Immobilization of radioactive fluoride waste in aluminophosphate glass: a molecular dynamics simulation

doi:10.1007/s41365-018-0443-8

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	Immobilization of radioactive fluoride waste in aluminophosphate glass: a molecular dynamics simulation
	Gao, LW ; Xia, XB ; Xu, XQ ; Chen, CQ
刊名	NUCLEAR SCIENCE AND TECHNIQUES
	2018
卷号	29 期号:7 页码:-
关键词	BIOACTIVE PHOSPHATE-GLASSES INTERATOMIC POTENTIALS SILICATE-GLASSES AMORPHOUS SILICA NMR ALUMINOSILICATE CHLORIDE SODIUM SPECTROSCOPY DIFFRACTION
ISSN号	1001-8042
DOI	10.1007/s41365-018-0443-8
文献子类	期刊论文
英文摘要	Molecular dynamics (MD) simulations were conducted to investigate the structural and chemical environment of aluminum in aluminophosphate glasses. Such glasses have the potential for application in the disposal of radioactive fluoride waste from molten salt reactors (MSR). Due to the risks of studying these materials and the limitations of realistic research conditions, MD simulations were used as an alternative method to study the vitrification of radioactive fluoride waste. In the past decades, aluminophosphate glasses have been studied and they exhibit certain favorable properties for high-level radioactive waste management. This work focuses on the effects of fluorine addition on structural changes in the glass. We observed that glass with composition P2O5-Al2O3-Na2O-CaO exhibited a good performance in immobilizing fluoride at low F concentrations (approximately under 25 mol%). Significant changes were observed where PO3F2 units replaced PO3F units in the glass. The four-coordinated AIO(4) units were increasingly converted into five-coordinated [A10(x)F(y)] with the increasing F content. The radionuclide Sr in the simulation had the tendency to form six-coordinated octahedrons in the glass. We conclude that the structural changes resulting from the fluoride waste added to aluminophosphate glasses does not adversely affect their chemical stability at relatively low F concentrations, i.e., under 25 mol%. Hence, the use of phosphate glasses is a potential alternative method of fluoride waste disposal.
语种	英语
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/30978]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
作者单位	1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Appl Phys, Jiading Campus, Shanghai 201800, Peoples R China
推荐引用方式 GB/T 7714	Gao, LW,Xia, XB,Xu, XQ,et al. Immobilization of radioactive fluoride waste in aluminophosphate glass: a molecular dynamics simulation[J]. NUCLEAR SCIENCE AND TECHNIQUES,2018,29(7):-.
APA	Gao, LW,Xia, XB,Xu, XQ,&Chen, CQ.(2018).Immobilization of radioactive fluoride waste in aluminophosphate glass: a molecular dynamics simulation.NUCLEAR SCIENCE AND TECHNIQUES,29(7),-.
MLA	Gao, LW,et al."Immobilization of radioactive fluoride waste in aluminophosphate glass: a molecular dynamics simulation".NUCLEAR SCIENCE AND TECHNIQUES 29.7(2018):-.