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Article Navigation >  Green Energy&Environment  > 2020  >  5(3): 303-321
Haolan Tao, Cheng Lian, Honglai Liu. Multiscale modeling of electrolytes in porous electrode: From equilibrium structure to non-equilibrium transport. Green Energy&Environment, 2020, 5(3): 303-321. doi: 10.1016/j.gee.2020.06.020
Citation: Haolan Tao, Cheng Lian, Honglai Liu. Multiscale modeling of electrolytes in porous electrode: From equilibrium structure to non-equilibrium transport. Green Energy&Environment, 2020, 5(3): 303-321. doi: 10.1016/j.gee.2020.06.020
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Multiscale modeling of electrolytes in porous electrode: From equilibrium structure to non-equilibrium transport

doi: 10.1016/j.gee.2020.06.020
  • a.

    State Key Laboratory of Chemical Engineering and Shanghai Engineering Research Center of Hierarchical Nanomaterials, School of Chemical Engineering, East China University of Science and Technology, Shanghai, 200237, China

  • b.

    School of Chemistry and Molecular Engineering, East China University of Science and Technology, Shanghai, 200237, China

  • c.

    Institute for Theoretical Physics, Center for Extreme Matter and Emergent Phenomena, Utrecht University, Princetonplein 5, 3584 CC Utrecht, the Netherlands

More Information
  • Corresponding author: E-mail address: liancheng@ecust.edu.cn (Cheng Lian); E-mail address: hlliu@ecust.edu.cn (Honglai Liu)
  • Received date 26 March 2020, Accepted date 22 June 2020, RevRecd date 21 June 2020, Available online 27 June 2020, Publish date 31 July 2020,
    Abstract
  • Understanding the mechanisms and properties of various transport processes in the electrolyte, porous electrode, and at the interface between electrode and electrolyte plays a crucial role in guiding the improvement of electrolytes, materials and microstructures of electrode. Nanoscale equilibrium properties and nonequilibrium ion transport are substantially different to that in the bulk, which are difficult to observe from experiments directly. In this paper, we introduce equilibrium and no-equilibrium thermodynamics for electrolyte in porous electrodes or electrolyte–electrode interface. The equilibrium properties of electrical double layer (EDL) including the EDL structure and capacitance are discussed. In addition, classical non-equilibrium thermodynamic theory is introduced to help us understand the coupling effect of different transport processes. We also review the recent studies of nonequilibrium ion transport in porous electrode by molecular and continuum methods, among these methods, dynamic density functional theory (DDFT) shows tremendous potential as its high efficiency and high accuracy. Moreover, some opportunities for future development and application of the non-equilibrium thermodynamics in electrochemical system are prospected.

     

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