Quantum-Chemical Calculation of the Effect of Stress upon Reactions in Polymers
The change of energy barrier of stretched model molecules is calculated using semi-empirical quantum-chemical method MNDO. The reactions studied include hydrogen abstraction from polyolefin chains and hydrolysis of polyamide and polyester molecules. Susceptibility of reactions to strain is evaluated...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Krisyuk, B. E. [verfasserIn] Polianczyk, E. V. [verfasserIn] |
|---|
| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2011 |
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| Übergeordnetes Werk: |
Enthalten in: International journal of polymeric materials - London [u.a.] : Taylor & Francis, 1971, 23(1993), 1-2 vom: 01. Dez., Seite 1-16 |
|---|---|
| Übergeordnetes Werk: |
number:1-2 ; volume:23 ; year:1993 ; month:12 ; day:01 ; pages:1-16 |
| Links: |
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| DOI / URN: |
10.1080/00914039308009654 |
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| 520 | |a The change of energy barrier of stretched model molecules is calculated using semi-empirical quantum-chemical method MNDO. The reactions studied include hydrogen abstraction from polyolefin chains and hydrolysis of polyamide and polyester molecules. Susceptibility of reactions to strain is evaluated. Comparison of calculated results with published experimental data on reactivity of stressed polymers shows that semi-empirical calculations provide reasonable evaluation of stress influence on kinetics of polymer reactions. | ||
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10.1080/00914039308009654 doi (DE-627)NLEJ252420276 (TFO)757181373 DE-627 ger DE-627 rda eng Krisyuk, B. E. verfasserin aut Quantum-Chemical Calculation of the Effect of Stress upon Reactions in Polymers 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The change of energy barrier of stretched model molecules is calculated using semi-empirical quantum-chemical method MNDO. The reactions studied include hydrogen abstraction from polyolefin chains and hydrolysis of polyamide and polyester molecules. Susceptibility of reactions to strain is evaluated. Comparison of calculated results with published experimental data on reactivity of stressed polymers shows that semi-empirical calculations provide reasonable evaluation of stress influence on kinetics of polymer reactions. Polianczyk, E. V. verfasserin aut Enthalten in International journal of polymeric materials London [u.a.] : Taylor & Francis, 1971 23(1993), 1-2 vom: 01. Dez., Seite 1-16 Online-Ressource (DE-627)NLEJ252416457 (DE-600)2045637-2 (DE-576)263254062 1563-535X nnns number:1-2 volume:23 year:1993 month:12 day:01 pages:1-16 https://www.tib.eu/de/suchen/id/tandf%3Abccfe3b833429a819f3e2a4ac82f5c2baba14bd4 Digitalisierung Deutschlandweit zugänglich ZDB-1-TFO GBV_NL_ARTICLE AR 1-2 23 1993 12 01 1-16 |
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10.1080/00914039308009654 doi (DE-627)NLEJ252420276 (TFO)757181373 DE-627 ger DE-627 rda eng Krisyuk, B. E. verfasserin aut Quantum-Chemical Calculation of the Effect of Stress upon Reactions in Polymers 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The change of energy barrier of stretched model molecules is calculated using semi-empirical quantum-chemical method MNDO. The reactions studied include hydrogen abstraction from polyolefin chains and hydrolysis of polyamide and polyester molecules. Susceptibility of reactions to strain is evaluated. Comparison of calculated results with published experimental data on reactivity of stressed polymers shows that semi-empirical calculations provide reasonable evaluation of stress influence on kinetics of polymer reactions. Polianczyk, E. V. verfasserin aut Enthalten in International journal of polymeric materials London [u.a.] : Taylor & Francis, 1971 23(1993), 1-2 vom: 01. Dez., Seite 1-16 Online-Ressource (DE-627)NLEJ252416457 (DE-600)2045637-2 (DE-576)263254062 1563-535X nnns number:1-2 volume:23 year:1993 month:12 day:01 pages:1-16 https://www.tib.eu/de/suchen/id/tandf%3Abccfe3b833429a819f3e2a4ac82f5c2baba14bd4 Digitalisierung Deutschlandweit zugänglich ZDB-1-TFO GBV_NL_ARTICLE AR 1-2 23 1993 12 01 1-16 |
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10.1080/00914039308009654 doi (DE-627)NLEJ252420276 (TFO)757181373 DE-627 ger DE-627 rda eng Krisyuk, B. E. verfasserin aut Quantum-Chemical Calculation of the Effect of Stress upon Reactions in Polymers 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The change of energy barrier of stretched model molecules is calculated using semi-empirical quantum-chemical method MNDO. The reactions studied include hydrogen abstraction from polyolefin chains and hydrolysis of polyamide and polyester molecules. Susceptibility of reactions to strain is evaluated. Comparison of calculated results with published experimental data on reactivity of stressed polymers shows that semi-empirical calculations provide reasonable evaluation of stress influence on kinetics of polymer reactions. Polianczyk, E. V. verfasserin aut Enthalten in International journal of polymeric materials London [u.a.] : Taylor & Francis, 1971 23(1993), 1-2 vom: 01. Dez., Seite 1-16 Online-Ressource (DE-627)NLEJ252416457 (DE-600)2045637-2 (DE-576)263254062 1563-535X nnns number:1-2 volume:23 year:1993 month:12 day:01 pages:1-16 https://www.tib.eu/de/suchen/id/tandf%3Abccfe3b833429a819f3e2a4ac82f5c2baba14bd4 Digitalisierung Deutschlandweit zugänglich ZDB-1-TFO GBV_NL_ARTICLE AR 1-2 23 1993 12 01 1-16 |
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10.1080/00914039308009654 doi (DE-627)NLEJ252420276 (TFO)757181373 DE-627 ger DE-627 rda eng Krisyuk, B. E. verfasserin aut Quantum-Chemical Calculation of the Effect of Stress upon Reactions in Polymers 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The change of energy barrier of stretched model molecules is calculated using semi-empirical quantum-chemical method MNDO. The reactions studied include hydrogen abstraction from polyolefin chains and hydrolysis of polyamide and polyester molecules. Susceptibility of reactions to strain is evaluated. Comparison of calculated results with published experimental data on reactivity of stressed polymers shows that semi-empirical calculations provide reasonable evaluation of stress influence on kinetics of polymer reactions. Polianczyk, E. V. verfasserin aut Enthalten in International journal of polymeric materials London [u.a.] : Taylor & Francis, 1971 23(1993), 1-2 vom: 01. Dez., Seite 1-16 Online-Ressource (DE-627)NLEJ252416457 (DE-600)2045637-2 (DE-576)263254062 1563-535X nnns number:1-2 volume:23 year:1993 month:12 day:01 pages:1-16 https://www.tib.eu/de/suchen/id/tandf%3Abccfe3b833429a819f3e2a4ac82f5c2baba14bd4 Digitalisierung Deutschlandweit zugänglich ZDB-1-TFO GBV_NL_ARTICLE AR 1-2 23 1993 12 01 1-16 |
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10.1080/00914039308009654 doi (DE-627)NLEJ252420276 (TFO)757181373 DE-627 ger DE-627 rda eng Krisyuk, B. E. verfasserin aut Quantum-Chemical Calculation of the Effect of Stress upon Reactions in Polymers 2011 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier The change of energy barrier of stretched model molecules is calculated using semi-empirical quantum-chemical method MNDO. The reactions studied include hydrogen abstraction from polyolefin chains and hydrolysis of polyamide and polyester molecules. Susceptibility of reactions to strain is evaluated. Comparison of calculated results with published experimental data on reactivity of stressed polymers shows that semi-empirical calculations provide reasonable evaluation of stress influence on kinetics of polymer reactions. Polianczyk, E. V. verfasserin aut Enthalten in International journal of polymeric materials London [u.a.] : Taylor & Francis, 1971 23(1993), 1-2 vom: 01. Dez., Seite 1-16 Online-Ressource (DE-627)NLEJ252416457 (DE-600)2045637-2 (DE-576)263254062 1563-535X nnns number:1-2 volume:23 year:1993 month:12 day:01 pages:1-16 https://www.tib.eu/de/suchen/id/tandf%3Abccfe3b833429a819f3e2a4ac82f5c2baba14bd4 Digitalisierung Deutschlandweit zugänglich ZDB-1-TFO GBV_NL_ARTICLE AR 1-2 23 1993 12 01 1-16 |
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The change of energy barrier of stretched model molecules is calculated using semi-empirical quantum-chemical method MNDO. The reactions studied include hydrogen abstraction from polyolefin chains and hydrolysis of polyamide and polyester molecules. Susceptibility of reactions to strain is evaluated. Comparison of calculated results with published experimental data on reactivity of stressed polymers shows that semi-empirical calculations provide reasonable evaluation of stress influence on kinetics of polymer reactions. |
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The change of energy barrier of stretched model molecules is calculated using semi-empirical quantum-chemical method MNDO. The reactions studied include hydrogen abstraction from polyolefin chains and hydrolysis of polyamide and polyester molecules. Susceptibility of reactions to strain is evaluated. Comparison of calculated results with published experimental data on reactivity of stressed polymers shows that semi-empirical calculations provide reasonable evaluation of stress influence on kinetics of polymer reactions. |
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The change of energy barrier of stretched model molecules is calculated using semi-empirical quantum-chemical method MNDO. The reactions studied include hydrogen abstraction from polyolefin chains and hydrolysis of polyamide and polyester molecules. Susceptibility of reactions to strain is evaluated. Comparison of calculated results with published experimental data on reactivity of stressed polymers shows that semi-empirical calculations provide reasonable evaluation of stress influence on kinetics of polymer reactions. |
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