A Monte Carlo study on the effect of excluded volume interactions on the scattering from block copolymer micelles

2000 ◽  
Vol 112 (21) ◽  
pp. 9661-9670 ◽  
Author(s):  
Carsten Svaneborg ◽  
Jan Skov Pedersen
Keyword(s):  
Monte Carlo ◽  
Block Copolymer ◽  
Monte Carlo Study ◽  
Excluded Volume ◽  
Block Copolymer Micelles ◽  
Copolymer Micelles

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 Insoluble Block Orientations in Swollen Cores of Multimolecular Block Copolymer Micelles

1994 ◽  
Vol 59 (4) ◽  
pp. 803-819 ◽  
Author(s):  
Zuzana Limpouchová ◽  
Karel Procházka
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Study ◽  
Volume Effect ◽  
Distribution Functions ◽  
Excluded Volume Effect ◽  
Block Copolymer Micelles ◽  
Copolymer Micelles ◽  
End To End ◽  
Tethered Chains ◽  
Self Avoiding Walk

Conformations of tethered chains in restricted spherical volumes with an increasing radius were studied by Monte Carlo simulations. Simulations were performed on a tetrahedral lattice at relatively high densities of the occupied lattice sites. A simultaneous self-avoiding walk of all tethered chains creates the starting conformations of the multi-chain system which are futher equilibrated by a modified algorithm similar to that of Siepmann and Frenkel. In this paper, only a geometric excluded volume effect of segments is considered. Selectively chosen series of data for changing numbers of chains, N, their lengths, L, and radii of the sphere, R, give information on the system behavior under various conditions. In this part of our systematic study of tethered chains in constrained volumes, we present angular distribution functions of the end-to-end, end-to-gravity center distances, etc. for system studied in previous paper. The second class of studied conformational characteristics are the distributions of projections of the end-to-end vectors into the selected directions (i.e. the radial direction and the direction of the first-to-second polymer segment connection).

β-lactam Functionalized Poly(isoprene-b-ethylene oxide) Amphiphilic Block Copolymer Micelles as a New Nanocarrier System for Curcumin

2010 ◽  
Vol 6 (3) ◽  
pp. 277-284 ◽  
Author(s):  
Konstantinos Gardikis ◽  
Konstantinos Dimas ◽  
Aristidis Georgopoulos ◽  
Eleni Kaditi ◽  
Stergios Pispas ◽  
...  
Keyword(s):  
Block Copolymer ◽  
Ethylene Oxide ◽  
Amphiphilic Block Copolymer ◽  
Block Copolymer Micelles ◽  
Copolymer Micelles

Donnan Equilibria in Polymeric Micellar Systems with Weak Polyelectrolyte Shells: The Lowering of the pH Value

1997 ◽  
Vol 62 (11) ◽  
pp. 1730-1736 ◽  
Author(s):  
Petr Munk ◽  
Zdeněk Tuzar ◽  
Karel Procházka
Keyword(s):  
Ionic Strength ◽  
Block Copolymer ◽  
Ph Value ◽  
Electrolyte Solutions ◽  
Hydrogen Ions ◽  
Micellar Systems ◽  
Weak Electrolytes ◽  
Block Copolymer Micelles ◽  
Copolymer Micelles ◽  
Polyelectrolyte Solutions

When two electrolyte solutions are separated and only some of the ions can cross the boundary, the concentrations of these ions are different on both sides of the boundary. This is the well-known Donnan effect. When weak electrolytes are involved, the imbalance includes also hydrogen ions: there is a difference of pH across the boundary and the dissociation of nondiffusible weak electrolytes is suppressed. The effect is very pronounced when the concentration of the weak electrolyte is high and ionic strength is low. The significance of this phenomenon is discussed for polyelectrolyte solutions, and particularly for block copolymer micelles with weak polyelectrolyte shells. The effect is quite dramatic in the latter case.

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