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Updated: Dec 5, 2025
Self-assembling Morphologies Obtained from Helical Polycarbodiimide Copolymers and Their Triazole Derivatives
Published on: February 7, 2017
A Cellular Automata Approach for the Modeling of a Polyamide and Carbon Aerogel Structure and Its Properties
Natalia Menshutina1, Igor Lebedev1, Evgeniy Lebedev1
1International Science and Education Center for Transfer of Biopharmaceutical Technologies, Mendeleev University of Chemical Technology of Russia, Moscow 125047, Russia.
Abstract:
In this work, a cellular automata (CA) approach was used to generate 3D structures of polyamide and carbon aerogels. Experimental results are used as initial data for materials' digital representations and to verify the developed CA models. Based on the generated digital structures, a computer study of aerogels' mechanical properties was conducted. The offered CA models can be applied for the development of new nanoporous materials such as aerogels of different nature and allow for a reduction in the amount of required full-scale experiments, consequently decreasing development time and costs of new material formulations.
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