Christie Jamieson K
Department of Materials, Loughborough University, Loughborough LE11 3TU, UK.
Philos Trans A Math Phys Eng Sci. 2023 Oct 16;381(2258):20220345. doi: 10.1098/rsta.2022.0345. Epub 2023 Aug 28.
In order to understand the nature of ionic clustering in bioactive glass compositions, computer simulation was used to model four different compositions of bioactive glass with various amounts of flouride and phosphate. Fluoride ions were chemically bonded only to sodium and calcium, creating regions rich in fluoride and modifiers, and fluoride clustering was seen to be present in all compositions. The majority of phosphate groups are present as orthophosphate and phosphate clustering is also seen, and shown to be stronger in compositions with a lower phosphate content. This article is part of the theme issue 'Exploring the length scales, timescales and chemistry of challenging materials (Part 1)'.
为了了解生物活性玻璃成分中离子聚集的本质，采用计算机模拟对四种不同成分、含有不同量氟化物和磷酸盐的生物活性玻璃进行建模。氟离子仅与钠和钙发生化学键合，形成富含氟化物和改性剂的区域，并且在所有成分中都观察到氟化物聚集现象。大多数磷酸基团以正磷酸盐形式存在，同时也观察到磷酸盐聚集现象，并且在磷酸盐含量较低的成分中表现得更为明显。本文是主题为“探索具有挑战性材料的长度尺度、时间尺度和化学性质（第1部分）”的一部分。
