globalchange  > 气候变化事实与影响
DOI: 10.1021/acsbiomaterials.9b00015
WOS记录号: WOS:000464241400012
论文题名:
Cellular Automaton Simulation for Degradation of Poly Lactic Acid with Acceleratable Reaction-Diffusion Model
作者: Guo, Chao1; Niu, Yi
通讯作者: Guo, Chao
刊名: ACS BIOMATERIALS SCIENCE & ENGINEERING
ISSN: 2373-9878
出版年: 2019
卷: 5, 期:4, 页码:1771-1783
语种: 英语
英文关键词: PLA ; degradation ; cellular automaton ; acceleratable reaction ; diffusion
WOS关键词: IN-VITRO DEGRADATION ; HYDROLYTIC DEGRADATION ; MOLECULAR-WEIGHT ; SURFACE-AREA ; SCAFFOLDS ; CRYSTALLIZATION ; MECHANISMS ; KINETICS ; SIZE
WOS学科分类: Materials Science, Biomaterials
WOS研究方向: Materials Science
英文摘要:

Biodegradability is a fundamental property of poly lactic acid (PLA). Numerous simulation algorithms based on reaction-diffusion model have been utilized to analyze the degradation behaviors of PLA. In the present work, a cellular automaton (CA) algorithm combined with an acceleratable reaction-diffusion model and coarse-grained kinetic Monte Carlo method is applied to simulate the degradation behaviors of PLA, such as random or end scission and crystallization of PLA chains, diffusion of soluble oligomers. The CA algorithm can reveal the global changes of molecular weight, mass, reaction number and soluble oligomer number generated by hydrolysis as well as the local distributions of molecular weight, soluble oligomer number and cellular state. The calculation result of experiment demonstrates that such a CA model can accurately simulate the change of molecular weight and mass loss simultaneously. The effects of hydrolysis mode, reaction rate constant, diffusion coefficient, device size and pore structure on the degradation behaviors of PLA especially the change in the molecular weight and the famous autocatalysis effect are comprehensively investigated. A novel classification method of molecular weight change curve is presented and the effects of various factors are concluded. In general, big reaction rate constant, small diffusion coefficient, big device size, solid or low porosity, and no or few initial soluble oligomers can more easily generate a type I curve, which corresponds to a strong autocatalysis hydrolysis.


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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/132980
Appears in Collections:气候变化事实与影响

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作者单位: 1.Southeast Univ, Sch Mat Sci & Engn, Nanjing 211189, Jiangsu, Peoples R China
2.Southeast Univ, Jiangsu Key Lab Adv Metall Mat, Nanjing 211189, Jiangsu, Peoples R China

Recommended Citation:
Guo, Chao,Niu, Yi. Cellular Automaton Simulation for Degradation of Poly Lactic Acid with Acceleratable Reaction-Diffusion Model[J]. ACS BIOMATERIALS SCIENCE & ENGINEERING,2019-01-01,5(4):1771-1783
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