Mechanistic insights into homogeneous electrocatalytic reaction for energy storage using finite element simulation
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Mechanistic insights into homogeneous electrocatalytic reaction for energy storage using finite element simulation
Chinese Journal of Chemical EngineeringVol. 42, Issue 2, Pages: 285-296(2022)
Affiliations:
Beijing Key Laboratory for Green Catalysis and Separation, Department of Environmental and Chemical Engineering, Beijing University of Technology,Beijing,China,100124
Author bio:
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Published:2022
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Peng Song, Yan Li, Shuang Yin. Mechanistic insights into homogeneous electrocatalytic reaction for energy storage using finite element simulation[J]. Chinese Journal of Chemical Engineering, 2022, 42(2): 285-296.
DOI:
Peng Song, Yan Li, Shuang Yin. Mechanistic insights into homogeneous electrocatalytic reaction for energy storage using finite element simulation[J]. Chinese Journal of Chemical Engineering, 2022, 42(2): 285-296.DOI:
Mechanistic insights into homogeneous electrocatalytic reaction for energy storage using finite element simulation
The application of homogeneous electrocatalytic reactions in energy storage and conversion has driven surging interests of researchers in exploring the reaction mechanisms of molecular catalysts. In this paper
homogeneous electrocatalytic reaction between hydroxymethylferrocene (HMF) and L-cysteine is intensively investigated by cyclic voltammetry and square wave voltammetry for which
the second-order rate constant (
k
ec
) of the chemical reaction between HMF
+
and L-cysteine is determined
via
a 1D homogeneous electrocatalytic reaction model based on finite element simulation. The corresponding
k
ec
(1.1 (mol·m
-3
)
-1
·s
-1
) is further verified by linear sweep voltammograms under the same model. Square wave voltammetry parameters including potential frequency (
f
)
increment (
E
step
) and amplitude (
E
SW
) have been comprehensively investigated in terms of the voltammetric waveform transition of homogeneous electrocatalytic reaction. Specifically
the effect of potential frequency and increment is in accordance with the potential scan rate in cyclic voltammetry and the increase of pulsed potential amplitude res
ults in a conspicuous split oxidative peaks phenomenon. Moreover
the proposed methodology of
k
ec
prediction is examined by hydroxyethylferrocene (HEF) and L-cysteine. The present work facilitates the understanding of homogeneous electrocatalytic reaction for energy storage purpose
especially in terms of electrochemical kinetics extraction and flow battery design.
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