ISSN 1008-5548

CN 37-1316/TU

2006年12卷  第1期
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闪锌矿最小纳米化颗粒理论计算

Calculating on Theory of the Smallest Particles of Nanometer Sphaterite

Doi:10.13732/j.issn.1008-5548.2006.01.007
作者:任永鹏,启荣

摘要:为了研究闪锌矿纳米化过程中物理化学性质的变化,从闪锌矿的晶体结构和晶体化学组成的角度出发,依据闪锌矿的晶胞参数、晶胞内原子排列的特点,提出了纳米闪锌矿最小颗粒的假设,从理论上计算出了纳米闪锌矿的最佳尺度约为30nm,纳米闪锌矿的稳定尺寸约为180nm。并对闪锌矿颗粒的晶胞数、原子数、表面晶胞数以及表面原子数进行了计算,得出了闪锌矿的纳米结构参数。

关键词:闪锌矿;纳米结构;晶胞;表面

Abstract:In order to research the changes of physical and chemical properties of nanometer sphaterite,based on crystal structure,crystal chemical composition,cell parameters and atomic arrangement of sphaterite,hypothesis of the smallest particles of nanometer sphaterite were suggested.Calculating result on theory showed that the optimal size of nanometer sphaterite is about 30 nm,and the steadiest dimension about 180 nm.Moreover,crystal cell number,atomicity,surface cell number and surface atomicity in sphaterite granule have also been calculated,and nano-structure parameter of sphalerite have been obtained.

Keywords:sphaterite;nanometer structure;crystal cell;surface