Theoretical Study on the Thermal Degradation Process of Nylon 6 and Polyhydroxybutyrate
This work presents the study of the thermal degradation process of two selected polymers: nylon 6 and polyhydroxybutyrate (PHB), representatives of polyamides and polyesters, frequently used nowadays. It is extremely important to specify optimal conditions that would allow a non-toxic and fast repro...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-10-01
|
| Series: | Physchem |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-7167/2/4/24 |
| _version_ | 1797455674833108992 |
|---|---|
| author | Yuliia Didovets Mateusz Z. Brela |
| author_facet | Yuliia Didovets Mateusz Z. Brela |
| author_sort | Yuliia Didovets |
| collection | DOAJ |
| description | This work presents the study of the thermal degradation process of two selected polymers: nylon 6 and polyhydroxybutyrate (PHB), representatives of polyamides and polyesters, frequently used nowadays. It is extremely important to specify optimal conditions that would allow a non-toxic and fast reprocessing of polymers in the plastic industry. The Density Functional Theory (DFT) method and a set of various computational details were applied to investigate the influence of the solvent presence and the rise of temperature on the thermodynamics of the degradation process. Obtained results were compared for both of the studied polymers, highlighting observed similarities. External conditions leading to the spontaneity of the nylon 6 thermal degradation process have been estimated. The results described in this paper can be useful in future research works investigating biodegradation conditions of the studied polymers. |
| first_indexed | 2024-03-09T15:57:42Z |
| format | Article |
| id | doaj.art-b75b40cbdc8c4512be4d17e398536efc |
| institution | Directory Open Access Journal |
| issn | 2673-7167 |
| language | English |
| last_indexed | 2024-03-09T15:57:42Z |
| publishDate | 2022-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Physchem |
| spelling | doaj.art-b75b40cbdc8c4512be4d17e398536efc2023-11-24T17:26:19ZengMDPI AGPhyschem2673-71672022-10-012433434610.3390/physchem2040024Theoretical Study on the Thermal Degradation Process of Nylon 6 and PolyhydroxybutyrateYuliia Didovets0Mateusz Z. Brela1Faculty of Chemistry, Jagiellonian University, Gronostajowa 2, 30-387 Cracow, PolandFaculty of Chemistry, Jagiellonian University, Gronostajowa 2, 30-387 Cracow, PolandThis work presents the study of the thermal degradation process of two selected polymers: nylon 6 and polyhydroxybutyrate (PHB), representatives of polyamides and polyesters, frequently used nowadays. It is extremely important to specify optimal conditions that would allow a non-toxic and fast reprocessing of polymers in the plastic industry. The Density Functional Theory (DFT) method and a set of various computational details were applied to investigate the influence of the solvent presence and the rise of temperature on the thermodynamics of the degradation process. Obtained results were compared for both of the studied polymers, highlighting observed similarities. External conditions leading to the spontaneity of the nylon 6 thermal degradation process have been estimated. The results described in this paper can be useful in future research works investigating biodegradation conditions of the studied polymers.https://www.mdpi.com/2673-7167/2/4/24DFTnylon 6PHBdegradation process |
| spellingShingle | Yuliia Didovets Mateusz Z. Brela Theoretical Study on the Thermal Degradation Process of Nylon 6 and Polyhydroxybutyrate Physchem DFT nylon 6 PHB degradation process |
| title | Theoretical Study on the Thermal Degradation Process of Nylon 6 and Polyhydroxybutyrate |
| title_full | Theoretical Study on the Thermal Degradation Process of Nylon 6 and Polyhydroxybutyrate |
| title_fullStr | Theoretical Study on the Thermal Degradation Process of Nylon 6 and Polyhydroxybutyrate |
| title_full_unstemmed | Theoretical Study on the Thermal Degradation Process of Nylon 6 and Polyhydroxybutyrate |
| title_short | Theoretical Study on the Thermal Degradation Process of Nylon 6 and Polyhydroxybutyrate |
| title_sort | theoretical study on the thermal degradation process of nylon 6 and polyhydroxybutyrate |
| topic | DFT nylon 6 PHB degradation process |
| url | https://www.mdpi.com/2673-7167/2/4/24 |
| work_keys_str_mv | AT yuliiadidovets theoreticalstudyonthethermaldegradationprocessofnylon6andpolyhydroxybutyrate AT mateuszzbrela theoreticalstudyonthethermaldegradationprocessofnylon6andpolyhydroxybutyrate |