{"title":"GSgM of Thermal, Chemical, and Crystallization Properties in Simulated Actinides-Rich HLW Iron-Phosphate Glasses","authors":"Liyan Zhang, Hong Li, Shubin Chen, Lili Hu","doi":"10.1111/ijag.70028","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>Modeling of glass transition temperature (<i>T</i><sub>g</sub>), chemical durability, and crystallization was carried out using the glass structure gene modeling (GSgM) approach for phosphate-based glasses containing simulated high-level waste (HLW) enriched in MoO<sub>3</sub>, ZrO<sub>2,</sub> and RE<sub>2</sub>O<sub>3</sub>. In this approach, the structural groups of phosphate glasses were derived from deconvolution of FTIR spectra, and high-accuracy structure-property models for the target properties were developed using limited experimental data. The chemical durability model also revealed the difference in the leaching behavior of Li<sup>+</sup> relative to Na<sup>+</sup> and K<sup>+</sup>, as well as La<sup>3+</sup> relative to Ce<sup>3+</sup> and Nd<sup>3+</sup>. Results showed that these structure-property models are preferable for property predictions and reliable for fast screening of new glass compositions.</p>\n </div>","PeriodicalId":13850,"journal":{"name":"International Journal of Applied Glass Science","volume":"17 2","pages":""},"PeriodicalIF":2.5000,"publicationDate":"2026-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Applied Glass Science","FirstCategoryId":"88","ListUrlMain":"https://ceramics.onlinelibrary.wiley.com/doi/10.1111/ijag.70028","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, CERAMICS","Score":null,"Total":0}
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Abstract
Modeling of glass transition temperature (Tg), chemical durability, and crystallization was carried out using the glass structure gene modeling (GSgM) approach for phosphate-based glasses containing simulated high-level waste (HLW) enriched in MoO3, ZrO2, and RE2O3. In this approach, the structural groups of phosphate glasses were derived from deconvolution of FTIR spectra, and high-accuracy structure-property models for the target properties were developed using limited experimental data. The chemical durability model also revealed the difference in the leaching behavior of Li+ relative to Na+ and K+, as well as La3+ relative to Ce3+ and Nd3+. Results showed that these structure-property models are preferable for property predictions and reliable for fast screening of new glass compositions.
期刊介绍：
The International Journal of Applied Glass Science (IJAGS) endeavors to be an indispensable source of information dealing with the application of glass science and engineering across the entire materials spectrum. Through the solicitation, editing, and publishing of cutting-edge peer-reviewed papers, IJAGS will be a highly respected and enduring chronicle of major advances in applied glass science throughout this century. It will be of critical value to the work of scientists, engineers, educators, students, and organizations involved in the research, manufacture and utilization of the material glass. Guided by an International Advisory Board, IJAGS will focus on topical issue themes that broadly encompass the advanced description, application, modeling, manufacture, and experimental investigation of glass.
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