2008
DOI: 10.1021/la703006w
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Computer Simulation of Architectural and Molecular Weight Effects on the Assembly of Amphiphilic Linear−Dendritic Block Copolymers in Solution

Abstract: Langevin dynamics simulations are performed on linear-dendritic diblock copolymers containing beadspring, freely jointed chains composed of hydrophobic linear monomers and hydrophilic dendritic monomers. The critical micelle concentration (CMC), micelle size distribution, and shape are examined as a function of dendron generation and architecture. For diblock copolymers with a linear block of fixed length, it is found that the CMC increases with increasing dendron generation. This trend qualitatively agrees wi… Show more

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Cited by 41 publications
(129 citation statements)
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“…Further, the high flexibility and number of PEG on the exterior of each PDC can promote the dense packing of the polymer chains, which can result in a CMC decrease. 14 All the results presented show that PDC-based micelles are more thermodynamically stable than those formed of linear block copolymers at the same HLBs.…”
mentioning
confidence: 76%
“…Further, the high flexibility and number of PEG on the exterior of each PDC can promote the dense packing of the polymer chains, which can result in a CMC decrease. 14 All the results presented show that PDC-based micelles are more thermodynamically stable than those formed of linear block copolymers at the same HLBs.…”
mentioning
confidence: 76%
“…53 Under the cmt, the entropic effects play a key role, whereas the enthalpic contribution dominates over entropic effects by increasing temperature, which results in the aggregation of copolymers and microphase separation. A new MTDSC based method has been presented here to provide estimates of cmt.…”
Section: Discussionmentioning
confidence: 99%
“…With an increase in polymer concentration above CMC, the residual solvent is excluded from the core; the micellar structure becomes more compact with reduction in the micelle size, and develops into stable structures. The CMC of the polymeric solution and the kind of aggregates the copolymers can form is dependent on the competition between the enthalpic interaction and the entropic effect in the solution [137,138]. Below CMC, the entropic effects dominate over the enthalpic interaction, whereas the enthalpic contributions are dominant over the entropic effects above CMC, which makes the rapid aggregation of copolymers to form aggregates with particular properties.…”
Section: Properties and Characterization Of Micellesmentioning
confidence: 99%