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Monte Carlo simulation of dendrimers in variable solvent quality

Giupponi, G.; Buzza, D. M. A.

Authors

G. Giupponi



Abstract

The properties of g=1-6 dendrimers in variable solvent quality were studied using Monte Carlo simulation and Flory theory. It was found that the radius of gyration (Rg collapses significantly while going from athermal to extreme poor solvent conditions, which indicated that varying solvent quality is an effected means of controlling dendrimer size. It was also found that in athermal, θ, and extreme poor solvent conditions, the radius of gyration of dendrimers scales with the total number of monomers roughly as R g∼N1÷3. The study showed that under all solvent conditions, the intramolecular density is dense corelike while the terminal groups are delocalized throughout the dendrimer.

Citation

Giupponi, G., & Buzza, D. M. A. (2004). Monte Carlo simulation of dendrimers in variable solvent quality. The Journal of chemical physics, 120(21), 10290-10298. https://doi.org/10.1063/1.1714829

Journal Article Type Article
Acceptance Date Mar 2, 2004
Publication Date Jun 1, 2004
Deposit Date Jul 11, 2018
Publicly Available Date Mar 28, 2024
Journal The Journal of Chemical Physics
Print ISSN 0021-9606
Electronic ISSN 1089-7690
Publisher American Institute of Physics
Peer Reviewed Peer Reviewed
Volume 120
Issue 21
Pages 10290-10298
DOI https://doi.org/10.1063/1.1714829
Public URL https://hull-repository.worktribe.com/output/923060
Publisher URL https://aip.scitation.org/doi/10.1063/1.1714829