Boron and lithium aqueous thermochemistry to model crud deposition in pressurized water reactors

IF 2.2 3区工程技术 Q3 CHEMISTRY, PHYSICAL

Journal of Chemical Thermodynamics Pub Date : 2024-03-26 DOI:10.1016/j.jct.2024.107289

Jason T. Rizk , Jacob W. McMurray , Brian D. Wirth

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Abstract

A comprehensive database of boron and lithium aqueous thermochemistry has been developed for use at elevated temperatures. The Helgeson-Kirkham-Flowers (HKF) formalism provides a framework to describe thermodynamic properties over a broad range of temperatures and pressures. Accuracy at high temperatures is vital to modeling nickel oxide and ferrite fuel deposits that occur in pressurized water nuclear reactors (PWRs). CALPHAD (CALculation of PHAse Diagrams) calculations are performed at PWR crud conditions to predict the stability regions of the solid lithium metaborate (LiBO₂) and lithium tetraborate (Li₂B₄O₇) precipitates. In addition, similar calculations are performed using sodium and potassium instead of lithium in order to assess the thermodynamics associated with preventing the formation of such precipitates. This database contributes to understanding of crud formation and composition and will aid in the prediction of phenomena such as Crud-Induced Power Shifts (CIPS).

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硼和锂水热化学模拟加压水反应堆中的渣滓沉积

我们开发了一个全面的硼和锂水热化学数据库，可在高温下使用。赫尔格森-柯克姆-弗劳尔斯（HKF）形式主义提供了一个框架，用于描述广泛温度和压力范围内的热力学特性。高温下的准确性对于模拟压水核反应堆（PWR）中出现的氧化镍和铁氧体燃料沉积物至关重要。CALPHAD（CALculation of PHAse Diagrams）计算是在压水堆渣态条件下进行的，用于预测固体偏硼酸锂（LiBO2）和四硼酸锂（Li2B4O7）沉淀物的稳定区域。此外，还使用钠和钾代替锂进行了类似计算，以评估与防止形成此类沉淀物有关的热力学。该数据库有助于了解岩屑的形成和组成，并有助于预测岩屑诱发的功率转移（CIPS）等现象。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Chemical Thermodynamics 工程技术-热力学

CiteScore

5.60

自引率

15.40%

发文量

199

审稿时长

79 days

期刊介绍： The Journal of Chemical Thermodynamics exists primarily for dissemination of significant new knowledge in experimental equilibrium thermodynamics and transport properties of chemical systems. The defining attributes of The Journal are the quality and relevance of the papers published. The Journal publishes work relating to gases, liquids, solids, polymers, mixtures, solutions and interfaces. Studies on systems with variability, such as biological or bio-based materials, gas hydrates, among others, will also be considered provided these are well characterized and reproducible where possible. Experimental methods should be described in sufficient detail to allow critical assessment of the accuracy claimed. Authors are encouraged to provide physical or chemical interpretations of the results. Articles can contain modelling sections providing representations of data or molecular insights into the properties or transformations studied. Theoretical papers on chemical thermodynamics using molecular theory or modelling are also considered. The Journal welcomes review articles in the field of chemical thermodynamics but prospective authors should first consult one of the Editors concerning the suitability of the proposed review. Contributions of a routine nature or reporting on uncharacterised materials are not accepted.