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
Quantitative studies on the structure of xCaO center dot(1-x)SiO2 glasses and melts by in-situ Raman spectroscopy, Si-29 MAS NMR and quantum chemistry ab initio calculation

文献类型：期刊论文

作者Ma, Jinjin2,3,4; Wang, Min2,3,4; You, Jinglin2,3,4; Tang, Kai5; Lu, Liming6; Wan, Songming1; Wang, Jian2,3,4; Gong, Xiaoye2,3,4; Wang, Yongchun2,3,4
刊名JOURNAL OF NON-CRYSTALLINE SOLIDS
出版日期2020-10-15
卷号546
ISSN号0022-3093
关键词In-situ Raman spectroscopy Si-29 MAS NMR Ab initio calculation Quantitative analysis Microstructure
DOI10.1016/j.jnoncrysol.2020.120252
通讯作者You, Jinglin(jlyou@staff.shu.edu.cn)
英文摘要The quantitative distribution of different Q(i) species in binary calcium silicate glasses and their melts has been investigated by in-situ high temperature Raman spectroscopy, Si-29 MAS NMR and quantum chemistry (QC) ab initio calculations. The structural units and several cluster structure models have been designed, optimized and calculated by ab initio calculations. The attribution of their vibrational modes, vibrational wavenumbers of non-bridging silicon-oxygen (Si-O-nb) and Raman scattering cross sections (SCS) have then been worked out and analyzed. The functional relationship between the SCS and stress index of silicon-oxygen tetrahedron (SIT) was established for the model clusters of delicate Q(i). Quantitative distributions of Q(i) in calcium silicate glasses and melts are finally obtained which are in good agreement with the experimental results of Si-29 MAS NMR. Although the primary structure present in calcium silicate glasses and melts is the same, the relative distribution of Q(i) is different. On the basis of the present work, it will be helpful to predict the physicochemical properties of silicate slag.
WOS关键词SODIUM-BORATE GLASSES ; SILICATE-GLASSES ; ALUMINOSILICATE GLASSES ; BULK COMPOSITION ; HIGH-RESOLUTION ; TEMPERATURE ; SPECTRA ; SLAG ; VISCOSITY ; CAO-SIO2
资助项目National Natural Science Foundation of China[21773152] ; National 111 Project[D17002] ; Shanghai Committee of Science and Technology Fund[12520709200] ; China Postdoctoral Science Foundation[2019M661460] ; State Key Laboratory of Advanced Special Steel, Shanghai University[SKLASS2017-02] ; State Key Laboratory of Advanced Special Steel, Shanghai University[SKLASS2018-03] ; Independent Research and Development Project of State Key Laboratory of Advanced Special Steel[SKLASS 2016-Z01] ; Shanghai Municipality for Science and Technology Development[YDZX20173100001316] ; CSIRO Minerals Down Under Flagship of Australia
WOS研究方向Materials Science
语种英语
出版者ELSEVIER
WOS记录号WOS:000567816900003
资助机构National Natural Science Foundation of China ; National 111 Project ; Shanghai Committee of Science and Technology Fund ; China Postdoctoral Science Foundation ; State Key Laboratory of Advanced Special Steel, Shanghai University ; Independent Research and Development Project of State Key Laboratory of Advanced Special Steel ; Shanghai Municipality for Science and Technology Development ; CSIRO Minerals Down Under Flagship of Australia
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/104030]  
专题中国科学院合肥物质科学研究院
通讯作者You, Jinglin
作者单位1.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Anhui Key Lab Photon Devices & Mat, Hefei 230031, Peoples R China
2.Shanghai Univ, State Key Lab Adv Special Steel, Shanghai 200444, Peoples R China
3.Shanghai Univ, Shanghai Key Lab Adv Ferromet, Shanghai 200444, Peoples R China
4.Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China
5.SINTEF Ind, N-7094 Trondheim, Norway
6.CSIRO Mineral Resources, Technol Court, Pullenvale, Qld 4069, Australia
推荐引用方式
GB/T 7714		 Ma, Jinjin,Wang, Min,You, Jinglin,et al. Quantitative studies on the structure of xCaO center dot(1-x)SiO2 glasses and melts by in-situ Raman spectroscopy, Si-29 MAS NMR and quantum chemistry ab initio calculation[J]. JOURNAL OF NON-CRYSTALLINE SOLIDS,2020,546.
APA Ma, Jinjin.,Wang, Min.,You, Jinglin.,Tang, Kai.,Lu, Liming.,...&Wang, Yongchun.(2020).Quantitative studies on the structure of xCaO center dot(1-x)SiO2 glasses and melts by in-situ Raman spectroscopy, Si-29 MAS NMR and quantum chemistry ab initio calculation.JOURNAL OF NON-CRYSTALLINE SOLIDS,546.
MLA Ma, Jinjin,et al."Quantitative studies on the structure of xCaO center dot(1-x)SiO2 glasses and melts by in-situ Raman spectroscopy, Si-29 MAS NMR and quantum chemistry ab initio calculation".JOURNAL OF NON-CRYSTALLINE SOLIDS 546(2020).

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。