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Application of Monte Carlo Simulations to Hydrated Nafion Stiffness Predictions

[+] Author Affiliations
Lisa Mauck Weiland

University of Pittsburgh

Emily K. Lada

Statistical and Applied Mathematical Sciences Institute (SAMSI)

Ralph C. Smith

North Carolina State University

Donald J. Leo

Virginia Polytechnic Institute and State University

Paper No. IMECE2005-80396, pp. 183-191; 9 pages
doi:10.1115/IMECE2005-80396
From:
  • ASME 2005 International Mechanical Engineering Congress and Exposition
  • Aerospace
  • Orlando, Florida, USA, November 5 – 11, 2005
  • Conference Sponsors: Aerospace Division
  • ISBN: 0-7918-4210-X | eISBN: 0-7918-3769-6
  • Copyright © 2005 by ASME

abstract

Application of Rotational Isomeric State (RIS) theory to the prediction of Young’s modulus of a solvated ionomer is considered. RIS theory directly addresses polymer chain conformation as it relates to mechanical response trends. Successful adaptation of this methodology to the prediction of elastic moduli would thus provide a powerful tool for guiding ionomer fabrication. The Mark-Curro Monte Carlo methodology is applied to generate a statistically valid number of end-to-end chain lengths via RIS theory for a solvated Nafion case. The distribution of chain lengths is then fitted to a Probability Density Function by the Johnson Bounded distribution method. The fitting parameters, as they relate to the model predictions and physical structure of the polymer, are studied so that a means to extend RIS theory to the reliable prediction of ionomer stiffness may be identified.

Copyright © 2005 by ASME

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