Influence of regio-irregular structures on thermal behaviour of PVDF
| Autor: | Nasim Anousheh, Armand Soldera |
|---|---|
| Rok vydání: | 2017 |
| Předmět: |
Materials science
Polymers and Plastics Melting temperature Organic Chemistry 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Polyvinylidene fluoride 0104 chemical sciences Crystal Crystallography Molecular dynamics chemistry.chemical_compound chemistry Thermal Materials Chemistry Melting point 0210 nano-technology |
| Zdroj: | Polymer. 125:154-160 |
| ISSN: | 0032-3861 |
| Popis: | Experimentally, there is no consensus to find out which of the α and β crystal phases of polyvinylidene fluoride (PVDF) exhibits the highest melting temperature. To unveil this ambiguity, we use an established procedure based on achieving the Gibbs-Thomson equation from molecular dynamics simulation on pure crystals and crystals containing 10% of regioisomerism defects. The rightness of the protocol is confirmed by the agreement with experimental data. We thus show that in pure crystals, it is the α form that exhibits the highest melting temperature. However, insertion of regioisomerism defects inside crystals influences more the value of the melting point of the α form than for the β crystal. The pure and altered β phase then show the highest melting temperature. This conclusion explains the experimental difficulty on finding which of the α and β crystal forms displays the highest melting temperature, since PVDF samples always contain regioisomerism defects. |
| Databáze: | OpenAIRE |
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