Modeling the Onset of Phase Separation in CaO-SiO2-CaCl2 Chlorine-Containing Silicate Glasses
发布时间：2018-09-12
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发表刊物：Journal of Physical Chemistry B
摘要：The addition of chlorine into a bioactive glass composition is expected to reduce its abrasiveness and increase its bioactivity, which is important for dental applications such as toothpastes. There is a lack of information. and understanding regarding the structural role of Chlorine in chlorine-containing bioactive silicate glasses. This has prompted classical core shell model molecular dynamics simulations of (50 - x/2)CaO-(50 - x/2)SiO2-xCaCl(2) glasses to be performed, where x ranges from x = 0.0 to 43.1 mol % CaCl2. These tertiary glasses ate advantageous for a fundamental study because t
合写作者：Robert, Natalia; Hill, Xiaojing; Karpukhina, Gavin*; Chen, Laura A.; Mountjoy, Swansbury
论文编号：10.1021/acs.jpcb.7b02986
学科门类：材料科学与工程
卷号：121
期号：22
页面范围：5647-5653
是否译文：否