Abstract
In the present Chapter we will present two examples where the molecular description of diffusion is used to obtain mesoscale behavior of a given bulk polymer. In the first example a large molecule (benzene) is considered as permeant molecule within a bulk polymer (Poly vinyl alcohol), in this case the problem to be overcome was to reach the normal diffusion regime, hence a complete random motion of the diffusive molecules within the polymer. In the second example the diffusing molecules are water and the polymer is poly lattic acid, in this case the problem was to model properly the degradation in time observed when this polymer is exposed to water.
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Redaelli, A., Vesentini, S., Gautieri, A., Zunino, P. (2013). Multiscale modeling of diffusion phenomena in polymers. In: Buehler, M.J., Ballarini, R. (eds) Materiomics: Multiscale Mechanics of Biological Materials and Structures. CISM International Centre for Mechanical Sciences, vol 546. Springer, Vienna. https://doi.org/10.1007/978-3-7091-1574-9_4
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DOI: https://doi.org/10.1007/978-3-7091-1574-9_4
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