【摘要】：目的對(duì)磷酸酯單體10-甲基丙烯酰氧癸二氫磷酸酯(MDP)提高四方相氧化鋯與樹(shù)脂間化學(xué)粘接的作用機(jī)制進(jìn)行解釋。方法分別構(gòu)建MDP、四方相氧化鋯陶瓷晶體以及兩者反應(yīng)的數(shù)字模型,采用熱力學(xué)方法對(duì)MDP分子與四方相氧化鋯晶體簇相互作用的吉布斯自由能和平衡常數(shù)進(jìn)行計(jì)算。結(jié)果 MDP與四方相氧化鋯晶體簇可能發(fā)生單配位形式和雙配位形式的結(jié)合,其吉布斯自由能分別為-147.761和-158.073 k J·mol-1,說(shuō)明MDP能夠與四方相氧化鋯晶體發(fā)生化學(xué)結(jié)合,平衡常數(shù)較高(4.95×1027)的雙配位結(jié)合形式較平衡常數(shù)較低(7.72×1025)的單配位結(jié)合形式更為穩(wěn)定。結(jié)論 MDP能夠通過(guò)與四方相氧化鋯陶瓷以雙配位形式發(fā)生化學(xué)結(jié)合來(lái)提高其與樹(shù)脂的粘接強(qiáng)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.
【作者單位】： 南京醫(yī)科大學(xué)口腔醫(yī)院修復(fù)科;南京醫(yī)科大學(xué)口腔疾病研究江蘇省重點(diǎn)實(shí)驗(yàn)室;南京醫(yī)科大學(xué)口腔醫(yī)院牙體牙髓科;
【基金】：國(guó)家自然科學(xué)基金(81400539) 江蘇高校優(yōu)勢(shì)學(xué)科建設(shè)工程資助項(xiàng)目(2014-37) 江蘇省自然科學(xué)基金(BK20150998,BK20140913) 江蘇省高校自然科學(xué)基金(15KJB320003)~~
【分類號(hào)】：R783.1

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