A Cellular Automata Approach for the Modeling of a Polyamide and Carbon Aerogel Structure and Its Properties

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...

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Main Authors: Natalia Menshutina, Igor Lebedev, Evgeniy Lebedev, Patrina Paraskevopoulou, Despoina Chriti, Igor Mitrofanov
Format: Article
Language:English
Published: MDPI AG 2020-10-01
Series:Gels
Subjects:
Online Access:https://www.mdpi.com/2310-2861/6/4/35
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spelling doaj-55dc730fafa94ab29c9d6792d2fd29752020-11-25T03:41:50ZengMDPI AGGels2310-28612020-10-016353510.3390/gels6040035A Cellular Automata Approach for the Modeling of a Polyamide and Carbon Aerogel Structure and Its PropertiesNatalia Menshutina0Igor Lebedev1Evgeniy Lebedev2Patrina Paraskevopoulou3Despoina Chriti4Igor Mitrofanov5International Science and Education Center for Transfer of Biopharmaceutical Technologies, Mendeleev University of Chemical Technology of Russia, Moscow 125047, RussiaInternational Science and Education Center for Transfer of Biopharmaceutical Technologies, Mendeleev University of Chemical Technology of Russia, Moscow 125047, RussiaInternational Science and Education Center for Transfer of Biopharmaceutical Technologies, Mendeleev University of Chemical Technology of Russia, Moscow 125047, RussiaInorganic Chemistry Laboratory, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, GreeceInorganic Chemistry Laboratory, Department of Chemistry, National and Kapodistrian University of Athens, 15771 Athens, GreeceInternational Science and Education Center for Transfer of Biopharmaceutical Technologies, Mendeleev University of Chemical Technology of Russia, Moscow 125047, RussiaIn 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.https://www.mdpi.com/2310-2861/6/4/35modelingaerogelsdiffusion-limited cluster aggregationcellular automataYoung’s moduluspolyamide aerogels
collection DOAJ
language English
format Article
sources DOAJ
author Natalia Menshutina
Igor Lebedev
Evgeniy Lebedev
Patrina Paraskevopoulou
Despoina Chriti
Igor Mitrofanov
spellingShingle Natalia Menshutina
Igor Lebedev
Evgeniy Lebedev
Patrina Paraskevopoulou
Despoina Chriti
Igor Mitrofanov
A Cellular Automata Approach for the Modeling of a Polyamide and Carbon Aerogel Structure and Its Properties
Gels
modeling
aerogels
diffusion-limited cluster aggregation
cellular automata
Young’s modulus
polyamide aerogels
author_facet Natalia Menshutina
Igor Lebedev
Evgeniy Lebedev
Patrina Paraskevopoulou
Despoina Chriti
Igor Mitrofanov
author_sort Natalia Menshutina
title A Cellular Automata Approach for the Modeling of a Polyamide and Carbon Aerogel Structure and Its Properties
title_short A Cellular Automata Approach for the Modeling of a Polyamide and Carbon Aerogel Structure and Its Properties
title_full A Cellular Automata Approach for the Modeling of a Polyamide and Carbon Aerogel Structure and Its Properties
title_fullStr A Cellular Automata Approach for the Modeling of a Polyamide and Carbon Aerogel Structure and Its Properties
title_full_unstemmed A Cellular Automata Approach for the Modeling of a Polyamide and Carbon Aerogel Structure and Its Properties
title_sort cellular automata approach for the modeling of a polyamide and carbon aerogel structure and its properties
publisher MDPI AG
series Gels
issn 2310-2861
publishDate 2020-10-01
description 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.
topic modeling
aerogels
diffusion-limited cluster aggregation
cellular automata
Young’s modulus
polyamide aerogels
url https://www.mdpi.com/2310-2861/6/4/35
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