Cellular Automata Modeling of Silica Aerogel Condensation Kinetics
| Autor: | Robert Przewodzki, Jakub M. Gac, Rafał Pakuła, Nina H. Borzęcka, Bartosz Nowak |
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| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Materials science
Polymers and Plastics Science Kinetics silica aerogels Bioengineering General. Including alchemy 02 engineering and technology 010402 general chemistry 01 natural sciences Article Biomaterials Chemical kinetics reaction-limited aggregation QD1-65 condensation kinetics QD1-999 QD146-197 Aggregate (composite) nucleation and growth cellular automata Organic Chemistry Condensation Aerogel 021001 nanoscience & nanotechnology Condensation reaction Cellular automaton 0104 chemical sciences Condensed Matter::Soft Condensed Matter Particle aggregation Chemistry Chemical physics 0210 nano-technology Inorganic chemistry |
| Zdroj: | Gels, Vol 7, Iss 50, p 50 (2021) Gels Volume 7 Issue 2 |
| ISSN: | 2310-2861 |
| Popis: | The formation of silica aerogels and the kinetics of condensation were investigated numerically. The influence of the reaction-limited to the diffusion-limited aggregation (RLA to DLA) transition on the reaction kinetics curves and the evolution of the aggregate size distribution during condensation were examined. The 2D cellular automaton was developed and applied to reflect the process of secondary particle aggregation. Several tendencies were observed due to the adjustment of the model parameters: the probability of condensation reaction and the particles’ concentration. The final wet-gel structures’ visualizations proves that the structure becomes more dense and compact due to entering the RLA regime. The simulation time (associated with the gelation time) decreased along with the increase in both model parameters. The lower the collision probability, the slower reaction becomes, and particles are more likely to penetrate the structure deeper until they finally join the aggregate. The developed model reflects the condensation process’s nature and its mechanisms properly and indicates a significant potential for further aerogel synthesis investigations and for the prediction of wet-gel properties according to condensation parameters. |
| Databáze: | OpenAIRE |
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