Cellular Automata Modeling of Three-Dimensional Chitosan-Based Aerogels Fiberous Structures with Bezier Curves

Polymers (Basel). 2021 Jul 30;13(15):2511. doi: 10.3390/polym13152511.

Abstract

In this work, a cellular automata approach was investigated for modeling three-dimensional fibrous nanoporous aerogel structures. A model for the generation of fibrous structures using the Bezier curves is proposed. Experimental chitosan-based aerogel particles were obtained for which analytical studies of the structural characteristics were carried out. The data obtained were used to generate digital copies of chitosan-based aerogel structures and to assess the accuracy of the developed model. The obtained digital copies of chitosan-based aerogel structures will be used to create digital copies of aerogel structures with embedded active pharmaceutical ingredients (APIs) and further predict the release of APIs from these structures.

Keywords: aerogels; cellular automata; chitosan; fibrous structure; modeling; parallel computing.