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The structure of PbCl2 on the {100} surface of NaCl and its consequences for crystal growth
The Journal of Chemical Physics ( IF 3.1 ) Pub Date : 2018-04-09 , DOI: 10.1063/1.5026455
Eleanor R. Townsend 1 , Sander J. T. Brugman 1 , Melian A. R. Blijlevens 1 , Mireille M. H. Smets 1 , Wester de Poel 1 , Willem J. P. van Enckevort 1 , Jan A. M. Meijer 2 , Elias Vlieg 1
Affiliation  

The role that additives play in the growth of sodium chloride is a topic which has been widely researched but not always fully understood at an atomic level. Lead chloride (PbCl2) is one such additive which has been reported to have growth inhibition effects on NaCl {100} and {111}; however, no definitive evidence has been reported which details the mechanism of this interaction. In this investigation, we used the technique of surface x-ray diffraction to determine the interaction between PbCl2 and NaCl {100} and the structure at the surface. We find that Pb2+ replaces a surface Na+ ion, while a Cl ion is located on top of the Pb2+. This leads to a charge mismatch in the bulk crystal, which, as energetically unfavourable, leads to a growth blocking effect. While this is a similar mechanism as in the anticaking agent ferrocyanide, the effect of PbCl2 is much weaker, most likely due to the fact that the Pb2+ ion can more easily desorb. Moreover, PbCl2 has an even stronger effect on NaCl {111}.

中文翻译:

NaCl {100}表面上的PbCl2的结构及其对晶体生长的影响

添加剂在氯化钠生长中的作用是一个广泛研究的话题,但在原子水平上并不总是被完全理解。氯化铅(PbCl 2)是一种这样的添加剂,据报道对NaCl {100}和{111}具有生长抑制作用。但是,没有确切的证据报道这种相互作用的机理。在这项研究中,我们使用了表面X射线衍射技术来确定PbCl 2和NaCl {100}之间的相互作用以及表面结构。我们发现,铅2+取代了表面的Na +离子,而氯-离子位于铅的顶部2+。这导致块状晶体中的电荷失配,这在能量上不利,从而导致生长阻挡作用。尽管这是与抗结块剂亚铁氰化物相似的机理,但PbCl 2的作用要弱得多,这很可能是由于Pb 2+离子更容易解吸的事实。而且,PbCl 2对NaCl {111}具有甚至更强的作用。
更新日期:2018-04-14
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