Role of molecular structure on the thermodynamic properties of melts, blends, and concentrated polymer solutions: comparison of Monte Carlo simulations with the cluster theory for the lattice model

1990 ◽  
Vol 23 (22) ◽  
pp. 4803-4819 ◽  
Author(s):  
Jacek Dudowicz ◽  
Karl F. Freed ◽  
William G. Madden
Keyword(s):  
Molecular Structure ◽  
Monte Carlo ◽  
Thermodynamic Properties ◽  
Monte Carlo Simulations ◽  
Lattice Model ◽  
Polymer Solutions ◽  
Cluster Theory

Self-assembly of conformationally flexible molecules under 2D confinement: structural analysis from computer simulations

2018 ◽  
Vol 54 (63) ◽  
pp. 8749-8752 ◽  
Author(s):  
Damian Nieckarz ◽  
Paweł Szabelski
Keyword(s):  
Monte Carlo ◽  
Structural Analysis ◽  
Monte Carlo Simulations ◽  
Computer Simulations ◽  
Self Assembly ◽  
Flexible Molecules

Monte Carlo simulations reveal the role of surface conformers in self-assembly on crystalline supports.

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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