ATOMISTIC SIMULATION OF CALCITE SURFACES AND THE INFLUENCE OF GROWTH ADDITIVES ON THEIR MORPHOLOGY
ATOMISTIC SIMULATION OF CALCITE SURFACES AND THE INFLUENCE OF GROWTH ADDITIVES ON THEIR MORPHOLOGY
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DOI：
10.1016/0022-0248(93)90205-b
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发表时间：
1993-08-01
影响因子：
1.8
通讯作者：
MANN, S
中科院分区：
文献类型：
--
作者：
TITILOYE, JO;PARKER, SC;MANN, S
基于固体Born模型的原子模拟技术被用来计算方解石晶体的表面能并预测其平衡形态。报道了镁、锂和HpO42-离子添加剂对表面稳定性的影响。这些结果可以用来推断对方解石成核和生长形态的影响。
Atomistic simulation techniques based on the Born model of solids have been used to calculate the surface energies and to predict the equilibrium morphology of calcite crystals. The influence of Mg2+, Li+ and HpO42- ion additives on the surface stability is reported. These results can be used to infer the effect on nucleation, and on the growth morphologies of calcite.