【二维反应扩散方程】基于Matlab模拟电化学氧化还原

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⛄ 内容介绍

An electrochemical system contains two main parts, the electrode, an electronic conductor, and the electrolyte, an ionic conductor containing electroactive chemicals. Our measurements will simulate a three-electrode potentiostat, where we will apply a time-dependent potential between the ‘working’ electrode and the reference electrode and measure the current that flows between the working and the auxiliary electrodes as a response. We simplify our system by focussing on the reactions taking place at the working electrode and the electrolyte.  By applying a potential, additional energy can be supplied or taken from the electrons in the electrode. For metallic conductors, this means an increase or decrease in their highest possible energy for the electrons in the electron cloud, called the Fermi-energy. As the electrons in metals do not posses discrete energy levels (due their overlaps in electron orbits) they form a continuous spectrum up to the Fermi- energy. Hence by increasing the potential, the Fermi-level can be lowered below the highest occupied molecular orbit (HOMO) of the reactant particles A, favouring a transfer of electrons as it releases energy. This will lead to a formation of oxidised B particles at the electrode and a peak in our (simulated) measurement. Conversely, the potential can also be lowered such that an reduction process will be favourable and the electrons move from the electrode to the lowest unoccupied molecular orbital (LUMO) of the reactant re-forming A particles.

⛄ 部分代码

%% varying E0

clear all

gamma=1;

alpha=0.5;

E0_collection=[-5, -2, 0, 2, 5];

k=1;

K0=0.1;

n= 500;

h=0.1;

for E0=E0_collection

    [~,~, I(k,:), E(k,:)]= sweep2(K0, E0, alpha, gamma, n,h);

    k=k+1

end

%%

figure

for i=1:length(E0_collection)

    h=plot(E(i,:), I(i,:));hold on

    n=legend('E0= -5','E0= -2','E0= 0','E0= 2','E0= 4.5', 'Location','northwest', 'fontsize', 15);hold on

    set(h,'linewidth',2);

    set(n,'fontsize', 15)

    ylabel('I(t)', 'fontsize', 20);hold on

    xlabel('E(t)', 'fontsize', 20);hold on

    title('Varying E_0', 'fontsize', 20);hold on

end

set(gca,'FontName','Times');

saveas(gcf,'vary_E0.png')

⛄ 运行结果

⛄ 参考文献

[1] 张焕.基于液相氧化还原反应的电化学储能体系[D].厦门大学,2012.DOI:http://dspace.xmu.edu.cn:8080/dspace/handle/2288/34555.

[2] 张焕.基于液相氧化还原反应的电化学储能体系[J].  2012.

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