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Calcite overgrowth on carboxylated polymers

机译:方解石在羧化聚合物上的过度生长

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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 mJ m~(-2) approximately. The formation of calcite was initiated through the interaction of Ca~(2+) ions with the negative end of the -C = O bond as concluded from the quantum mechanical calculations.
机译:通过恒定组成法研究了在含-C = O,官能团的聚合物上方解石结晶的动力学。发现结晶过程的表观顺序为2.2±0.3,表明表面扩散受控机制。发现形成临界核的离子数为3-6。这些值通过使用MOPAC程序包的PM3方法的量子力学计算来确认。发现生长相的表面能约为30-32 mJ m〜(-2)。方解石的形成是由Ca〜(2+)离子与-C = O键负端的相互作用引发的,这是由量子力学计算得出的结论。

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