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使用键合粒子模型对生物聚合物藻酸盐气凝胶的机械行为进行建模。

Modelling of Mechanical Behavior of Biopolymer Alginate Aerogels Using the Bonded-Particle Model.

机构信息

Institute of Solids Process Engineering and Particle Technology, Hamburg University of Technology, 21073 Hamburg, Germany.

Institute of Thermal Separation Processes, Hamburg University of Technology, 21073 Hamburg, Germany.

出版信息

Molecules. 2019 Jul 12;24(14):2543. doi: 10.3390/molecules24142543.

Abstract

A novel mesoscale modelling approach for the investigation of mechanical properties of alginate aerogels is proposed. This method is based on the discrete element method and bonded-particle model. The nanostructure of aerogel is not directly considered, instead the highly porous structure of aerogels is represented on the mesoscale as a set of solid particles connected by solid bonds. To describe the rheological material behavior, a new elastic-plastic functional model for the solids bonds has been developed. This model has been derived based on the self-similarity principle for the material behavior on the macro and mesoscales. To analyze the effectiveness of the proposed method, the behavior of alginate aerogels with different crosslinking degrees (calcium content) was analyzed. The comparison between experimental and numerical results has shown that the proposed approach can be effectively used to predict the mechanical behavior of aerogels on the macroscale.

摘要

提出了一种用于研究藻酸盐气凝胶力学性能的新型介观建模方法。该方法基于离散元法和结合粒子模型。气凝胶的纳米结构不直接考虑,而是在介观尺度上将气凝胶的高多孔结构表示为一组通过固体键连接的固体颗粒。为了描述流变材料行为,已经开发了一种用于固体键的新的弹塑性功能模型。该模型是基于材料行为在宏观和介观尺度上的自相似性原理推导出来的。为了分析所提出方法的有效性,分析了具有不同交联度(钙含量)的藻酸盐气凝胶的行为。实验和数值结果的比较表明,所提出的方法可以有效地用于预测气凝胶在宏观尺度上的力学行为。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/396a/6681117/2f526c36ffcf/molecules-24-02543-g001.jpg

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