Monte Carlo study of block copolymer adsorption from dilute solutions

1993 ◽  
Vol 48 (6) ◽  
pp. 4622-4631 ◽  
Author(s):  
Wei Wang ◽  
Z.-Z. Lin ◽  
C. Ebner ◽  
Yvonne Nikas
Keyword(s):  
Monte Carlo ◽  
Block Copolymer ◽  
Monte Carlo Study ◽  
Dilute Solutions

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.

A Monte Carlo Study of Copolymer Chain Conformations in Dilute Solutions in Good and Selective Solvents

1995 ◽  
Vol 60 (5) ◽  
pp. 736-750
Author(s):  
Tereza Vrbová ◽  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Diblock Copolymers ◽  
Structural Characteristics ◽  
Monte Carlo Study ◽  
Dilute Solutions ◽  
Copolymer Chain ◽  
Selective Solvents ◽  
Nearest Neighbours ◽  
Lattice Distance ◽  
Chain Conformations

Conformations of symmetric diblock copolymers AB in dilute solutions in good and selective solvents were studied by Monte Carlo simulations on a simple cubic lattice. Individual chain conformations were created by the self-avoiding walk algorithm. A modified thermal equilibration of the system based on the Metropolis acceptance criteria for energies of the system and the Rosenbluth weights of chain conformations was applied. Interactions of the nearest neighbours (r = l), where l is the lattice distance, and interactions for r = sqrt(2l) and r = sqrt(3l) were considered. Various structural characteristics of the whole copolymer chain and individual blocks A, B were obtained in the course of computer simulations. It was found that a moderate contraction of the worse soluble block B and a certain segregation of blocks occurs in dilute solutions in selective solvents for the block A, however neither that contraction, nor the segregation of blocks are extensive.

Block copolymer films between neutral walls: A Monte Carlo study

1999 ◽  
Vol 111 (8) ◽  
pp. 3728-3732 ◽  
Author(s):  
Jens-Uwe Sommer ◽  
Alexander Hoffmann ◽  
Alexander Blumen
Keyword(s):  
Monte Carlo ◽  
Block Copolymer ◽  
Monte Carlo Study ◽  
Copolymer Films

Monte Carlo study of polymer adsorption from dilute solutions

1993 ◽  
Vol 48 (2) ◽  
pp. 1246-1253 ◽  
Author(s):  
Z.-Z. Lin ◽  
Wei Wang ◽  
C. Ebner ◽  
Yvonne Nikas
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Study ◽  
Polymer Adsorption ◽  
Dilute Solutions
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