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Molecular modeling of temperature dependence of solubility parameters for amorphous polymers
A molecular modeling strategy is proposed to describe the temperature (T) dependence of solubility parameter (δ) for the amorphous polymers which exhibit glass-rubber transition behavior. The commercial forcefield “COMPASS” is used to support the atomistic simulations of the polymer. The temperature...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Language: | Inglês |
| Published: |
Springer-Verlag
2011
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3360869/ https://ncbi.nlm.nih.gov/pubmed/21975540 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-011-1249-3 |
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