A multiscale model applied to ionic polymer stiffness prediction
| Autor: | Fei Gao, Lisa Mauck Weiland |
|---|---|
| Rok vydání: | 2008 |
| Předmět: |
Work (thermodynamics)
Materials science Mechanical Engineering Monte Carlo method Stiffness Probability density function Condensed Matter Physics Measure (mathematics) Multiscale modeling symbols.namesake Chain (algebraic topology) Mechanics of Materials Boltzmann constant medicine symbols General Materials Science Statistical physics medicine.symptom |
| Zdroj: | Journal of Materials Research. 23:833-841 |
| ISSN: | 2044-5326 0884-2914 |
| Popis: | A multiscale modeling approach applied to the stiffness prediction of polymers with high cross-link density is discussed. The material of focus in this work is the ionic polymer Nafion®. The approach applies rotational isomeric state theory in combination with a Monte Carlo methodology to develop a simulation model for polymer chain conformation. From this a large number of end-to-end chain lengths between cross links are generated; the probability density function of these lengths is estimated with the most appropriate Johnson family method. This estimation is used in a Boltzmann statistical thermodynamics approach to the multiscale prediction of stiffness. This work addresses the importance of the simulated polymer chain length in the generation of stable predictions. The multiscale prediction is found to be physically reasonable; the approach has the potential of serving as a first-order prediction tool for properties that are experimentally difficult or impossible to measure. |
| Databáze: | OpenAIRE |
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