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Pore-scale simulation of internal reaction mechanism of positive electrode for zinc-nickel single-flow battery

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Abstract

According to the structure and working characteristics of zinc-nickel single-flow battery stack cell, this paper proposes a pore-size analysis model for internal mass transfer and chemical reaction of positive electrode to describe liquid-phase mass transfer, solid-phase mass transfer, and electrochemical reaction. The lattice Boltzmann method was used to simulate the steady-state reaction under constant current charging. The distribution of the concentration of liquid-phase reaction ions, the proton concentration of the solid phase, and the reaction current density were determined. The influence of electrolyte flow velocity and constant current charge-current density on the electrode reaction was further explored.

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Abbreviations

j Ni :

Reaction current on the surface of the positive solid phase

i Ni, ref :

Positive electrode exchange current density

\( {C}^{{\mathrm{OH}}^{-}} \) :

Hydroxide concentration

\( {C}_{\mathrm{ref}}^{{\mathrm{OH}}^{-}} \) :

Positive electrode hydroxide reference concentration

\( {C}^{{\mathrm{H}}^{+}} \) :

Proton concentration

\( {C}_{\mathrm{ref}}^{{\mathrm{H}}^{+}} \) :

Positive reference proton concentration

\( {C}_{\mathrm{max}}^{{\mathrm{H}}^{+}} \) :

Positive proton maximum concentration

a 1 :

Cathode transfer coefficient

η 1 :

Positive reaction overpotential

R :

Molar gas constant

F :

Faraday constant

T :

Temperature

f i :

Particle distribution function

Δt :

Time step

Δx :

Lattice length

ω :

Relaxation frequency

τ :

Relaxation factor

υ :

Fluid viscosity

\( {f}_{\mathrm{i}}^{\mathrm{eq}} \) :

Equilibrium distribution function

c i :

Discrete speed

\( \overrightarrow{u} \) :

Convective velocity vector

c k :

Unit vector along the flow direction

c s :

Lattice acoustic velocity

w i :

Weight factor

g i :

OH− concentration distribution function

\( {g}_{\mathrm{i}}^{\mathrm{eq}} \) :

Equilibrium distribution function of OH−mass transfer process

φ(x, t):

OH− concentration in LBM model

h i :

H+ concentration distribution function

\( {h}_i^{\mathrm{eq}} \) :

Equilibrium distribution function of H+ mass transfer

ϕ(x, t):

H+ concentration in LBM model

I :

Current density

ρ :

Fluid density

BGK:

Single relaxation model (Boltzmann-BGK equation)

D2Q9:

2D and 9 discrete speeds

\( {D}^{{\mathrm{OH}}^{-}} \) :

OH− diffusion coefficient

\( {D}^{{\mathrm{H}}^{+}} \) :

H+ diffusion coefficient

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Funding

This paper was supported by the National Natural Science Foundation Project of China (No. 51776092).

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Authors and Affiliations

  1. Jiangsu University of Science and Technology, Zhenjiang, 212000, Jiangsu, China

    S.G. Yao, L.K. Xu & Y. Li

  2. Zhangjiagang Smartgrid Fanghua Electrical Energy Storage Research Institute, Zhangjiagang, 215600, Jiangsu, China

    J. Cheng

Authors
  1. S.G. Yao
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  2. L.K. Xu
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  3. Y. Li
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  4. J. Cheng
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Correspondence to S.G. Yao.

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Yao, S., Xu, L., Li, Y. et al. Pore-scale simulation of internal reaction mechanism of positive electrode for zinc-nickel single-flow battery. J Solid State Electrochem 24, 915–928 (2020). https://doi.org/10.1007/s10008-020-04536-y

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  • DOI: https://doi.org/10.1007/s10008-020-04536-y

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