skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Bottlebrush Block Polymers: Quantitative Theory and Experiments

Journal Article · · ACS Nano
; ; ; ; ;  [1]
  1. Department of Chemical Engineering, Department of Physics &, Astronomy, Waterloo Institute for Nanotechnology, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada

The self-assembly of bottlebrush block polymers into a lamellar phase was investigated using a combination of experiment and self-consistent field theory (SCFT). Nine diblock bottlebrush polymers were synthesized with atactic polypropylene side chains (block A) and polystyrene side chains (block B) attached to poly(norbornene) backbones of various contour lengths, L, and the resulting lamellar structures were analyzed using small-angle X-ray scattering. The scaling of the lamellar period, d0 ~ Lγ, exhibited an increasing exponent from γ ≈ 0.3 at small L to γ ≈ 0.9 at large L. The small exponents occurred for starlike molecules where the size of the side chains is comparable to L, while the larger exponents occurred for the more brushlike molecules where the side chains extend radially outward from the backbone. The bottlebrushes were then modeled using flexible side chains of types A and B attached to a semiflexible backbone with an adjustable persistence length, ξb. The resulting SCFT predictions for d0 showed remarkable quantitative agreement with the experimental data, where ξb was similar to the radius of the bottlebrushes. The theory was then used to examine the joint-distribution functions for the position and orientation of different segments along the backbone. This revealed a bilayer arrangement of the bottlebrushes in the lamellar phase, with a high degree of backbone orientation at the A/B interfaces that almost completely vanished near the center of the domains. This finding clearly refutes the prevailing interpretation that the large scaling exponent γ is a result of highly extended backbone conformations.

Research Organization:
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Univ. of Minnesota, Minneapolis, MN (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE Office of Science (SC)
Grant/Contract Number:
CHE-1413862; AC02-06CH11357
OSTI ID:
1225404
Alternate ID(s):
OSTI ID: 1237744; OSTI ID: 1418569
Journal Information:
ACS Nano, Journal Name: ACS Nano Vol. 9 Journal Issue: 12; ISSN 1936-0851
Publisher:
American Chemical Society (ACS)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 128 works
Citation information provided by
Web of Science

References (41)

Tandem Synthesis of Core−Shell Brush Copolymers and Their Transformation to Peripherally Cross-Linked and Hollowed Nanostructures journal May 2006
Cylindrical molecular brushes: Synthesis, characterization, and properties journal July 2008
Improving Brush Polymer Infrared One-Dimensional Photonic Crystals via Linear Polymer Additives journal December 2014
Self-Assembly of Symmetric Brush Diblock Copolymers journal February 2013
On the Self-Assembly of Brush Block Copolymers in Thin Films journal October 2013
Core−Shell Molecular Bottlebrushes with Helical Polypeptide Backbone: Synthesis, Characterization, and Solution Conformations journal March 2011
Fast and accurate SCFT calculations for periodic block-copolymer morphologies using the spectral method with Anderson mixing journal December 2009
Surface Properties of Bottlebrush Polymer Thin Films journal August 2012
The Statistical Mechanical Theory of Stiff Chains journal January 1967
Investigation of the Assembly of Comb Block Copolymers in the Solid State journal October 2008
Phase Behavior of Styrene−Isoprene Diblock Derivatives with Varying Conformational Asymmetry journal April 2000
Synthesis and Polymerization of Norbornenyl-Terminated Multiblock Poly(cyclohexene carbonate)s: A Consecutive Ring-Opening Polymerization Route to Multisegmented Graft Polycarbonates journal September 2012
Connection between Polymer Molecular Weight, Density, Chain Dimensions, and Melt Viscoelastic Properties journal August 1994
Synthesis of Isocyanate-Based Brush Block Copolymers and Their Rapid Self-Assembly to Infrared-Reflecting Photonic Crystals journal August 2012
Large Pore Size Nanoporous Materials from the Self-Assembly of Asymmetric Bottlebrush Block Copolymers journal March 2011
Efficient Synthesis of Narrowly Dispersed Brush Polymers via Living Ring-Opening Metathesis Polymerization of Macromonomers journal June 2009
Well-Defined Polyethylene-Based Random, Block, and Bilayered Molecular Cobrushes journal May 2015
Efficient Synthesis of Narrowly Dispersed Brush Copolymers and Study of Their Assemblies: The Importance of Side Chain Arrangement journal December 2009
Cylindrical nanocapsules from photo-cross-linkable core–shell bottlebrush copolymers journal January 2015
Surfactant-induced lyotropic behavior of flexible polymer solutions journal May 1993
Effect of Dense Grafting on the Backbone Conformation of Bottlebrush Polymers:  Determination of the Persistence Length in Solution journal November 2002
Nanoscopic Cylindrical Dual Concentric and Lengthwise Block Brush Terpolymers as Covalent Preassembled High-Resolution and High-Sensitivity Negative-Tone Photoresist Materials journal March 2013
Main Chain Conformation and Anomalous Elution Behavior of Cylindrical Brushes As Revealed by GPC/MALLS, Light Scattering, and SFM journal April 1999
Correction to Self-Assembly of Symmetric Brush Diblock Copolymers journal June 2015
Facile syntheses of cylindrical molecular brushes by a sequential RAFT and ROMP “grafting-through” methodology journal October 2009
Synthesis of High Molecular Weight Comb Block Copolymers and Their Assembly into Ordered Morphologies in the Solid State journal August 2007
Effect of the side-arm architecture on the conformational properties of bottle brushes journal March 2015
A Practical and Highly Active Ruthenium-Based Catalyst that Effects the Cross Metathesis of Acrylonitrile journal November 2002
Theory of unsymmetric polymer–polymer interfaces journal February 1975
Rapid self-assembly of brush block copolymers to photonic crystals journal August 2012
Synthesis of Polystyrene−Polylactide Bottlebrush Block Copolymers and Their Melt Self-Assembly into Large Domain Nanostructures journal March 2009
Synthesis and Characterization of Model Polyalkane−Poly(ethylene oxide) Block Copolymers journal January 1996
Molecular Bottlebrushes: New Opportunities in Nanomaterials Fabrication journal September 2012
Morphologies of Bottle-Brush Block Copolymers journal October 2014
Computer Simulations of Bottle Brushes: From Melts to Soft Networks journal July 2015
Structure, function, self-assembly, and applications of bottlebrush copolymers journal January 2015
The standard Gaussian model for block copolymer melts journal December 2001
Well-Defined Organic Nanotubes from Multicomponent Bottlebrush Copolymers journal May 2009
Linear Rheology of Polyolefin-Based Bottlebrush Polymers journal June 2015
Stable and unstable phases of a diblock copolymer melt journal April 1994
Melts of semiflexible diblock copolymer journal May 1996