【摘要】：為了從微觀分子相互作用層面研究三維打印骨支架工藝中的粉末粘結(jié)機(jī)理及本質(zhì),本文采用分子動(dòng)力學(xué)的模擬仿真方法,分別從內(nèi)聚能密度結(jié)合能、對(duì)關(guān)聯(lián)函數(shù)、力學(xué)性能等方面對(duì)目前應(yīng)用較多的PVP、PAM、PVA三種粘結(jié)劑的性能進(jìn)行了研究,并將所得結(jié)果進(jìn)行了分析和比較。仿真結(jié)果表明,三種粘結(jié)劑與HA相互作用模型的界面結(jié)合能的大小關(guān)系與粘結(jié)劑本身的內(nèi)聚能密度大小關(guān)系一致,即PAMPVAPVP;粘結(jié)劑高分子與羥基磷灰石(Hydroxyapatite,HA)的對(duì)關(guān)聯(lián)函數(shù)分析表明,粘結(jié)劑與HA發(fā)生相互作用主要是通過高聚物中的極性官能基團(tuán)與HA中的Ca原子、羥基發(fā)生作用形成離子鍵、氫鍵,且離子鍵作用強(qiáng)度較大;此外,三種相互作用模型各個(gè)方向的力學(xué)性能較單一HA有所降低,且相互作用模型力學(xué)性能的優(yōu)劣關(guān)系為PVA/HAPAM/HAPVP/HA,這一結(jié)論與結(jié)合能的大小關(guān)系并不完全一致,這說明相互作用模型的力學(xué)性能與粘結(jié)劑的粘性并不存在特定的內(nèi)在關(guān)系。
[Abstract]:In order to study the mechanism and essence of powder bonding in 3D printed bone scaffold process from the aspect of microscopic molecular interaction, the properties of three kinds of PVP,PAM,PVA binders, which are widely used at present, are studied from the aspects of cohesion energy density binding energy, correlation function and mechanical properties, and the results are analyzed and compared in this paper. The simulation results show that the relationship between the interfacial binding energy of the three binder and HA interaction model is consistent with the cohesion energy density of the binder itself, that is, PAMPVAPVP;. The analysis of the correlation function between binder polymer and hydroxyapatite (Hydroxyapatite,HA) shows that the interaction between binder and HA is mainly through the interaction of polar functional groups in polymers with Ca atoms in HA. Hydroxyl groups interact with each other to form ion bonds, hydrogen bonds, and the interaction strength of ion bonds is large. In addition, the mechanical properties of the three interaction models in all directions are lower than those of a single HA, and the relationship between the mechanical properties of the interaction model and the binding energy is not completely consistent with the relationship between the mechanical properties of the interaction model and the binding energy, which indicates that there is no specific internal relationship between the mechanical properties of the interaction model and the stickiness of the binder.
【作者單位】： 西北工業(yè)大學(xué)機(jī)電學(xué)院;西北工業(yè)大學(xué)現(xiàn)代設(shè)計(jì)與集成制造技術(shù)教育部重點(diǎn)實(shí)驗(yàn)室;
【基金】：國家自然科學(xué)基金51175432 教育部高校博士點(diǎn)專項(xiàng)科研基金20116102110046 中央高校基礎(chǔ)研究基金資助項(xiàng)目3102014JCS05007 陜西省工業(yè)科技攻關(guān)項(xiàng)目2015GY047~~
【分類號(hào)】：TB383.4

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