Reevaluating Analytical Approximations of Fick's Second Law: A Computational Perspective

IF 1.8 4区 工程技术 Q3 POLYMER SCIENCE
Pan Wang, Tian-Tian Li, Sandrine Hoppe, Guo-Hua Hu, Fen-Er Chen
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引用次数: 0

Abstract

This study examines the limitations of classical analytical approximations of Fick's second law of diffusion and proposes a computational approach to determine the diffusion coefficient (D) using the entire diffusion process data. Traditional approximations rely on short-time diffusion data, potentially leading to misinterpretations. The computational method, validated with experimental data on liquid water diffusion in poly(lactic acid) and oxygen diffusion in poly(ethylene terephthalate), demonstrates higher accuracy and broader applicability. This approach challenges the common assumption that deviations from analytical approximations imply non-Fickian behavior, offering a more reliable method for diffusion analysis.

重新评价菲克第二定律的解析近似:一个计算的视角
本研究考察了菲克第二扩散定律经典解析近似的局限性,并提出了一种利用整个扩散过程数据确定扩散系数(D)的计算方法。传统的近似依赖于短时扩散数据,可能导致误解。用液态水在聚乳酸中的扩散和氧在聚对苯二甲酸乙酯中的扩散实验数据验证了该计算方法的准确性和适用性。这种方法挑战了普遍的假设,即偏离解析近似意味着非菲克行为,为扩散分析提供了更可靠的方法。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Macromolecular Theory and Simulations
Macromolecular Theory and Simulations 工程技术-高分子科学
CiteScore
3.00
自引率
14.30%
发文量
45
审稿时长
2 months
期刊介绍: Macromolecular Theory and Simulations is the only high-quality polymer science journal dedicated exclusively to theory and simulations, covering all aspects from macromolecular theory to advanced computer simulation techniques.
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