Monte Carlo analysis of ionic polymers with cluster morphology

Lisa Mauck Weiland; Donald J. Leo

doi:10.1117/12.599909

16 May 2005 Monte Carlo analysis of ionic polymers with cluster morphology

Lisa Mauck Weiland, Donald J. Leo

Proceedings Volume 5761, Smart Structures and Materials 2005: Active Materials: Behavior and Mechanics; (2005) https://doi.org/10.1117/12.599909
Event: SPIE Smart Structures and Materials + Nondestructive Evaluation and Health Monitoring, 2005, San Diego, California, United States

Abstract

A computational micromechanics model applying Monte Carlo methodology has been developed to predict the equilibrium state of a single cluster of an ionomeric polymer with cluster morphology. No assumptions are made regarding the distribution of charge or the shape of the cluster. Assuming a constant solvated state, the model tracks the position of individual ions within a given cluster in response to ion-ion interaction, mechanical stiffness of the pendant chain, cluster surface energy, and external electric field loading. Expressions are developed to directly account for forces imposed on ions due to ion-cluster surface interaction. The model is applied to study the impact of counterion size. Predictions suggest that smaller counterions lead to a system which better facilitates ion transport than larger counterions. Results further suggest that, regardless of ion size, ion pairing is rarely complete; this in turn suggests that the classic assumptions will tend to under-predict electromechanical actuation response in general.

Citation Download Citation

Lisa Mauck Weiland and Donald J. Leo "Monte Carlo analysis of ionic polymers with cluster morphology", Proc. SPIE 5761, Smart Structures and Materials 2005: Active Materials: Behavior and Mechanics, (16 May 2005); https://doi.org/10.1117/12.599909

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