Elasticity and Dynamics of Elastomeric Epoxy Networks: Comparing Simulations and Experiments at High Frequency

TL;DR

This paper compares simulated and experimental elastic properties of epoxy networks at high frequencies, showing good agreement with real-world measurements.

Contribution

The study bridges atomistic and macroscopic scales by validating simulations with experimental Brillouin light scattering data.

Findings

Simulation results align with experimental values for C11 and glass transition temperatures.

The study validates the use of simulations for predicting elastic constants in epoxy networks.

Findings support the application of Brillouin light scattering on soft systems.

Abstract

This study investigates
the elastic and dynamic properties of elastomeric,
stoichiometric epoxy networks formed between the telechelic functionalized
poly­(ethylene glycol) diglycidyl ether (PEGDE) and the linear cross-linker
1,4-diaminobutane across a range of extensional strain rates (107 to 1010 s–1), molar masses (n = 3, 5, 8 repeat units), and two reaction extents determining
degree of cross-linking through atomistic simulations and compares
them with the experimental n = 8 system. Investigated
properties are Young’s and shear moduli, the C
11 elastic constant, the glass transition temperature,
and the network’s mean-squared-displacement. Results reveal
a notable agreement between simulation-obtained and experimental values
of C
11 and its experimentally determined
Brillouin light scattering (BLS) value and glass transition temperatures,
bridging the gap between atomistic and macroscopic length scales.
This work contributes to the renewed interest of BLS applied on soft
systems and lays the groundwork for computational investigations of
complex epoxy architectures, such as dual networks with epoxy covalent
and noncovalent bonds.

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