Calcite overgrowth on carboxylated polymers

被引:26
作者
Dousi, E [1 ]
Kallitsis, J [1 ]
Chrissanthopoulos, A [1 ]
Mangood, AH [1 ]
Dalas, E [1 ]
机构
[1] Univ Patras, Dept Chem, GR-26504 Patras, Greece
关键词
computer simulation; nucleation; growth from solutions; minerals;
D O I
10.1016/S0022-0248(03)01091-1
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The kinetics of calcite crystallization on polymers containing -C = O, functional group was investigated by the constant composition method. The apparent order for the crystallization process was found to be 2.2 +/- 0.3 indicative of a surface diffusion controlled mechanism. The number of ions forming the critical nucleus was found to be 3-6. These values were confirmed by quantum mechanical calculations using the PM3 method of the MOPAC program package. The surface energy of the growing phase was found to be 30-32 mJm(-2) approximately. The formation of calcite Was initiated through the interaction of Ca2+ ions with the negative end of the -C = 0 bond as concluded from the quantum mechanical calculations. (C) 2003 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:496 / 503
页数:8
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