Application of Monte Carlo simulations to the prediction of the effective elastic moduli of hydrated Nafion

Lisa Mauck Weiland; Emily K. Lada; Ralph C. Smith; Donald J. Leo

doi:10.1117/12.599932

19 May 2005 Application of Monte Carlo simulations to the prediction of the effective elastic moduli of hydrated Nafion

Lisa Mauck Weiland, Emily K. Lada, Ralph C. Smith, Donald J. Leo

Proceedings Volume 5757, Smart Structures and Materials 2005: Modeling, Signal Processing, and Control; (2005) https://doi.org/10.1117/12.599932
Event: SPIE Smart Structures and Materials + Nondestructive Evaluation and Health Monitoring, 2005, San Diego, California, United States

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.

Citation Download Citation

Lisa Mauck Weiland, Emily K. Lada, Ralph C. Smith, and Donald J. Leo "Application of Monte Carlo simulations to the prediction of the effective elastic moduli of hydrated Nafion", Proc. SPIE 5757, Smart Structures and Materials 2005: Modeling, Signal Processing, and Control, (19 May 2005); https://doi.org/10.1117/12.599932

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