在多相材料中模拟气体运输:对半晶膜的应用
Lorenzo Merlonghi1,2, Marco Giacinti Baschetti1,2, Maria Grazia De Angelis2,3
1Department of Civil, Chemical, Environmental and Material Engineering (DICAM), Alma Mater Studiorum-Università di Bologna, Via Terracini 28, 40131 Bologna, Italy.
Membranes
|March 26, 2025
概括
这项研究模拟了半晶聚合物中的气体透,揭示了晶体结构如何影响透性和曲性. 新的方程预测了膜和屏障应用的曲率.
科学领域:
- 材料科学 材料科学 材料科学
- 聚合物科学 聚合物科学
- 化学工程是化学工程的重要组成部分.
背景情况:
- 对复合材料来说,异质材料中的气体透得到了很好的研究.
- 现有的模型往往侧重于低填充剂含量和高尺寸比.
- 半晶体聚合物由于不同的晶体分数而存在独特的挑战.
研究的目的:
- 将气体透模型扩展到半晶聚合物.
- 研究晶体形态对气体运输的影响.
- 开发这些材料中曲率的预测模型.
主要方法:
- 使用随机顺序吸附和沃罗诺伊模块化进行微观结构生成的数值模拟.
- 有限体积法用于解决局部质量平衡和计算流量减小.
- 分析晶石的排列,尺寸,方向和形状效应.
主要成果:
- 量化流量减少由于不透的晶体领域.
- 确定了影响相对透性和扭曲性的关键形态参数.
- 建立了微观结构和宏观运输特性之间的关系.
结论:
- 这项研究为了解半晶聚合物在各种晶体体积分数中的气体透提供了一个框架.
- 提出的新分析方程式可以改善膜和屏障材料的曲率预测.
- 形态效应对于准确建模半晶聚合物中的气体运输至关重要.
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