期刊
INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE
卷 128, 期 -, 页码 44-62出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ijengsci.2018.03.007
关键词
Chemical affinity tensor; Chemo-mechanical processes; Silicon lithiation; Non-linear viscoelastic material; Finite strains; Spherically symmetric problem
资金
- EU Horizon project Silicon based materials and new processing technologies for improved lithium-ion batteries (Sintbat) [685716]
- German Research Foundation (Deutsche Forschungsgemeinschaft) [17-51-12055]
- Russian Foundation for Basic Research [17-51-12055]
This paper aims at modelling stress-affected chemical reactions in spherical particles by adopting the chemo-mechanical framework based on the chemical affinity tensor and combining it with the finite-strain non-linear viscoelastic constitutive model. The model is applied to the chemical reaction between lithium (Li) ions and silicon (Si), which has been considered as promising successor to graphite for use as active material in lithium-ion battery (LIB) anodes. However, during charging of LIBs, Si enters into the chemical reaction with Li ions, causing large volumetric expansion of Si particles, which leads to the emergence of mechanical stresses, which, in turn, can affect the kinetics of the chemical reaction even up to the reaction arrest. In this paper, the propagation of the reaction front separating the chemically transformed and the untransformed phases is modelled, and the coupled stress-diffusion-reaction problem is solved using the finite element approach. The model predicts the retardation and the locking of the chemical reaction in Si depending on the values of the chemical energy parameter, which corresponds to experimental observations. (C) 2018 The Authors. Published by Elsevier Ltd.
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