NaCl晶体离子势能计算结果的分析与研究  

The Calculated Results Investigation of NaCl Crystal Anionic Potential Energy

作　　者：刘静宇[1] 傅圣利[2] 李义和[2] 

机构地区：[1]长沙大学理化系,长沙410003 [2]国防科学技术大学材料工程与应用化学系,长沙410073

出　　处：《计算机与应用化学》2000年第3期267-270,共4页Computers and Applied Chemistry

摘　　要：以NaCl晶格点阵为模型 ,应用计算机计算格点离子的势能 ;在此基础上比较了内层离子和表面层离子势能的大小 ,分析了表面层离子的稳定性及表面吸附离子的活性 ;同时 ,研究了晶体大小对晶格离子稳定性和表面活性的影响。The anionic potential energy on NaCl crystal lattice was calculated applying computer, the potential energy of inner anions and surface anions were compared, and the activity of absorbed anions was discussed. In the meantime, the influence to anionic stability and surface activity of the crystal size were investigated.

关 键 词：离子势能 晶体稳定性 氯化钠 晶格 势能 

分 类 号：O614.112[理学—无机化学] O641[理学—化学]