Home

Citation:

Shao Jun*, Tang Zhengquan, Chen Nianyi, Xu Hua

. VORONOI POLYHEDRON IN LiCI MELT[J]. Acta Physico-Chimica Sinica, ;1989, 5(03): 257-259. doi: 10.3866/PKU.WHXB19890301 shu

VORONOI POLYHEDRON IN LiCI MELT

1.

Shanghai University of Science and Technology

Shanghai Institute of Metallurgy, Academia Sinica

Received Date: 8 November 1988
Available Online: 15 June 1989

The results of the moleoular dynanmics simulation of LiCl melt indicate the existence of microscopic holes in molten salt. Some holes are of size comparable to that of Li~+ ion and Cl~- ion. In order to describe the holes in melt better a modified Bernal model has been proposed, in which the centre of the hole with diameter equal or larger than that of Li~+ or Cl~- ion is considered as centre of "virtue" particle, and takes part in the construction of Voronoi polyhedron. It can be seen from our calculation: 1, the Voronoi polyhedron in LiCl melt is more complex than that of the simple liquid; 2, the Voronoi polyhedron of Cl~- ion is more complex than that of Li~+ ion; 3, the face of the Voronoi polyhedron can be observed clearly in the Voronoi polyhedron of Cl~- ion; 4, the Voronoi polyhedron of hole with the diameter near equal to Li~+ ion is more complex than that of Li~+ ion, while the Voronoi polyhedron of the hole with the diameter equalto that of Cl~- ion has the similar geomitrical behaviour as that of Cl~- ion. The reason of above phenomena is discussed briefly.
1. [1]
  Huafeng SHI . Construction of MnCoNi layered double hydroxide@Co-Ni-S amorphous hollow polyhedron composite with excellent electrocatalytic oxygen evolution performance. Chinese Journal of Inorganic Chemistry, 2025, 41(7): 1380-1386. doi: 10.11862/CJIC.20240378
2. [2]
  Xingyuan Lu , Yutao Yao , Junjing Gu , Peifeng Su . Energy Decomposition Analysis and Its Application in the Many-Body Effect of Water Clusters. University Chemistry, 2025, 40(3): 100-107. doi: 10.12461/PKU.DXHX202405074
3. [3]
  Xiaolei Jiang , Fangdong Hu . Exploring the Mirror World in Organic Chemistry: the Teaching Design of “Enantiomers” from the Perspective of Curriculum and Ideological Education. University Chemistry, 2024, 39(10): 174-181. doi: 10.3866/PKU.DXHX202402052
4. [4]
  Hanmei Lü , Xin Chen , Qifu Sun , Ning Zhao , Xiangxin Guo . Uniform Garnet Nanoparticle Dispersion in Composite Polymer Electrolytes. Acta Physico-Chimica Sinica, 2024, 40(3): 2305016-0. doi: 10.3866/PKU.WHXB202305016
5. [5]
  Zhao Lu , Hu Lv , Qinzhuang Liu , Zhongliao Wang . Modulating NH₂ Lewis Basicity in CTF-NH₂ through Donor-Acceptor Groups for Optimizing Photocatalytic Water Splitting. Acta Physico-Chimica Sinica, 2024, 40(12): 2405005-0. doi: 10.3866/PKU.WHXB202405005
6. [6]
  Gonglan Ye , Xia Yin , Feng Xu , Peng Yang , Yingpeng Wu , Huilong Fei . Innovations in “Four-in-One” Inorganic Chemistry Education. University Chemistry, 2024, 39(8): 136-141. doi: 10.3866/PKU.DXHX202401071
7. [7]
  Zhexue Lu , Ping Wu , Huihui Li , Libai Wen . 四“味”一体的无机及分析化学课程思政. University Chemistry, 2025, 40(6): 333-340. doi: 10.12461/PKU.DXHX202405196
8. [8]
  Jianquan Liu , Xiangshan Wang . Teaching Design and Practice of Naming Rules for Circular Isomer Configuration under the Guidance of Information Literacy. University Chemistry, 2025, 40(7): 352-358. doi: 10.12461/PKU.DXHX202409082
9. [9]
  Liang TANG , Jingfei NI , Kang XIAO , Xiangmei LIU . Synthesis and X-ray imaging application of lanthanide-organic complex-based scintillators. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1892-1902. doi: 10.11862/CJIC.20240139
10. [10]
  Chengbin Gong , Guona Zhang , Qian Tang , Hong Lei , Ling Kong , Wenshan Ren . Development of a Practical Teaching System for the Applied Chemistry Major Emphasizing “Industry-Education Integration, University-Enterprise Cooperation, and Multi-Dimensional Combination”. University Chemistry, 2024, 39(6): 220-225. doi: 10.3866/PKU.DXHX202309104
11. [11]
  Zhixin Zhou , Ran Chen , Yuanjian Zhang , Songqin Liu , Yanfei Shen . 分析化学课程本硕一体化的全英文教学改革. University Chemistry, 2025, 40(6): 64-70. doi: 10.12461/PKU.DXHX202407093
12. [12]
  Jiaxuan Zuo , Kun Zhang , Jing Wang , Xifei Li . Nucleation Regulation and Mechanism of Precursors for Nickel Cobalt Manganese-based Cathode Materials in Lithium-Ion Batteries. Acta Physico-Chimica Sinica, 2025, 41(1): 100009-0. doi: 10.3866/PKU.WHXB202404042
13. [13]
  Yuqiong Li , Bing Lan , Bin Guan , Chunlong Dai , Fan Zhang , Zifeng Lin . Molten Salt Derived Mo₂CT_x MXene with Excellent Catalytic Performance for Hydrogen Evolution Reaction. Acta Physico-Chimica Sinica, 2024, 40(9): 2306031-0. doi: 10.3866/PKU.WHXB202306031
14. [14]
  Yufan ZHAO , Jinglin YOU , Shixiang WANG , Guopeng LIU , Xiang XIA , Yingfang XIE , Meiqin SHENG , Feiyan XU , Kai TANG , Liming LU . Raman spectroscopic quantitative study of the melt microstructure in binary Li₂O-GeO₂ functional crystals. Chinese Journal of Inorganic Chemistry, 2025, 41(8): 1533-1544. doi: 10.11862/CJIC.20250063
15. [15]
  Jiahong ZHENG , Jingyun YANG . Preparation and electrochemical properties of hollow dodecahedral CoNi₂S₄ supported by MnO₂ nanowires. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1881-1891. doi: 10.11862/CJIC.20240170
16. [16]
  Lijun Huo , Mingcun Wang , Tianyi Zhao , Mingjie Liu . Exploration of Undergraduate and Graduate Integrated Teaching in Polymer Chemistry with Aerospace Characteristics. University Chemistry, 2024, 39(6): 103-111. doi: 10.3866/PKU.DXHX202312059
17. [17]
  Conghao Shi , Ranran Wang , Juli Jiang , Leyong Wang . The Illustration on Stereoisomers of Macrocycles Containing Multiple Chiral Centers via Tröger Base-based Macrocycles. University Chemistry, 2024, 39(7): 394-397. doi: 10.3866/PKU.DXHX202311034
18. [18]
  Qiying Xia , Guokui Liu , Yunzhi Li , Yaoyao Wei , Xia Leng , Guangli Zhou , Aixiang Wang , Congcong Mi , Dengxue Ma . Construction and Practice of “Teaching-Learning-Assessment Integration” Model Based on Outcome Orientation: Taking “Structural Chemistry” as an Example. University Chemistry, 2024, 39(10): 361-368. doi: 10.3866/PKU.DXHX202311007
19. [19]
  Renqing Lü , Shutao Wang , Fang Wang , Guoping Shen . Computational Chemistry Aided Organic Chemistry Teaching: A Case of Comparison of Basicity and Stability of Diazine Isomers. University Chemistry, 2025, 40(3): 76-82. doi: 10.12461/PKU.DXHX202404119
20. [20]
  Zhongyan Cao , Shengnan Jin , Yuxia Wang , Yiyi Chen , Xianqiang Kong , Yuanqing Xu . Advances in Highly Selective Reactions Involving Phenol Derivatives as Aryl Radical Precursors. University Chemistry, 2025, 40(4): 245-252. doi: 10.12461/PKU.DXHX202405186

Get Citation

PDF

XML

Metrics

PDF Downloads(2216)
Abstract views(2186)
HTML views(26)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return