s):  
Sachiko Koseki ◽  
Hidetomo Hirao ◽  
Hiroshi Takano
Keyword(s):  
Monte Carlo ◽  
Polymer Chain ◽  
Monte Carlo Study ◽  
Relaxation Modes ◽  
Single Polymer Chain

Motion of a branched polymer chain in confinement: A Monte Carlo study

2006 ◽  
Vol 125 (10) ◽  
pp. 104901 ◽  
Author(s):  
Piotr Romiszowski ◽  
Andrzej Sikorski
Keyword(s):  
Monte Carlo ◽  
Polymer Chain ◽  
Monte Carlo Study ◽  
Branched Polymer

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

Monte Carlo Study on the Statistical Properties of Ising Polymer Chain

2003 ◽  
Vol 17 (22n24) ◽  
pp. 4267-4271 ◽  
Author(s):  
Meng-Bo Luo
Keyword(s):  
Monte Carlo ◽  
Polymer Chain ◽  
Nearest Neighbor ◽  
Spatial Configuration ◽  
Spontaneous Magnetization ◽  
Monte Carlo Study ◽  
Spin Interaction ◽  
Chain Model ◽  
Dynamic Monte Carlo ◽  
Experimental Findings

The configurational and magnetic properties of magnetic polymers are investigated based on an Ising polymer chain model with nearest-neighbor spin-spin interaction on the simple cubic lattice. Dynamic Monte Carlo simulation shows that the model has spontaneous magnetization at low temperature, i.e. the mean-square magnetization <M2> approaches to 1 below the critical temperature Tc. Near Tc, a transition of chain spatial configuration from extended coil to compacted globule is found. A nonlinear magnetization - field curve is observed, in agreement with experimental findings for magnetic polymers.

scholarly journals Monte Carlo Study on Polymer Chain with One End Attached to a Surface

2001 ◽  
Vol 17 (05) ◽  
pp. 422-426
Author(s):  
Luo Meng-Bo ◽  
◽  
Chen Ying-Cai ◽  
Huang Jian-Hua ◽  
Xu Jian-Min
Keyword(s):  
Monte Carlo ◽  
Polymer Chain ◽  
Monte Carlo Study

Simulation of diffusion motion of ionomers using Monte Carlo algorithm

2020 ◽  
Vol 34 (25) ◽  
pp. 2050271
Author(s):  
Kai-Li Xue ◽  
Yun-Feng Hu ◽  
Xu-Chen Yu ◽  
Ji-Xuan Hou
Keyword(s):  
Monte Carlo ◽  
Polymer Chain ◽  
Mean Square Displacement ◽  
Boltzmann Distribution ◽  
Monte Carlo Algorithm ◽  
Theoretical Predictions ◽  
Diffusion Motion ◽  
Simulation Results ◽  
Single Polymer Chain ◽  
Diffusion Function

We present a simple model of ionomers, namely a single polymer chain in a series of fixed attractors. In analogy to ionized bead’s claws of surrounding chains, the set of attractors can affectively slow down the diffusion motion of the target chain. The monomer mean-square displacement of ionomers is studied by using Monte Carlo algorithm, and compared with the prediction of the sticky Rouse model. The diffusion motion properties of ionomers are explored in three aspects, including the chain length of the polymer, the depth of the potential well and the number of ionic groups. The results show that a plateau appears in the monomer diffusion function due to the attraction of the attractors to the claws. However, comparative theoretical predictions and simulation results show that there exists some discrepancy between them. Therefore, the relaxation time distribution of polymer chain motion is explored. The simulation results confirm that the association lifetime is decreasing exponentially, and the expected values of the association lifetime satisfy the Boltzmann distribution as shown by the results. These results perfectly explain the deviation between the simulation data and the theoretical results.

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