School of Science, Nanjing University of Technology, Nanjing 210009, PR China.
J Colloid Interface Sci. 2012 Jul 1;377(1):430-7. doi: 10.1016/j.jcis.2012.02.069. Epub 2012 Mar 23.
The effects of sulfate and BHTPMP (Bis (hexamethylene) triaminepentakis (methylene phosphonic acid)) on the crystallization rate, phase composition and morphology of calcium carbonate have been studied. It was observed that sulfate reduces the nucleation rate and favors the formation of aragonite form in the calcium carbonate precipitate. Moreover, in the presence of sulfate the rhombohedral morphology of the calcite crystals is modified, and during the formation of calcite, the development of {104} faces are more significantly prohibited than {110} faces. In the presence of sulfate together with BHTPMP, the crystallization process is inhibited and the modified morphology and the dominant calcite form are observed in the solid. The results from molecular dynamics simulations show the more strong combination of sulfate with calcite surface, in particular the {104} face, in comparison with the aragonite surface. The strong interaction of BHTPMP with sulfate and the aragonite surface favors the formation of the dominant calcite phase in the precipitate.
研究了硫酸盐和 BHTPMP（双（六亚甲基）三胺五亚甲基膦酸）对碳酸钙结晶速率、相组成和形态的影响。结果表明，硫酸盐降低了碳酸钙沉淀的成核速率，有利于形成方解石形式。此外，在硫酸盐存在的情况下，方解石晶体的菱形形态发生了变化，在方解石形成过程中，{104}面的发育比{110}面受到更显著的抑制。在硫酸盐与 BHTPMP 共存的情况下，结晶过程受到抑制，在固体中观察到了改性形态和主要的方解石形式。分子动力学模拟的结果表明，与方解石表面相比，硫酸盐与方解石表面（特别是{104}面）的结合更强。BHTPMP 与硫酸盐和方解石表面的强相互作用有利于沉淀中主要方解石相的形成。
