...
首页> 外文期刊>ACS Omega >Modified Group Contribution Scheme to Predict the Glass-Transition Temperature of Homopolymers through a Limiting Property Dataset
【24h】

Modified Group Contribution Scheme to Predict the Glass-Transition Temperature of Homopolymers through a Limiting Property Dataset

机译:改性组贡献方案通过限制性数据集预测均聚物的玻璃化转变温度

获取原文
           

摘要

Previous studies on glass-transition temperature (T _(g)) prediction mainly focus on developing diverse methods with higher regression accuracy, but very little attention has been paid to the dataset. Generally, a large range of T _(g) values of a specified polymer could be found in the literature but which one should be selected into a dataset merely depends on the implicit preference rather than a recognized and clear criterion. In this paper, limiting glass-transition temperature (T _(g)(∞)), a constant value obtained at the infinite number-average molecular weight M _(n), was validated to be an adequate bridge index in the T _(g) prediction models. Furthermore, a new dataset containing 198 polymers was established to predict T _(g)(∞) using the improved group contribution method and it showed a good correlation (R ~(2) = 0.9925, adjusted R ~(2) = 0.9894). The method could also generate T _(g)–M _(n) curves by introducing the T _(g)(∞) function and provide more information to polymer scientists and engineers for material selection, product design, and synthesis.
机译:以前关于玻璃化转变温度的研究( t _(g))预测主要关注开发具有更高回归精度的多样化方法,但对数据集进行了很少的关注。通常,可以在文献中找到指定聚合物的大范围的 t_(g)值,而是仅取决于隐式偏好而不是识别的和明确的标准来选择该指定聚合物的一个 t _(g)值。在本文中,限制玻璃化转变温度( T_(g)(∞)),在无限数均分子量 R〜(2)= 0.9894)。该方法还可以通过引入 t_(g)(∞)函数来生成 t_(g) - m _(n)曲线,并为高分子科学家和工程师提供更多信息进行材料选择,产品设计和合成。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号