期刊文献+

碱金属卤化物的势函数及其参数

Interionic Potentials and their Parameters in the Alkali Halides
下载PDF
导出
摘要 讨论了碱金属卤化物的Fumi-Tosi势函数,综合有关文献给出较为常用的纯碱金属卤化物的势参数值,在此基础上,初步讨论了混合系碱金属卤化物的Fumi-Tosi势参数的取值。 The Fumi-Tosi potentials of the alkali halides are outlined, and parameters of the individual alkali halides are shown which are extensively applied. The procedure for obtaining the mixtures' parameters of the Fumi-Tosi potentials of the alkali halides is preliminarily discussed.
作者 朱素华
出处 《常熟高专学报》 2003年第4期53-58,共6页 Journal of Changshu College
关键词 碱金属卤化物 Ftmai—Tosi势函数 Ftmai—Tosi势参数 热力学性质 the alkali halide the Fumi-Tosi potential parameters of the potential
  • 相关文献

参考文献14

  • 1M L Huggins, J E Mayer. Interatomic Distance in Crystals of the Alkali Halides[J]. Chem Phys, 1933,1:643 - 645.
  • 2F G Fumi, M P Tosi. Ionic Sizes and Born Repulsive Parameters in the NaCI - Type Alkali Halides - I [J]. Phys Chem Solids, 1964,25 :31 - 43.
  • 3M P Tosi, F G Fumi. Ionic Sizes and Born Repulsive Parameters in the NaCI - Type Alkali Flalides - II[J], Phys Chem Solids, 1964,25 :45 - 52.
  • 4M J L Sangster,M Dixon. Interionic potentials in alkali halides and their use in simulations of the molten salts[J ]. Adv Phys, 1976,25 :247 - 342.
  • 5M Dixon,M J L Sangster. Computer simulation study of the structural properties of molten caesium halides[J]. Phys C:Solid State Phys, 1977,10:3015 - 3022.
  • 6徐桦 程兆年.分子动力学方法Ⅲ:互易熔盐系MD程序在IBM4341机上的实现[J].科技通讯,1987,2:32-32.
  • 7J E Mayer. Dispersion and Polarizability and the van der Waals Potential in the Alkali Halides[J]. China Phys, 1933,1 : 270 - 279.
  • 8L Pauling.The nature of the chemical bond[M]. Cornell University Press, 1960.
  • 9F Hajj. Van der Waals Coefficients for the Alkali Halides from Optical Data[J]. Chem Phys, 1966,44:4618- 4620.
  • 10J K Jain,J Shanker. Evaluation of Van der Waals dipole - dipole and dipole - quadrupole energies in alkali halides[J]. Phys Rev B, 1976,13 : 2692 - 2695.

二级参考文献10

  • 1黄世萍,马彦会,唐波,徐桦,陈念贻.NaCl-NaBr系熔盐溶液的分子动力学研究[J].物理化学学报,1994,10(11):1045-1048. 被引量:6
  • 2陈念贻,1988年
  • 3陈念贻,J Comput Math,1987年,30卷,1029页
  • 4Saboung M L,Rahman A,Blander M J.Molecular dynamics of complexing in binary molten salts,Ⅰ Molten NaX4 [J].J Chem Phys,1984,5:2 141-2 145.
  • 5Lantelme F,Turq P.Ionic dynamics in the LiCl-KCl system at liquid state [J].J Chem Phys,1982,77:3 177-3 181.
  • 6Fumi F G,Tosi M P.Ionic sizes and born repulsive parameters in the NaCl-type alkali halides-Ⅱ [J].J Phys Chem Solids,1964,25:45-49.
  • 7Anastasion N,Fincham D.Program for the dynamic simulation of liquids and solids: rigid ion using the Ewald sum [J].Computer Phys Commun,1982,25:189-195.
  • 8Sangster J,Pelton A D.Phase diagrams and thermodynamic properties of the 70 binary alkali halide systems having common ions [J].J Phys Chem Ref data,1987,16:511-561.
  • 9徐桦,陈念贻,邵俊,舒光裕.不同温度下熔融LiCl系统的分子动力学模拟计算[J].Chinese Journal of Chemical Physics,1989,2(1):75-77. 被引量:4
  • 10邵俊,舒光裕,徐桦,陈念贻.MOLECULAR DYNAMICS CALCULATION OF MOLTEN LiF, KC1 AND LiF-KCl(1:1) SYSTEM[J].Chinese Physics Letters,1989,6(10):448-450. 被引量:1

共引文献5

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