中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
首页 机构 成果 学者
  
  1. CAS IR Grid
  2. 合肥物质科学研究院
  3. 中国科学院合肥物质科学研究院
Room temperature Raman spectroscopy and Si-29 MAS NMR combined with high temperature Raman spectroscopy and DFT calculation of xMgO-(1-x) CaO-SiO2 glasses and melts

文献类型：期刊论文

作者Gong, Xiaoye1,2,3; Wang, Jian1,2,3; You, Jinglin1,2,3; Wang, Min1,2,3; Tang, Xiaohui1,2,3; Zhang, Fu1,2,3; Tang, Kai4; Lu, Liming5; Wan, Songming6; Zhang, Qingli6
刊名CERAMICS INTERNATIONAL
出版日期2022-02-15
卷号48
关键词In-situ Raman spectroscopy 29 Si MAS NMR DFT calculation Quantitative analysis
ISSN号0272-8842
DOI10.1016/j.ceramint.2021.11.029
通讯作者You, Jinglin(jlyou@staff.shu.edu.cn) ; Wang, Min(wang_min@shu.edu.cn) ; Tang, Kai(kai.tang@sintef.no)
英文摘要In order to study the effect of MgO on the microstructure and macroscopic thermos-physical properties of calcium silicate melt, quantitative analysis of the various silicon-oxygen Qi species in magnesium-calcium silicate glasses and melts at a constant alkalinity has been performed by in-situ high temperature Raman spectroscopy, 29Si MAS NMR and DFT (Density Functional Theory) calculation. Several cluster models, probably existed in magnesium-calcium silicate glasses and melts, modified by Ca2+ or Mg2+ have been designed, their Raman vibrational modes and scattering activities were thus simulated and calculated. A function correlating the wavenumbers of Si-Onb (non-bridge oxygen) of various SiOTs (silicon-oxygen tetrahedrons) with their RSCS (Raman scattering cross sections) was constructed and used to calibrate the experimental Raman spectra. The abundance of each primary Qi species of various magnesium-calcium silicate glasses can be composed by all the deconvoluted hyperfine peaks within the same Qi species. The quantitative description for glasses was proven to be consistent with the result from 29Si MAS NMR. Thus, Qi species distributions for melts were also quantitatively derived. It demonstrated that the abundances of Q1 and Q3 species increased while Q2 species decreased with the increasing replacing amount of MgO. The relationship between the viscosity and Qi species distributions as well as different cations has been investigated and correlated. Q3 species was predominantly responsible for the contribution of viscosity of melt.
WOS关键词ALKALI-SILICATE-GLASSES ; VISCOSITY ; SLAG ; SPECTRA ; MGO ; POLYMERIZATION ; EVOLUTION ; CERAMICS ; DENSITY ; RATIO
资助项目National Natural Science Foundation of China[21773152] ; National Natural Science Foundation of China[22003039] ; National 111 project (Programme of Introducing Talents of Discipline to Universities)[D17002] ; Shanghai Committee of Science and Technology Fund, China[12520709200] ; Open Project Program of the State Key Laboratory of Advanced Special Steel, Shanghai University, China[SKLASS2020-06] ; Special Fund Project of Shanghai Municipality for Science and Technology Development[YDZX20173100001316]
WOS研究方向Materials Science
语种英语
WOS记录号WOS:000743463100001
出版者ELSEVIER SCI LTD
资助机构National Natural Science Foundation of China ; National 111 project (Programme of Introducing Talents of Discipline to Universities) ; Shanghai Committee of Science and Technology Fund, China ; Open Project Program of the State Key Laboratory of Advanced Special Steel, Shanghai University, China ; Special Fund Project of Shanghai Municipality for Science and Technology Development
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/127880]  
专题中国科学院合肥物质科学研究院
通讯作者You, Jinglin; Wang, Min; Tang, Kai
作者单位1.Shanghai Univ, State Key Lab Adv Special Steel, Shanghai 200444, Peoples R China
2.Shanghai Univ, Shanghai Key Lab Adv Ferromet, Shanghai 200444, Peoples R China
3.Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China
4.SINTEF Ind, N-7094 Trondheim, Norway
5.CSIRO Mineral Resources, Queensland Ctr Adv Technol, Technol Court, Pullenvale, Qld 4069, Australia
6.Chinese Acad Sci, Anhui Inst Opt & Hyperfine Mech, Anhui Key Lab Photon Devices & Mat, Hefei 230031, Peoples R China
推荐引用方式
GB/T 7714		 Gong, Xiaoye,Wang, Jian,You, Jinglin,et al. Room temperature Raman spectroscopy and Si-29 MAS NMR combined with high temperature Raman spectroscopy and DFT calculation of xMgO-(1-x) CaO-SiO2 glasses and melts[J]. CERAMICS INTERNATIONAL,2022,48.
APA Gong, Xiaoye.,Wang, Jian.,You, Jinglin.,Wang, Min.,Tang, Xiaohui.,...&Zhang, Qingli.(2022).Room temperature Raman spectroscopy and Si-29 MAS NMR combined with high temperature Raman spectroscopy and DFT calculation of xMgO-(1-x) CaO-SiO2 glasses and melts.CERAMICS INTERNATIONAL,48.
MLA Gong, Xiaoye,et al."Room temperature Raman spectroscopy and Si-29 MAS NMR combined with high temperature Raman spectroscopy and DFT calculation of xMgO-(1-x) CaO-SiO2 glasses and melts".CERAMICS INTERNATIONAL 48(2022).

入库方式： OAI收割

来源：合肥物质科学研究院

浏览0
下载0
收藏0
其他版本

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。