Micellization behavior of π-shaped copolymers in a selective solvent: A Brownian dynamics simulation approach

2003 ◽  
Vol 119 (11) ◽  
pp. 5705-5710 ◽  
Author(s):  
Kwang Hee Kim ◽  
Seung Hyun Kim ◽  
June Huh ◽  
Won Ho Jo
Keyword(s):  
Brownian Dynamics ◽  
Dynamics Simulation ◽  
Simulation Approach ◽  
Brownian Dynamics Simulation ◽  
Selective Solvent ◽  
Micellization Behavior

Multi-Block Copolymers in Selective Solvent: A Brownian Dynamics Simulation

2004 ◽  
Vol 856 ◽  
Author(s):  
Yongsheng Liu ◽  
Huifen Nie ◽  
Rama Bansil ◽  
Zhenli Zhang ◽  
Sharon Glotzer
Keyword(s):  
Brownian Dynamics ◽  
Volume Fraction ◽  
Dynamics Simulation ◽  
Multiblock Copolymers ◽  
Brownian Dynamics Simulation ◽  
Selective Solvent ◽  
Bcc Lattice ◽  
Dynamics Simulations ◽  
Brownian Dynamics Simulations ◽  
Poor Solvent

ABSTRACTWe performed Brownian Dynamics simulations of multiblock copolymers of A and B polymers in a solvent selective for the A block at a volume fraction of 20%. Tri-, penta- and heptabocks were simulated. Fourier transformation reveals micellar clusters arranged in a BCC lattice, in agreement with scattering experiments. The clusters were analyzed using a percolation approach and we observed larger clusters when the outermost block was in the poor solvent condition. The ratio of number of loops to bridges decreases as the number of blocks in the copolymer increases, as does the polydispersity. Increased penalty of looping as the number of blocks increases leads to a larger number of smaller clusters with more bridges.

Brownian dynamics simulation of diffusion‐influenced bimolecular reactions

1984 ◽  
Vol 80 (4) ◽  
pp. 1517-1524 ◽  
Author(s):  
Scott H. Northrup ◽  
Stuart A. Allison ◽  
J. Andrew McCammon
Keyword(s):  
Brownian Dynamics ◽  
Dynamics Simulation ◽  
Brownian Dynamics Simulation ◽  
Bimolecular Reactions
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