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Nanophase Segregation and Water Dynamics in the Dendrion Diblock Copolymer Formed from the Fréchet Polyaryl Ethereal Dendrimer and Linear PTFE

Jang, Seung Soon and Lin, Shiang-Tai and Çağin, Tahir and Molinero, Valeria and Goddard, William A., III (2005) Nanophase Segregation and Water Dynamics in the Dendrion Diblock Copolymer Formed from the Fréchet Polyaryl Ethereal Dendrimer and Linear PTFE. Journal of Physical Chemistry B, 109 (20). pp. 10154-10167. ISSN 1520-6106. http://resolver.caltech.edu/CaltechAUTHORS:20170408-143830130

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Abstract

We propose a new material consisting of a dendrion copolymer formed from (a) a water-soluble dendritic polymer and (b) a hydrophobic backbone. Using molecular dynamics simulations techniques, we determine the structure and dynamics of the dendrion formed by second-generation Fréchet polyaryl ethereal dendrimer as the hydrophilic component and linear polytetrafluoroethylene (PTFE) as the hydrophobic polymer, with 5 and 10 wt % of water. We find that this material produces a well-developed nanoscale structure in which water forms a continuous nanophase, making this new family of compounds promising candidates for applications in fuel cell membranes. We find that the water molecules are incorporated into the dendrimer block of the copolymer to form a nanophase-segregated structure. The well-developed nanophase-segregated structures rendered by this material have characteristic dimensions of segregation (∼30 Å) and dendrimer conformational properties that are independent of water content. Calculations of water dynamics and proton transport in these nanophase-segregated structures indicate that the dendrion copolymer membrane with 10 wt % of water content has a water structure and transport properties equivalent to that of the hydrated Nafion membrane with 20 wt % of water content.


Item Type:Article
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URLURL TypeDescription
http://dx.doi.org/10.1021/jp050125wDOIArticle
ORCID:
AuthorORCID
Çağin, Tahir0000-0002-3665-0932
Goddard, William A., III0000-0003-0097-5716
Additional Information:© 2005 American Chemical Society. Received: January 7, 2005; In Final Form: March 31, 2005. We thank Dr. Gerald Voecks of General Motors for many helpful discussions. The facilities of the Materials and Process Simulation Center used for these studies are supported by DURIP-ARO, DURIP-ONR, IBM-SUR, and NSF (MRI), and other support for the MSC comes from MURI-ARO, MURI-ONR, DOE, ONR, NSF-CSEM, NIH, General Motors, Chevron-Texaco, Seiko-Epson, Beckman Institute, and Asahi Kasei.
Funders:
Funding AgencyGrant Number
Army Research Office (ARO)UNSPECIFIED
Office of Naval Research (ONR)UNSPECIFIED
IBMUNSPECIFIED
NSFUNSPECIFIED
Department of Energy (DOE)UNSPECIFIED
NIHUNSPECIFIED
General MotorsUNSPECIFIED
Chevron-TexacoUNSPECIFIED
Seiko-EpsonUNSPECIFIED
Caltech Beckman InstituteUNSPECIFIED
Asahi KaseiUNSPECIFIED
Record Number:CaltechAUTHORS:20170408-143830130
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:20170408-143830130
Official Citation:Nanophase Segregation and Water Dynamics in the Dendrion Diblock Copolymer Formed from the Fréchet Polyaryl Ethereal Dendrimer and Linear PTFE Seung Soon Jang, Shiang-Tai Lin, Tahir Çaǧın, Valeria Molinero, and William A. Goddard III The Journal of Physical Chemistry B 2005 109 (20), 10154-10167 DOI: 10.1021/jp050125w
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:75981
Collection:CaltechAUTHORS
Deposited By: 1Science Import
Deposited On:26 Apr 2017 20:58
Last Modified:26 Apr 2017 20:58

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