Monte Carlo simulation of dendrimers in variable solvent quality

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

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
• Journal: The Journal of Chemical Physics
• Print ISSN: 0021-9606
• 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