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Concentration Dependence of the Size and Symmetry of a Bottlebrush Polymer in a Good Solvent

Sunday, Daniel F. and Chremos, Alexandros and Martin, Tyler B. and Chang, Alice B. and Burns, Adam B. and Grubbs, Robert H. (2020) Concentration Dependence of the Size and Symmetry of a Bottlebrush Polymer in a Good Solvent. Macromolecules, 53 (16). pp. 7132-7140. ISSN 0024-9297. PMCID PMC8194097. doi:10.1021/acs.macromol.0c01181.

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Bottlebrush polymers consist of a linear backbone with densely grafted side chains which impact the rigidity of the molecule. The persistence length of the bottlebrush backbone in solution is influenced by both the intrinsic structure of the polymer and the local environment, such as the solvent quality and concentration. Increasing the concentration reduces the overall size of the molecule because of the reduction in backbone stiffness. In this study, we map out the size of a bottlebrush polymer as a function of concentration for a single backbone length. Small-angle neutron scattering measurements are conducted on a polynorbornene-based bottlebrush with polystyrene side chains in a good solvent. The data are fit using a model which provides both the long and short axis radius of gyration (R_(g,2) and R_(g,1), respectively), providing a measure for how the conformation changes as a function of concentration. At low concentrations, a highly anisotropic structure is observed (R_(g,2)/R_(g,1) ≈ 4), becoming more isotropic at higher concentrations (R_(g,2)/R_(g,1) ≈ 1.5). The concentration scaling for both R_(g,2) and the overall Rg is evaluated and compared with predictions in the literature. Coarse-grained molecular dynamics simulations were also conducted to probe the impact of concentration on bottlebrush conformation, showing qualitative agreement with the experimental results.

Item Type:Article
Related URLs:
URLURL TypeDescription CentralArticle
Sunday, Daniel F.0000-0002-6840-535X
Chremos, Alexandros0000-0002-1254-3972
Martin, Tyler B.0000-0001-7253-6507
Chang, Alice B.0000-0001-5036-2681
Burns, Adam B.0000-0002-4093-8939
Grubbs, Robert H.0000-0002-0057-7817
Additional Information:© 2020 American Chemical Society. Received: May 19, 2020; Revised: July 11, 2020; Published: August 7, 2020. This work benefited from the use of the SasView application, originally developed under NSF award DMR-0520547. SasView contains code developed with funding from the European Union’s Horizon 2020 research and innovation programme under the SINE2020 project, grant agreement no 654000. A.B.B. acknowledges support from the National Research Council Research Associateship Program. The authors acknowledge the nSoft consortium for providing access to the NGB 10m SANS instrument. The authors declare no competing financial interest.
Funding AgencyGrant Number
European Research Council (ERC)654000
National Research CouncilUNSPECIFIED
Subject Keywords:Polymer solutions, Scattering, Chemical structure, Solvents, Polymers
Issue or Number:16
PubMed Central ID:PMC8194097
Record Number:CaltechAUTHORS:20200807-090348588
Persistent URL:
Official Citation:Concentration Dependence of the Size and Symmetry of a Bottlebrush Polymer in a Good Solvent. Daniel F. Sunday, Alexandros Chremos, Tyler B. Martin, Alice B. Chang, Adam B. Burns, and Robert H. Grubbs. Macromolecules 2020 53 (16), 7132-7140; DOI: 10.1021/acs.macromol.0c01181
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:104814
Deposited By: George Porter
Deposited On:10 Aug 2020 15:20
Last Modified:16 Nov 2021 18:35

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