Monte Carlo Studies of Conformational Characteristics of Block Copolymer Chains in Solution

1976 ◽  
Vol 9 (6) ◽  
pp. 888-891 ◽  
Author(s):  
T. M. Birshtein ◽  
A. M. Skvortsov ◽  
A. A. Sariban
Keyword(s):  
Monte Carlo ◽  
Block Copolymer ◽  
Monte Carlo Studies

Monte carlo studies of phase transitions in polymer blends and block copolymer melts

1994 ◽  
Vol 16 (7) ◽  
pp. 653-660 ◽  
Author(s):  
K. Binder ◽  
H. -P. Deutsch ◽  
M. Müller ◽  
H. Fried ◽  
M. Kikuchi
Keyword(s):  
Monte Carlo ◽  
Phase Transitions ◽  
Block Copolymer ◽  
Polymer Blends ◽  
Monte Carlo Studies ◽  
Copolymer Melts

A Monte Carlo Study of Flexible Polymer Chain Conformations in Restricted Volumes. I. A Model for Insoluble Blocks Conformations in Swollen Cores of Multimolecular Spherical Block Copolymer Micelles

1993 ◽  
Vol 58 (10) ◽  
pp. 2290-2304 ◽  
Author(s):  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Block Copolymer ◽  
Monte Carlo Study ◽  
Volume Effect ◽  
Micellar Systems ◽  
Flexible Polymer ◽  
Block Copolymer Micelles ◽  
Copolymer Micelles ◽  
Chain Conformations ◽  
Chain Lengths

Monte Carlo simulations of chain conformations in a restricted spherical volume at relatively high densities of segments were performed for various numbers of chains, N, and chain lengths (number of segments), L, on a tetrahedral lattice. All chains are randomly end-tethered to the surface of the sphere. A relatively uniform surface density of the tethered ends is guaranteed in our simulations. A simultaneous self-avoiding walk of all chains creates starting conformations for a subsequent equilibration. A modified algorithm similar to that of Siepmann and Frenkel is used for the equilibration of the chain conformations. In this paper, only a geometrical excluded volume effect of segments is considered. Various structural and conformational characteristics, e.g. segment densities gS(r), free end densities gF(r) as functions of the position in the sphere (a distance from the center), distributions of the tethered-to-free end distances, ρTF(rTF), etc. are calculated and their physical meaning is discussed. The model is suitable for studies of chain conformations is swollen cores of multimolecular block copolymer micelles and for interpretation of non-radiative excitation energy migration in polymeric micellar systems.

scholarly journals Monte Carlo studies of pion distributions from heavy ion collisions

1983 ◽  
Vol 27 (2) ◽  
pp. 606-627 ◽  
Author(s):  
Hafez M. A. Radi ◽  
John O. Rasmussen ◽  
Kenneth A. Frankel ◽  
John P. Sullivan ◽  
H. C. Song
Keyword(s):  
Monte Carlo ◽  
Heavy Ion Collisions ◽  
Heavy Ion ◽  
Ion Collisions ◽  
Monte Carlo Studies

Reverse Monte Carlo studies of nanoporous carbon from TiC

2005 ◽  
Vol 17 (23) ◽  
pp. 3509-3524 ◽  
Author(s):  
Per Zetterström ◽  
Sigita Urbonaite ◽  
Fredrik Lindberg ◽  
Robert G Delaplane ◽  
Jaan Leis ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Nanoporous Carbon ◽  
Reverse Monte Carlo ◽  
Monte Carlo Studies

Atomistic Kinetic Monte Carlo studies of microchemical evolutions driven by diffusion processes under irradiation

2010 ◽  
Vol 406 (1) ◽  
pp. 55-67 ◽  
Author(s):  
F. Soisson ◽  
C.S. Becquart ◽  
N. Castin ◽  
C. Domain ◽  
L. Malerba ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Diffusion Processes ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Studies
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