期刊文献+

碱金属卤化物的势函数及其参数 被引量:1

Interionic potentials and their parameters in the alkali halides
下载PDF
导出
摘要 比较了碱金属卤化物的Fumi-Tosi势参数值,发现不同两组Fumi-Tosi势Born排斥参数其实质上是一致的;两种VanderWaals参数差别很大,其中Mayer参数不甚正确而Jain等参数较好.文中给出了较为规范的碱金属卤化物互易系的Fumi-Tosi势参数. Tracing the Tumi-Tosi potential parameters of pure alkali halide,it is have found that the different two groups of Fumi-Tosi repulsive parameters are the same in substance while two Van der Waals parameters are quite discriminating. That is to say, parameters calculated by Mayer are not accurate while those calculated by Jain are quite suitable. The normative Tumi-Tosi potential parameters of mixed alkali halides are listed.
出处 《广西大学学报(自然科学版)》 CAS CSCD 2004年第3期202-206,共5页 Journal of Guangxi University(Natural Science Edition)
基金 国家自然科学基金(50171023) 教育部科学技术研究重点项目(03104)
关键词 碱金属卤化物 Fumi-Tosi势 势参数 alkali halide Fumi-Tosi potential potential parameters
  • 相关文献

参考文献15

  • 1邵俊 徐桦.熔融碱卤化物系统的分子动力学模拟(Ⅱ)[J].上海科技大学学报,1988,11(2):61-66. 被引量:2
  • 2M P Tosi,F G Fumi.Ionic sizes and born repulsive parameters in the NaCl-Type alkali halides-II [J].J Phys Chem Solids,1964,25:45-52. 被引量:1
  • 3B Larsen.A Monte Carlo calculation of thermodynamic properties for the liquid NaCl+KCl mixture [J].Mole Phy,1973,26(6):1 521-1 532. 被引量:1
  • 4C Caccamc,M Dixon.Molten alkali-halide mixture:a molecular-dynamics study of Li/KCl mixtures [J].J Phys C:Solid St Phys,1980,13:1 887-1 900. 被引量:1
  • 5M J L Sangster,M Dixon.Interionic potentials in alkali halides and their use in simulations of the molten salts [J].Adv Phys,1976,25(3):247-342. 被引量:1
  • 6M Dixon,M J L Sangster.Computer simulation study of the structural properties of molten caesium halides [J].J Phys C: Solid State Phys,1977,10:3 015-3 022. 被引量:1
  • 7L Pauling.The Nature of the Chemical Bond [M].New York:Cornell University Press,1960. 被引量:1
  • 8F Hajj.Van der Waals coefficients for the alkali halides from optical data [J].J Chem Phys,1966,44:4 618-4 620. 被引量:1
  • 9J K Jain,J Shanker.Evaluation of Van der Waals dipole-dipole and dipole-quadrupole energies in alkali halides [J].Phys Rev B,1976,13:2 692-2 695. 被引量:1
  • 10F Lantelme,P Turq.Ionic dynamics in the LiCl-KCl system at liquid state [J].J Chem Phys,1982,77(6):3 177-3 187. 被引量:1

二级参考文献10

共引文献5

引证文献1

二级引证文献1

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部