Computational design of biopolymer aerogels and predictive modelling of their nanostructure and mechanical behaviour

Abstract To address the challenge of reconstructing or designing three-dimensional microstructure nanoporous materials, we develop a computational approach by combining random closed packing polydisperse spheres together with Laguerre–Voronoi tessellation. Open-porous cellular network structures that adhere to real pore-size distributions materials are generated. As an example, ?-carrageenan aerogels considered. The mechanical structure–property relationships further explored means finite elements. Here show one can predict macroscopic stress–strain curve bulk porous material if only distributions, solid fractions, and Young’s modulus pore-wall fibres known priori. objective such reconstruction predictive modelling is reverse engineer parameters their synthesis process for tailored applications. Structural property predictions proposed shown be in good agreement available experimental data. presented free parameter-fitting capable generating dispersed Voronoi structures.