期刊
JOURNAL OF CHEMICAL AND ENGINEERING DATA
卷 -, 期 -, 页码 -出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jced.3c00429
关键词
-
This study presents a novel multiscale modeling approach based on thermomechanics to accurately predict gas solubility in semicrystalline polymers. The approach considers factors such as temperature, pressure, and polyethylene grade, and incorporates a mechanical homogenization method to consider the semicrystalline morphology and obtain local mechanical material information. Experimental results show good agreement between the model predictions and actual data, with a relative error below 3%.
The solubility of gases in semicrystalline polymers is a significant property with numerous applications, such as gas-phase polymerization. Although thermodynamic modeling has successfully determined gas solubility in glassy polymers or polymer melts without crystallites, predicting gas solubility in polymers with a semicrystalline morphology remains challenging. This study presents a novel multiscale modeling approach based on thermomechanics to predict gas solubility in semicrystalline polymers across different temperatures, pressures, and various grades of polyethylene. The thermomechanical framework incorporates the SL-EOS and continuum mechanics, utilizing a mechanical homogenization method to consider the semicrystalline morphology and obtain local mechanical material information. Additionally, the temperature dependence of the degree of crystallinity of polyethylene is considered. By employing this approach, the solubility of ethylene in different polyethylene grades in the semicrystalline state can be accurately predicted, demonstrating good agreement with experimental data with a relative error below 3%.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据