摘要：

電化學(xué)能量儲存和轉(zhuǎn)換技術(shù)已成為解決能源和環(huán)境問題的重要手段。如何解決大規(guī)模工業(yè)化應(yīng)用過程中電化學(xué)能量儲存和轉(zhuǎn)換體系相關(guān)材料、器件的研發(fā)、設(shè)計、優(yōu)化以及管理控制等關(guān)鍵科學(xué)和技術(shù)問題已經(jīng)成為一個熱點。本工作以鋰離子電池、超級電容器和電解水制氫3個具體實例為對象，建立電化學(xué)系統(tǒng)多物理場模型?；趯嶒烌炞C模型，探索了大容量軟包電池內(nèi)芯傳遞現(xiàn)象、電化學(xué)反應(yīng)過程及電流分布間的相互作用；引入“靜電像相關(guān)性”概念，研究超級電容器多級孔道內(nèi)雙電層及贗電容的分布規(guī)律；考慮PEM電解水制氫工程學(xué)上的瞬態(tài)問題，研究制氫裝置電化學(xué)表征特性模擬及兩相流傳遞現(xiàn)象對電解性能的影響。結(jié)果表明，大電流操作、導(dǎo)熱性差的電池內(nèi)芯材料顯著加劇電池內(nèi)芯內(nèi)部電流及反應(yīng)非均勻性，超級電容器微孔和介孔配比影響雙電層及贗電容分布及離子傳遞過程，制氫裝置部件需要高親水性材料且保持流道中高液相飽和度來增強(qiáng)電解性能。由此可見，多物理場模型可以為材料設(shè)計、實際物理過程分析以及系統(tǒng)優(yōu)化等方面提供理論和設(shè)計指導(dǎo)。

關(guān)鍵詞: 多物理場模型, 電化學(xué)儲能, 電化學(xué)工程, 鋰離子電池, 超級電容器, 電解水制氫

Abstract:

The use of electrochemical energy storage and conversion technology is a primary method for addressing energy and environmental problems. The key scientific and technological issues of its material development, optimization and design, and system management for industrial-scale applications have received a lot of attention. This paper describes three application cases: lithium-ion batteries, supercapacitors, and proton exchange membrane water electrolysis (PEMWE), as well as the multiphysics models that were developed for each. We discovered and investigated the interactions of transport phenomena, electrochemistry, and current density distributions in the large-format pouch cell based on such experimentally validated models; we introduced "electrostatic image forces" to study the effects of hierarchically porous structures on double layer and pseudocapacitance of the supercapacitor; we considered the transient-state issues in PEMWE engineering, and investigate the effects of two-phase flow transport phenomena on the electrolytic performance. The results show that high C-rate operations and jelly roll materials with low thermal conductivities significantly increase the heterogeneity of internal reactions and current density distributions. It also claims that the volume ratio of micro and mesopores influences the allocation of alternative capacitances in the hierarchical pores and ion transport processes. PEMWE requires materials with high hydrophilia and high liquid saturations in the flow channels to improve electrolytic performance. As a result, the multiphysics models can help with theoretical interpretation and optimization in the areas of material design, process analysis, and system management optimization.

Key words: multiphysics modelling, electrochemical energy storage, electrochemical engineering, lithium-ion batteries, supercapacitors, water electrolysis

中圖分類號: 

O 646

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