临床口腔医学杂志2012，Vol.28Issue(6)：328-332,5.DOI:10.3969/j.issn.1003-1634.2012.06.004
羟基磷灰石溶解机理的研究
Studies on Mechanism of Hydroxyapatite Dissolution
摘要
Abstract
Objective: In this paper, the mechanism of hydroxyapatite (HAp) dissolution is studied. Method: First, molecular dynamics (MD) is used to simulate the dissolution process of HAp in water. Then, the Zeta-potentials varying with pH value of the solutions and the experimental results about the removal of aqueous lead ions by HAp are used to verify the simulation. Result: The simulations show that the detachment of hydroxyl groups from surface of HAp occur during the dissolution process, because of which the calcium ions in the surface layer of HAp dissolve into water. The simulations also show that the reversal of hydroxyl groups in subsurface layer of HAp occur to be at an angle to c axis. Also, the surface phosphate groups are free and the P-0 bonds incline downward from c axis. The dissolution make the surface potentials of HAp be negative. Conclusion: The Zeta-potentials and the experimental results verify the simulation.关键词
羟基磷灰石/溶解/分子动力学/Zeta电位/重金属离子Key words
hydroxyapatite/ dissolution/molecular dynamics:Zeta potentials/heavy metal ions分类
医药卫生引用本文复制引用
黄远,李彦秋,何芳,王玉林..羟基磷灰石溶解机理的研究[J].临床口腔医学杂志,2012,28(6):328-332,5.基金项目
天津市科技发展计划重点攻关项目(043185111-2) （043185111-2）
