Topological coarse graining of polymer chains using wavelet-accelerated Monte Carlo. I. Freely jointed chains

2005 ◽  
Vol 122 (23) ◽  
pp. 234901 ◽  
Author(s):  
Ahmed E. Ismail ◽  
Gregory C. Rutledge ◽  
George Stephanopoulos
Keyword(s):  
Monte Carlo ◽  
Coarse Graining ◽  
Polymer Chains ◽  
Freely Jointed Chains

Topological coarse graining of polymer chains using wavelet-accelerated Monte Carlo. II. Self-avoiding chains

2005 ◽  
Vol 122 (23) ◽  
pp. 234902 ◽  
Author(s):  
Ahmed E. Ismail ◽  
George Stephanopoulos ◽  
Gregory C. Rutledge
Keyword(s):  
Monte Carlo ◽  
Coarse Graining ◽  
Polymer Chains

First steps toward the construction of a hyperphase diagram that covers different classes of short polymer chains

Open Physics ◽  
2014 ◽  
Vol 12 (6) ◽  
Author(s):  
Sid Sabeur
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Study ◽  
Polymer Chains ◽  
Crystalline Structures ◽  
Thermodynamic Behavior

AbstractWe present the results of a multicanonical Monte Carlo study of flexible and wormlike polymer chains, where we investigate how the polymer structures observed during the simulations, mainly coil, liquid, and crystalline structures, can help to construct a hyperphase diagram that covers different polymer classes according to their thermodynamic behavior.

Phase transitions of single polymer chains and of polymer solutions: insights from Monte Carlo simulations

2008 ◽  
Vol 20 (49) ◽  
pp. 494215 ◽  
Author(s):  
K Binder ◽  
W Paul ◽  
T Strauch ◽  
F Rampf ◽  
V Ivanov ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Phase Transitions ◽  
Monte Carlo Simulations ◽  
Polymer Solutions ◽  
Polymer Chains
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