基于有限元方法的CeCl3和NdCl3在LiCl-KCl熔盐中的电极动力学模拟

doi:10.11962/1006-4990.2020-0171

Abstract

Abstract:

It is the key issue for realizing the electrolytic post-ptreatment of spent fuel to fully understand the behavior and properties of various actinides and lanthanides in the molten salt.However, the high-temperature environment,corrosive molten salt and even radioactive salt required for pyroprocessing experiments limit the extensive development of them.In order to find a low-cost and reliable way to obtain the properties of the elements in the molten salt,the finite element method was utilized to simulate the cyclic voltammetry curves of CeCl₃ and NdCl₃ in LiCl-KCl molten salt at different temperatures and concentrations.Compared with the experimental data,the results showed that the finite element method can accurately reflect the actual electrochemical process,providing data support for the electrolytic post-ptreatment of spent fuel.

Key words: finite element method, spent fuel, molten salt electrolysis, electrode dynamics, cyclic voltammetry

CLC Number:

TQ131.11

Gu Xubo,Zhou Wentao,Wang Dezhong. Finite element method based electrochemical electrode kinetics simulation for CeCl₃ and NdCl₃ in LiCl-KCl molten salt[J]. Inorganic Chemicals Industry, 2021, 53(2): 34-37.

Figures/Tables 9

References 12

[1]	王有群, 何辉, 林如山, 等. 无机氯化物熔盐在乏燃料干法后处理中的应用进展[J]. 无机盐工业, 2016,48(8):1-5.
[2]	黄一飞, 孟照凯, 林如山, 等. 氯化锂-氯化钾熔盐中二氧化铈的熔解还原[J]. 无机盐工业, 2016,48(10):16-19.
[3]	张萌, 王靖阳, 孙兰昕, 等. 乏燃料干法后处理中铀电沉积行为模拟研究[J]. 核动力工程, 2019,40(6):72-76.
[4]	Kim S H, Park S B, Lee S, et al. Computer-assisted design and experi-mental validation of multielectrode electrorefiner for spent nuclear fuel treatment using a tertiary model[J]. Nuclear Engineering and Design, 2013,257:12-20.
[5]	Zhou W, Wang Y, Zhang J. Integrated model development for safe-guarding pyroprocessing facility:Part Ⅰ-Model development and va-lidation[J]. Annals of Nuclear Energy, 2018,112:603-614. doi: 10.1016/j.anucene.2017.09.050
[6]	Zhou W, Wang Y, Zhang J. Integrated model development for safe-guarding pyroprocessing facility:Part Ⅱ-Case studies and model integration[J]. Annals of Nuclear Energy, 2018,112:48-61. doi: 10.1016/j.anucene.2017.09.036
[7]	Zhang M, Wang J, Cai Y, et al. Electroanalytical and electrodeposit-ed simulation of Ce³⁺ in molten LiCl-KCl [J]. Journal of the Elec-trochemical Society, 2019,166(15):D868-D874.
[8]	Zhang J. Safeguards in pyroprocessing:An integrated model develop-ment and measurement data analysis[D]. Columbus,OH:The Ohio State University Research Foundation, 2017.
[9]	Berzins T, Delahay P. Oscillographic polarographic waves for the re-versible deposition of metals on solid electrodes[J]. Journal of the American Chemical Society, 1953,75(3):555-559.
[10]	Delahay P. New instrumental methods in electrochemistry[J]. In-strumentation and Application to Analytical and Physical Chem-istry,Interscience, 1954,102(2):46C-47C.
[11]	朱凤艳. Ce(Ⅲ)在熔盐中的电化学行为及共沉积制备Mg-Li-Ce、Al-Li-Ce合金[D]. 哈尔滨:哈尔滨工程大学, 2012.
[12]	Wu E. Integrated study of rare earth drawdown by electrolysis for mo-lten salt recycle[D].Columbus,Ohio:The Ohio State University, 2017

法拉第常数/ （ C·mol^-1）	温度/K	c（Ce³⁺）/ （mol·m^-3）	Ce³⁺平衡电位（E）/V	Ce³⁺扩散系数（D）/ （ m²·s^-1）
96 485	773	329.2	-2.137^[8]	0.69×10^-9[8]
CeCl₃密度/ （kg·m^-3）	CeCl₃摩尔质量/（g·mol^-1）	LiCl-KCl 摩尔质量/ （g·mol^-1）	LiCl-KCl 熔盐密度/ （kg·m^-3）	Ce³⁺交换电流密度 i₀/（A·m^-2）
3 970	246.475	55.258 6	1 621.4	1 492^[8]

序号		质量分数/%	温度/ K	阴极峰电流/mA	相对误差/%	峰电位/ V	相对误差/%
1	实验	0.50	773	-17.0	4.7	-2.188 8	0.4
1	模拟	0.50	773	-17.8	4.7	-2.189 6	0.4
2	实验	2.00	773	-69.2	0.4	-2.156 2	0.7
2	模拟	2.00	773	-69.5	0.4	-2.141 8	0.7
3	实验	1.82	833	-170.0	12.0	-1.954 1	0.5
3	模拟	1.82	833	-191.0	12.0	-1.964 3	0.5

法拉第常数/ （C·mol^-1）	温度/K	c（Nd³⁺）/ （mol·m^-3）	c（Nd²⁺）/ （mol·m^-3）	Nd³⁺平衡电位/V	Nd²⁺平衡电位/V	Nd³⁺扩散系数（D）/（ m²·s^-1）	Nd²⁺扩散系数（D）/（ m²·s^-1）
96 485	723	329.2	0	-2.142	-2.175	0.69×10^-9[12]	1.09×10^-9[12]
NdCl₃密度/ （ kg·m^-3）	NdCl₃摩尔质量/ （ g·mol^-1）	LiCl-KCl摩尔质量/（g·mol^-1）	LiCl-KCl熔盐密度/（kg·m^-3）	Nd³⁺速率常数（k）/（m·s^-1）	Nd²⁺速率常数（k）/（m·s^-1）	Nd³⁺阴极传递系数（α₃）	Nd²⁺阴极传递系数（α₂）
4 134	250.601	55.258 6	1 621.4	1	4.119×10^-7[12]	0.5	1.0

序号		质量分数/%	温度/K	Nd³⁺阴极峰电流/mA	相对误差/%	峰电位/ V	相对误差/%	Nd²⁺阴极峰电流/mA	相对误差/%	峰电位/ V	相对误差/%
1	实验	3	723	-9.19	5.0	-2.140	0.4	-43.9	4.3	-2.188	0.8
1	模拟	3	723	-9.65	5.0	-2.132	0.4	-45.8	4.3	-2.206	0.8
2	实验	6	723	-9.23	5.2	-2.128	0.8	-37.3	7.5	-2.190	0.5
2	模拟	6	723	-8.74	5.2	-2.111	0.8	-40.1	7.5	-2.200	0.5
3	实验	3	773	-10.96	2.9	-2.116	0.6	-50.8	0	-2.168	0.7
3	模拟	3	773	-11.28	2.9	-2.104	0.6	-50.8	0	-2.184	0.7

National Inorganic Salts Information Center

Inorganic Acid-Base-Salt Committee of CIESC

Finite element method based electrochemical electrode kinetics simulation for CeCl₃ and NdCl₃ in LiCl-KCl molten salt

RichHTML

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

Figures/Tables 9

References 12

Related Articles 1

Metrics

Comments

Recommended 10

Finite element method based electrochemical electrode kinetics simulation for CeCl3 and NdCl3 in LiCl-KCl molten salt