Drying and mechanics of cellulose gel system

Abstract

Cellulose aerogels are novel materials known for their lightweight, porous structure, offering very low thermal conductivity and a well-developed surface area. Their synthesis based on biowaste-derived cellulose (e.g., hemp fibers), presents a promising, more sustainable alternative to conventional plastics. In this study, the cellulose system has been represented virtually with discrete element method (DEM) extended with bonded particle model (BPM) [1]. The multiaxial compression of the structure enabled final validation of its morphology and pore size distribution. To bridge the gap between nanostructure-scale modeling and macroscopic behavior, the mechanics of macro-scale product – an aerogel bead used as thermal insulation – was simulated. The bead was represented with DEM combined with BPM approach and subjected to uniaxial compression. The mechanical response of the bead was assessed in relation to its size and internal meso-scale homogeneity. The obtained simulation results were validated with experimental data to verify the model’s assumptions and evaluate its reliability in predicting the mechanical response of the final product. This research aligns with the goals of sustainable development by advancing the concept of a biopolymer-based aerogel “digital twin”. It enables predictive material design, reducing reliance on resource and time intensive experimental “trial-and-error” methods. The digital twin is also a step towards optimizing the final product and reducing the environmental footprint by offering an alternative to plastics in applications such as food packaging and filtration.