Influence of surfactant and molarity on the properties of bacterial cellulose/polyaniline : Experimental and density functional theory
Copyright © 2020 Elsevier Ltd. All rights reserved..
In this work, the structure-property relationship was evaluated in the synthesis of bacterial cellulose (BC)/polyaniline (PANI) nanocomposite aerogels in terms of both experimental and density functional theory (DFT) simulation. The molarity of HCl solution (0.01 and 0.5 M) and the presence/absence of cetyltrimethylammonium bromide (CTAB) were the main parameters of synthesis conditions. DFT simulation showed that the formation of hydrogen bonds governed interaction between BC and PANI, and PANI had more tendency to BC than that of CTAB at 0.5 M. It was confirmed by the formation of shorter hydrogen bonds between BC and protonated PANI at 0.5 M. Regarding this fact, prepared samples at 0.5 M of HCl solution and the presence of CTAB experienced higher storage modulus and electrical conductivity by 2000 Pa and 4 order of magnitude than those of lower molarity (0.01 M). These findings were in accordance with simulation outcomes.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2020 |
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| Erschienen: |
2020 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:250 |
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| Enthalten in: |
Carbohydrate polymers - 250(2020) vom: 15. Dez., Seite 116903 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Hosseini, Hadi [VerfasserIn] |
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| Links: |
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| Themen: |
9004-34-6 |
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| Anmerkungen: |
Date Completed 02.04.2021 Date Revised 02.04.2021 published: Print-Electronic Citation Status MEDLINE |
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| doi: |
10.1016/j.carbpol.2020.116903 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM316194867 |
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| 100 | 1 | |a Hosseini, Hadi |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Influence of surfactant and molarity on the properties of bacterial cellulose/polyaniline |b Experimental and density functional theory |
| 264 | 1 | |c 2020 | |
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| 500 | |a Date Completed 02.04.2021 | ||
| 500 | |a Date Revised 02.04.2021 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status MEDLINE | ||
| 520 | |a Copyright © 2020 Elsevier Ltd. All rights reserved. | ||
| 520 | |a In this work, the structure-property relationship was evaluated in the synthesis of bacterial cellulose (BC)/polyaniline (PANI) nanocomposite aerogels in terms of both experimental and density functional theory (DFT) simulation. The molarity of HCl solution (0.01 and 0.5 M) and the presence/absence of cetyltrimethylammonium bromide (CTAB) were the main parameters of synthesis conditions. DFT simulation showed that the formation of hydrogen bonds governed interaction between BC and PANI, and PANI had more tendency to BC than that of CTAB at 0.5 M. It was confirmed by the formation of shorter hydrogen bonds between BC and protonated PANI at 0.5 M. Regarding this fact, prepared samples at 0.5 M of HCl solution and the presence of CTAB experienced higher storage modulus and electrical conductivity by 2000 Pa and 4 order of magnitude than those of lower molarity (0.01 M). These findings were in accordance with simulation outcomes | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a Bacterial cellulose | |
| 650 | 4 | |a Density functional theory simulation | |
| 650 | 4 | |a Dielectric properties | |
| 650 | 4 | |a Nanocomposite aerogels | |
| 650 | 4 | |a Polyaniline | |
| 650 | 4 | |a Rheology | |
| 650 | 7 | |a Aniline Compounds |2 NLM | |
| 650 | 7 | |a Surface-Active Agents |2 NLM | |
| 650 | 7 | |a polyaniline |2 NLM | |
| 650 | 7 | |a Cellulose |2 NLM | |
| 650 | 7 | |a 9004-34-6 |2 NLM | |
| 700 | 1 | |a Mousavi, Seyyed Mohammad |e verfasserin |4 aut | |
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