化学与化学工程中的元胞自动机。

IF 7.6 2区工程技术 Q1 CHEMISTRY, APPLIED Annual review of chemical and biomolecular engineering Pub Date : 2020-06-07 DOI:10.1146/annurev-chembioeng-093019-075250

Natalia V Menshutina, Andrey V Kolnoochenko, Evgeniy A Lebedev

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引用次数: 10

摘要

本文综述了元胞自动机(CA)在解决化学和化学技术实际问题中的应用现状。我们考虑了材料结构建模和材料形态相关特性的预测问题。我们回顾了CA方法在模拟扩散、结晶、溶解、侵蚀、腐蚀、吸附和水化过程中的应用。我们还考虑了基于混合CA的模型的例子，这些模型是各种CA与其他计算方法和建模方法的组合。最后，我们讨论了使用高性能并行计算来提高CA的效率。

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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Cellular Automata in Chemistry and Chemical Engineering.

We review the modern state of cellular automata (CA) applications for solving practical problems in chemistry and chemical technology. We consider the problems of material structure modeling and prediction of materials' morphology-dependent properties. We review the use of the CA approach for modeling diffusion, crystallization, dissolution, erosion, corrosion, adsorption, and hydration processes. We also consider examples of hybrid CA-based models, which are combinations of various CA with other computational approaches and modeling methods. Finally, we discuss the use of high-performance parallel computing to increase the efficiency of CA.

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来源期刊

Annual review of chemical and biomolecular engineering CHEMISTRY, APPLIED-ENGINEERING, CHEMICAL

CiteScore

16.00

自引率

0.00%

发文量

期刊介绍： The Annual Review of Chemical and Biomolecular Engineering aims to provide a perspective on the broad field of chemical (and related) engineering. The journal draws from disciplines as diverse as biology, physics, and engineering, with development of chemical products and processes as the unifying theme.