Degradation modeling of degradable copolymers for biomimetic scaffolds

Taohong ZHANG; Yue GAO; Lingling ZHU; Qingfeng ZENG; Ming ZHOU

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Degradation modeling of degradable copolymers for biomimetic scaffolds

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Biomimetic scaffolds provide a suitable growth environment for tissue engineering and demonstrate good potential for application in biomedical fields.Different-sized copolymerized biomimetic scaffolds degrade differently,and the degradation rate is affected by the copolymerization ratio.The study of the degradation property is the foundational research necessary for realizing individualized biomimetic scaffold design.The degradation performance of polyesters with different copolymerization ratios has been widely reported;however,the modeling of this performance has been rarely reported.In this research,the degradation of copolymers was studied with multi-scale modeling,in which the copolymers were dispersed in a cellular manner,the chain break time was simulated,and the chain selection was based on the Monte Carlo(MC)algorithm.The probability model of the copolymer's chain break position was established as a//roulette,/model,whose probability values were estimated by the calculation of the potential energy difference at different chain break positions by molecular dynamics that determined the position of chain shear,thereby fully realizing the simulation of the chain micro-break process.The diffusion of the oligomers was then calculated using the macro diffusion equation,and the degradation process of the copolymer was simulated by three-scale coupling calculations.The calculation results were in good agreement with the experimental data,demonstrating the effectiveness of the proposed method.

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《摩擦（英文版）》 |2020年第3期|594-603|共10页
作者
Taohong ZHANG; Yue GAO; Lingling ZHU; Qingfeng ZENG; Ming ZHOU;
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作者单位

Computer Department;

School of Computer&Communication Engineering;

University of Science and Technology Beijing(USTB);

Beijing 100083;

China;

Beijing Key Laboratory of Knowledge Engineering for Materials Science;

Beijing 100083;

China;

State Key Laboratory of Tribology;

School of Mechanical Engineering;

Tsinghua University;

Beijing 100084;

China;

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原文格式 PDF
正文语种 chi
中图分类生物材料学;
关键词
copolymer for biomimetic scaffolds; copolymerization ratio; degradation modeling; multi-scale model; probability model for chain break location;

Degradation modeling of degradable copolymers for biomimetic scaffolds

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