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

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.

Chitosan Aerogel Particles as Nasal Drug Delivery Systems

“…Supercritical drying is the final stage in the production of chitosan aerogel particles. SCD was carried out in a high-pressure apparatus, similarly to [ 17 , 19 ]. The installation scheme for supercritical drying is shown in Figure 8 .…”

“…The shape of the resulting aerogels can be different, but biopolymer aerogels in the form of particles are the most promising for applications in medicine, tissue and regenerative medicine, pharmaceuticals, and the food industry [ 9 , 10 , 16 , 17 ]. The introduction of active pharmaceutical ingredients (APIs), enzymes, and vitamins into the aerogel matrix makes it possible to produce “aerogel—active substance” compositions for use as drug delivery systems or scaffolds for tissue engineering and wound dressing [ 10 , 17 , 18 , 19 ]. In the study [ 20 ], it was shown that the loading of active substances in aerogel was higher in spherical particles than in monoliths.…”

“…In the study [ 20 ], it was shown that the loading of active substances in aerogel was higher in spherical particles than in monoliths. The use of particulate chitosan aerogels as a hemostatic agent has been investigated [ 17 ]. It was shown that primary hemostasis was achieved in all in vivo experiments on laboratory animals using chitosan aerogel particles.…”

Information-Analytical Software for Developing Digital Models of Porous Structures’ Materials Using a Cellular Automata Approach

“…The calculation block contains a module for modeling porous structures, which contains the main aggregation methods using the cellular automaton approach: diffusionlimited aggregation (DLA), reaction-limited aggregation (RLA), aggregation with a set clusterization centers (multiDLA), diffusion-limited cluster aggregation (DLCA), random walker (RW). In addition, it implements an original cellular automaton fibrous porous structures model based on the Bezier curves [33]. Since there are a large number of different models and methods of porous materials, it seems a promising task to develop a software complex that combines various aggregation methods, a cellular automaton approach for the development of new porous materials, namely, aerogels, an analysis of their properties, and various processes using them.…”

“…The calculation block contains a module for modeling porous structures, which contains the main aggregation methods using the cellular automaton approach: diffusionlimited aggregation (DLA), reaction-limited aggregation (RLA), aggregation with a set clusterization centers (multiDLA), diffusion-limited cluster aggregation (DLCA), random walker (RW). In addition, it implements an original cellular automaton fibrous porous structures model based on the Bezier curves [33]. The calculation block contains a module for modeling porous structures, which contains the main aggregation methods using the cellular automaton approach: diffusionlimited aggregation (DLA), reaction-limited aggregation (RLA), aggregation with a set clusterization centers (multiDLA), diffusion-limited cluster aggregation (DLCA), random walker (RW).…”