无定形碳酸钙
成核
碳酸钙
方解石
碳酸盐
化学
钙
无定形固体
羧酸盐
无机化学
化学工程
矿物学
结晶学
有机化学
工程类
作者
Paolo Raiteri,Raffaella Demichelis,Julian D. Gale,Matthias Kellermeier,Denis Gebauer,David Quigley,Louise B. Wright,Tiffany R. Walsh
摘要
Organic additives are well known to influence the nucleation and growth of minerals. A combination of experimental and theoretical methods has been used to probe how three simple additives, containing varying numbers of carboxylate groups, influence the early stages of the growth of calcium carbonate. Computationally, the free energy landscape has been examined for each additive binding to Ca2+, the calcium carbonate ion pair, the surface of an amorphous calcium carbonate nanoparticle, and the basal plane of calcite. The different influence of the three organic ligands on the early stages of growth of calcium carbonate observed experimentally can be rationalised in terms of the degree of association of each anion with the species present prior to, and immediately after nucleation.
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