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首页> 外文期刊>CERAMICS INTERNATIONAL >Molecular dynamics simulation and experimental study of the bonding properties of polymer binders in 3D powder printed hydroxyapatite bioceramic bone scaffolds
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Molecular dynamics simulation and experimental study of the bonding properties of polymer binders in 3D powder printed hydroxyapatite bioceramic bone scaffolds

机译：三维粉末印刷羟基磷灰石骨支架中聚合物粘合剂粘结性能的分子动力学模拟及实验研究

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摘要

Binder properties are a key factor affecting the quality of bone scaffolds produced using 3D powder printing. In this research, molecular dynamics simulation (MD) and experimental methods were applied to study the cohesive energy density, mechanical properties, bonding behavior, and surface morphology of three polymer binders (PVP, PAM, PVA) employed in the 3D fabrication of hydroxyapatite (HA) bone scaffolds. The bonding mechanisms of the three polymer binders were revealed by analyzing the interaction between the binders and the HA surface. The binding energies between the binders and HA are associated with the cohesive energy density and viscosity of each of the binders, which are attributed to functional groups in the binders. The mechanical properties determined experimentally for the bone scaffolds produced using each of the three polymer binders were in a different relative order than the engineering modulus of the binders and the interaction between the binders and HA calculated in simulations. This is a reflection of the mechanical properties of bone scaffolds being a comprehensive reflection of the basic materials and their bonding effect. Finally, SEM imaging indicated additional factors affecting the mechanical properties and degradation rate of the scaffolds. Conclusions from this work can be used to forecast the properties of three commonly used polymer binders and provide a theoretical basis for the choice of binders in the production of 3DP-fabricated bone scaffolds.
机译：粘合剂性质是影响使用3D粉末印刷产生的骨支架质量的关键因素。在该研究中，应用分子动力学模拟（MD）和实验方法研究三种聚合物粘合剂（PVP，PAM，PVA）的粘合能量密度，机械性能，粘合行为和表面形态（PVP，PAM，PVA），所述羟基磷灰石（哈）骨脚手架。通过分析粘合剂和HA表面之间的相互作用来揭示三种聚合物粘合剂的粘合机制。粘合剂和HA之间的结合能与每个粘合剂的粘性能量密度和粘度相关联，其归因于粘合剂中的官能团。实验用于使用三种聚合物粘合剂产生的骨支架确定的机械性能与粘合剂的工程模量不同的相对阶数，并且在模拟中计算的粘合剂和HA之间的相互作用。这是骨支架的力学性能的反映，这是基本材料的综合反映及其粘合效果。最后，SEM成像表明了影响支架的机械性能和降解速率的额外因素。从这项工作的结论可用于预测三种常用的聚合物粘合剂的性质，并为在制造3DP制造的骨支架中选择粘合剂提供理论依据。

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