computer simulation;
nucleation;
growth from solutions;
minerals;
D O I:
10.1016/j.jcrysgro.2005.02.074
中图分类号:
O7 [晶体学];
学科分类号:
0702 ;
070205 ;
0703 ;
080501 ;
摘要:
The nucleation and further crystallization of calcite on oxadiazole-terpyridine copolymer were investigated by the constant composition method. The apparent order of the crystallization process was found to be 2.3 +/- 0.2 indicative of a surface diffusion-controlled spiral growth mechanism. The number of ions forming the critical nucleus was found experimentally to be (n* =) 3 in accordance with the simulation by the PM3 method included in the MOPAC program package. The surface energy of the growing phase was found to be 29.5 mJ m(-2). (c) 2005 Elsevier B.V. All rights reserved.