Synthesis, characterization (molecular-morphological) and theoretical morphology predictions of linear triblock terpolymers containing poly(cyclohexadiene)

K. Misichronis; S. Rangou; E. Ashcraft; R. Kumar; M. Dadmun; B. G. Sumpter; N. E. Zafeiropoulos; J. W. Mays; A. Avgeropoulos

doi:10.1016/j.polymer.2013.01.005

Synthesis, characterization (molecular-morphological) and theoretical morphology predictions of linear triblock terpolymers containing poly(cyclohexadiene)

K. Misichronis, S. Rangou, E. Ashcraft, R. Kumar, M. Dadmun, B. G. Sumpter, N. E. Zafeiropoulos, J. W. Mays, A. Avgeropoulos

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Abstract

The synthesis via anionic polymerization of six linear triblock terpolymers with various sequences of blocks such as PS (polystyrene), PB [poly(butadiene)], PI [(poly(isoprene)] and PCHD [poly(1,3-cyclohexadiene)] is reported. The synthesis of the terpolymers was carried out by the use of anionic polymerization with high-vacuum techniques and sequential monomer addition. Molecular characterization of the samples was performed via size exclusion chromatography (SEC) and membrane osmometry (MO) to measure the polydispersity indices and the number-average molecular weights, respectively. Proton nuclear magnetic resonance spectroscopy (¹H NMR) was employed to verify the microstructure type for the polydienes, as well as, to calculate the molar composition. Structural characterization of the terpolymers was performed via transmission electron microscopy (TEM) and small angle X-ray scattering (SAXS), and several morphologies were observed including one which has not been reported previously. Real-space self-consistent field theory (SCFT) without a priori knowledge about the symmetry of the periodic structures was used to elucidate the thermodynamics of the synthesized triblock copolymers.

Original language	English
Pages (from-to)	1480-1489
Number of pages	10
Journal	Polymer
Volume	54
Issue number	5
DOIs	https://doi.org/10.1016/j.polymer.2013.01.005
State	Published - Feb 28 2013

Funding

The preparation (casting, annealing, cryomicrotoming) and the TEM characterization of the samples were accomplished in the Department of Materials Science & Engineering of University of Tennessee at Knoxville, TN, USA. The morphological characterization via SAXS was performed in the Leibniz Institute of Polymer Research at Dresden, Germany. JM, MD, and BS acknowledge support from the Division of Materials Science and Engineering (DMSE), U.S. Department of Energy (DoE), Office of Basic Energy Sciences (BES) under Contract No. DEAC05-00OR22725 with UT-Battelle, LLC, at Oak Ridge National Laboratory (ORNL). Computational simulations used resources of the Oak Ridge Leadership Computing Facility at ORNL.

Keywords

Molecular/structural characterization
Self-consistent field theory
Triblock terpolymer synthesis

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10.1016/j.polymer.2013.01.005

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Misichronis, K., Rangou, S., Ashcraft, E., Kumar, R., Dadmun, M., Sumpter, B. G., Zafeiropoulos, N. E., Mays, J. W., & Avgeropoulos, A. (2013). Synthesis, characterization (molecular-morphological) and theoretical morphology predictions of linear triblock terpolymers containing poly(cyclohexadiene). Polymer, 54(5), 1480-1489. https://doi.org/10.1016/j.polymer.2013.01.005

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title = "Synthesis, characterization (molecular-morphological) and theoretical morphology predictions of linear triblock terpolymers containing poly(cyclohexadiene)",

abstract = "The synthesis via anionic polymerization of six linear triblock terpolymers with various sequences of blocks such as PS (polystyrene), PB [poly(butadiene)], PI [(poly(isoprene)] and PCHD [poly(1,3-cyclohexadiene)] is reported. The synthesis of the terpolymers was carried out by the use of anionic polymerization with high-vacuum techniques and sequential monomer addition. Molecular characterization of the samples was performed via size exclusion chromatography (SEC) and membrane osmometry (MO) to measure the polydispersity indices and the number-average molecular weights, respectively. Proton nuclear magnetic resonance spectroscopy (1H NMR) was employed to verify the microstructure type for the polydienes, as well as, to calculate the molar composition. Structural characterization of the terpolymers was performed via transmission electron microscopy (TEM) and small angle X-ray scattering (SAXS), and several morphologies were observed including one which has not been reported previously. Real-space self-consistent field theory (SCFT) without a priori knowledge about the symmetry of the periodic structures was used to elucidate the thermodynamics of the synthesized triblock copolymers.",

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Misichronis, K, Rangou, S, Ashcraft, E, Kumar, R, Dadmun, M, Sumpter, BG, Zafeiropoulos, NE, Mays, JW & Avgeropoulos, A 2013, 'Synthesis, characterization (molecular-morphological) and theoretical morphology predictions of linear triblock terpolymers containing poly(cyclohexadiene)', Polymer, vol. 54, no. 5, pp. 1480-1489. https://doi.org/10.1016/j.polymer.2013.01.005

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AU - Misichronis, K.

AU - Rangou, S.

AU - Ashcraft, E.

AU - Kumar, R.

AU - Dadmun, M.

AU - Sumpter, B. G.

AU - Zafeiropoulos, N. E.

AU - Mays, J. W.

AU - Avgeropoulos, A.

PY - 2013/2/28

Y1 - 2013/2/28

N2 - The synthesis via anionic polymerization of six linear triblock terpolymers with various sequences of blocks such as PS (polystyrene), PB [poly(butadiene)], PI [(poly(isoprene)] and PCHD [poly(1,3-cyclohexadiene)] is reported. The synthesis of the terpolymers was carried out by the use of anionic polymerization with high-vacuum techniques and sequential monomer addition. Molecular characterization of the samples was performed via size exclusion chromatography (SEC) and membrane osmometry (MO) to measure the polydispersity indices and the number-average molecular weights, respectively. Proton nuclear magnetic resonance spectroscopy (1H NMR) was employed to verify the microstructure type for the polydienes, as well as, to calculate the molar composition. Structural characterization of the terpolymers was performed via transmission electron microscopy (TEM) and small angle X-ray scattering (SAXS), and several morphologies were observed including one which has not been reported previously. Real-space self-consistent field theory (SCFT) without a priori knowledge about the symmetry of the periodic structures was used to elucidate the thermodynamics of the synthesized triblock copolymers.

AB - The synthesis via anionic polymerization of six linear triblock terpolymers with various sequences of blocks such as PS (polystyrene), PB [poly(butadiene)], PI [(poly(isoprene)] and PCHD [poly(1,3-cyclohexadiene)] is reported. The synthesis of the terpolymers was carried out by the use of anionic polymerization with high-vacuum techniques and sequential monomer addition. Molecular characterization of the samples was performed via size exclusion chromatography (SEC) and membrane osmometry (MO) to measure the polydispersity indices and the number-average molecular weights, respectively. Proton nuclear magnetic resonance spectroscopy (1H NMR) was employed to verify the microstructure type for the polydienes, as well as, to calculate the molar composition. Structural characterization of the terpolymers was performed via transmission electron microscopy (TEM) and small angle X-ray scattering (SAXS), and several morphologies were observed including one which has not been reported previously. Real-space self-consistent field theory (SCFT) without a priori knowledge about the symmetry of the periodic structures was used to elucidate the thermodynamics of the synthesized triblock copolymers.

KW - Molecular/structural characterization

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Synthesis, characterization (molecular-morphological) and theoretical morphology predictions of linear triblock terpolymers containing poly(cyclohexadiene)

Abstract

Funding

Keywords

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