磷酸酯类单体与氧化锆间化学反应模型的建立及作用机制

发布时间：2018-07-21 18:14

【摘要】：目的对磷酸酯单体10-甲基丙烯酰氧癸二氢磷酸酯(MDP)提高四方相氧化锆与树脂间化学粘接的作用机制进行解释。方法分别构建MDP、四方相氧化锆陶瓷晶体以及两者反应的数字模型,采用热力学方法对MDP分子与四方相氧化锆晶体簇相互作用的吉布斯自由能和平衡常数进行计算。结果 MDP与四方相氧化锆晶体簇可能发生单配位形式和双配位形式的结合,其吉布斯自由能分别为-147.761和-158.073 k J·mol-1,说明MDP能够与四方相氧化锆晶体发生化学结合,平衡常数较高(4.95×1027)的双配位结合形式较平衡常数较低(7.72×1025)的单配位结合形式更为稳定。结论 MDP能够通过与四方相氧化锆陶瓷以双配位形式发生化学结合来提高其与树脂的粘接强度。
[Abstract]:Aim to explain the mechanism of increasing the chemical adhesion between tetragonal zirconia and resin by 10-methacrylol-decyl dihydrophosphate (MDP). Methods the digital models of MDP tetragonal zirconia ceramics and their reactions were constructed respectively. The Gibbs free energy and equilibrium constant of the interaction between MDP molecule and tetragonal zirconia crystal cluster were calculated by thermodynamic method. Results the binding of MDP and tetragonal zirconia crystal clusters in single and double coordination forms may occur. The Gibbs free energies of MDP are -147.761 and -158.073 kJ mol -1, respectively, indicating that MDP can combine chemically with tetragonal zirconia crystals. The form of double coordination binding with higher equilibrium constant (4.95 脳 1027) is more stable than that with lower equilibrium constant (7.72 脳 1025). Conclusion MDP can improve the adhesive strength of tetragonal zirconia ceramics by chemical bonding with tetragonal zirconia ceramics in the form of double coordination.
【作者单位】：南京医科大学口腔医院修复科;南京医科大学口腔疾病研究江苏省重点实验室;南京医科大学口腔医院牙体牙髓科;
【基金】：国家自然科学基金(81400539) 江苏高校优势学科建设工程资助项目(2014-37) 江苏省自然科学基金(BK20150998,BK20140913) 江苏省高校自然科学基金(15KJB320003)~~
【分类号】：R783.1

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