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Prediction of Fundamental Data of Fission Products in Molten Salt and Liquid Electrode for Electrochemical Separation

Wang, Yafei
http://rave.ohiolink.edu/etdc/view?acc_num=osu1492701003054193

Abstract Details

2017, Master of Science, Ohio State University, Nuclear Engineering.
Electrochemical separation is widely used for the pyroprocessing of spent nuclear fuel and cleanup system for coolant salts in Fluoride-Salt-Cooled High-Temperature Reactor (FHR). Thermodynamic and electrochemical properties of fission products in molten salt and liquid bismuth electrode are required for both pyroprocessing and cleanup system designs. In the molten salt, the present study considered lanthanum, yttrium, scandium, and terbium which are four important fission products in electrochemical separation. Thermodynamic and transport properties studied in the thesis including activity coefficients, apparent potentials, and diffusion coefficients were calculated by the method of molecular dynamics simulation method up to a concentration around 3 at% at the temperatures of 723 K and 773 K. The relationships between properties and concentration were studied. For dilution cases, the calculated results agree well with available data by different research groups. This research extends the range of the available data to a larger concentration range and also provide a predictive model for property prediction of the key properties of fission products and actinides in molten salt. In addition to thermodynamic properties, some other fundamental parameters like electron transfer coefficient are also important for electrochemical separation. Under that scenario, a software was developed to analyze the experimental data and deduce the other fundamental parameters based on BET model. The software is applied to analyze CV signals, based on which the apparent potential and diffusion coefficient can also be derived. It can provide a more accurate option for analyzing the electrochemical system that do not exhibit reversibility since the conventional analysis method is based on the assumption of reversibility. An innovative model incorporating reaction kinetics and mass transfer for cyclic voltammetry process was also developed based on Kinetic Monte Carlo simulation and mass transfer theory. It can give the information about surface concentrations of reduced atoms on the electrode and oxidized ions in the electrolyte which filled up the gap of some microscopic information cannot be obtained in the software. Bismuth is usually used as the liquid electrode or liquid extracting solution to separate fission products from molten salt. Activity coefficients, enthalpy of mixing, and solubility of Pr, Ce, and Er in liquid bismuth were thermodynamically assessed by CALPHAD method based on the available experimental data. The obtained activity coefficients and enthalpy of mixing at different concentrations supplemented the existing thermodynamic data limiting to dilution concentrations.
Jinsuo Zhang (Advisor)
Marat Khafizov (Advisor)
171 p.
Nuclear Engineering
Fission products; molten salt; liquid electrode; electrochemical separation

Recommended Citations

Citations

  • Wang, Y. (2017). Prediction of Fundamental Data of Fission Products in Molten Salt and Liquid Electrode for Electrochemical Separation [Master's thesis, Ohio State University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=osu1492701003054193

    APA Style (7th edition)

  • Wang, Yafei. Prediction of Fundamental Data of Fission Products in Molten Salt and Liquid Electrode for Electrochemical Separation. 2017. Ohio State University, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=osu1492701003054193.

    MLA Style (8th edition)

  • Wang, Yafei. "Prediction of Fundamental Data of Fission Products in Molten Salt and Liquid Electrode for Electrochemical Separation." Master's thesis, Ohio State University, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=osu1492701003054193

    Chicago Manual of Style (17th edition)

osu1492701003054193
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© 2017, all rights reserved.
This open access ETD is published by The Ohio State University and OhioLINK.