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Proceedings Paper

Application of Monte Carlo simulations to the prediction of the effective elastic moduli of hydrated Nafion
Author(s): Lisa Mauck Weiland; Emily K. Lada; Ralph C. Smith; Donald J. Leo
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Paper 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.

Paper Details

Date Published: 19 May 2005
PDF: 12 pages
Proc. SPIE 5757, Smart Structures and Materials 2005: Modeling, Signal Processing, and Control, (19 May 2005); doi: 10.1117/12.599932
Show Author Affiliations
Lisa Mauck Weiland, Univ. of Pittsburgh (United States)
Emily K. Lada, Statistical and Applied Mathematical Sciences Institute (United States)
Ralph C. Smith, North Carolina State Univ. (United States)
Donald J. Leo, Virginia Polytechnic Institute and State Univ. (United States)


Published in SPIE Proceedings Vol. 5757:
Smart Structures and Materials 2005: Modeling, Signal Processing, and Control
Ralph C. Smith, Editor(s)

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