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Prediction of Glass Transition Temperatures for Polystyrenes by a Four-Descriptors QSPR Model

✍ Scribed by Xinliang Yu; Xueye Wang; Xiaobing Li; Jinwei Gao; Hanlu Wang

Book ID: 102495140
Publisher: John Wiley and Sons
Year: 2006
Tongue: English
Weight: 109 KB
Volume: 15
Category: Article
ISSN: 1022-1344
DOI: 10.1002/mats.200500057

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✦ Synopsis

Abstract

Summary: A set of new molecular descriptors, R~SC~, S~MC~, D~HB~ and M~PE~, which are obtained directly from polystyrenes monomer structures, are used to predict the T~g~ values of polystyrenes and generate a QSPR model by multiple linear stepwise regression analysis, with R = 0.959 and s = 15.20 K. Compared with the existing QSPR models, the proposed model requires only four descriptors, which can be obtained by simple calculation and makes it more valuable to predict the T~g~ values of polymers.
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