可生物降解镁基生物材料降解过程的计算模拟
Computational modeling of degradation process of biodegradable magnesium biomaterials
摘要：
尽管在植入物设计中使用可生物降解的金属具有优势，但其不受控制的降解和释放在实际应用中仍然是一个挑战。经过验证的降解过程计算模型可通过改变设计特性来促进植入物生物降解的调整。在这项研究中，一个物理化学模型的开发，通过推导出的数学描述的化学镁生物降解和实施它的三维计算模型。通过贝叶斯优化程序，使用析氢的实验数据校准模型参数。通过比较盐水和缓冲溶液中pH值的预测变化与腐蚀试验中实验获得的值，验证了该模型，显示最大5%的差异，证明了该模型的有效性，可用于实际情况。
英文摘要：
Despite the advantages of using biodegradable metals in implant design, their uncontrolled degradation and release remain a challenge in practical applications. A validated computational model of the degradation process can facilitate the tuning of implant biodegradation by changing design properties. In this study, a physicochemical model was developed by deriving a mathematical description of the chemistry of magnesium biodegradation and implementing it in a 3D computational model. The model parameters were calibrated using the experimental data of hydrogen evolution by performing a Bayesian optimization routine. The model was validated by comparing the predicted change of pH in saline and buffered solutions with the experimentally obtained values from corrosion tests, showing maximum 5% of difference, demonstrating the model's validity to be used for practical cases.
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