Study of the thermal stability of studtite by in situ Raman spectroscopy and DFT calculations

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• 作者：Francisco Colmenero^a ; ^{francisco.colmenero@iem.cfmac.csic.es} ; Laura J. Bonales^b ; Joaquí ; n Cobos^b ; Vicente Timó ; n^a
• 关键词：Spent fuel ; Studtite ; Raman spectroscopy ; DFT ; Structure thermal stability
• 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
• 出版年：2017
• 出版时间：5 March 2017
• 年：2017
• 卷：174
• 期：Complete
• 页码：245-253
• 全文大小：1286 K
• 卷排序：174

文摘

Structure and spectra of synthetic studtite determined by experimental and DFT methods DFT calculations permitted to assign the Raman spectrum bands for the first time Dehydration process of studtite occurs at temperatures much lower than published. Heating rate must be strictly controlled in the thermal stability studies. In presence of water, studtite dehydration does not occur below 90 °C.