Numerical Modelling of Effects of Biphasic Layers of Corrosion Products to the Degradation of Magnesium Metal In Vitro

Magnesium (Mg) is becoming increasingly popular for orthopaedic implant materials. Its mechanical properties are closer to bone than other implant materials, allowing for more natural healing under stresses experienced during recovery. Being biodegradable, it also eliminates the requirement of furth...

Full description

Bibliographic Details
Main Authors: Safia K. Ahmed, John P. Ward, Yang Liu
Format: Article
Language:English
Published: MDPI AG 2017-12-01
Series:Materials
Subjects:
Online Access:https://www.mdpi.com/1996-1944/11/1/1
id doaj-6991ba7203ab47b9a2590961f3075cc9
record_format Article
spelling doaj-6991ba7203ab47b9a2590961f3075cc92020-11-24T21:08:42ZengMDPI AGMaterials1996-19442017-12-01111110.3390/ma11010001ma11010001Numerical Modelling of Effects of Biphasic Layers of Corrosion Products to the Degradation of Magnesium Metal In VitroSafia K. Ahmed0John P. Ward1Yang Liu2Department of Mathematical Sciences, Loughborough University, Loughborough LE11 3TU, UKDepartment of Mathematical Sciences, Loughborough University, Loughborough LE11 3TU, UKDepartment of Mechanical, Electrical and Manufacturing Engineering, Loughborough University, Loughborough LE11 3TU, UKMagnesium (Mg) is becoming increasingly popular for orthopaedic implant materials. Its mechanical properties are closer to bone than other implant materials, allowing for more natural healing under stresses experienced during recovery. Being biodegradable, it also eliminates the requirement of further surgery to remove the hardware. However, Mg rapidly corrodes in clinically relevant aqueous environments, compromising its use. This problem can be addressed by alloying the Mg, but challenges remain at optimising the properties of the material for clinical use. In this paper, we present a mathematical model to provide a systematic means of quantitatively predicting Mg corrosion in aqueous environments, providing a means of informing standardisation of in vitro investigation of Mg alloy corrosion to determine implant design parameters. The model describes corrosion through reactions with water, to produce magnesium hydroxide Mg(OH) 2 , and subsequently with carbon dioxide to form magnesium carbonate MgCO 3 . The corrosion products produce distinct protective layers around the magnesium block that are modelled as porous media. The resulting model of advection–diffusion equations with multiple moving boundaries was solved numerically using asymptotic expansions to deal with singular cases. The model has few free parameters, and it is shown that these can be tuned to predict a full range of corrosion rates, reflecting differences between pure magnesium or magnesium alloys. Data from practicable in vitro experiments can be used to calibrate the model’s free parameters, from which model simulations using in vivo relevant geometries provide a cheap first step in optimising Mg-based implant materials.https://www.mdpi.com/1996-1944/11/1/1magnesiumcorrosionmathematical modelmoving boundariesnumerical solution
collection DOAJ
language English
format Article
sources DOAJ
author Safia K. Ahmed
John P. Ward
Yang Liu
spellingShingle Safia K. Ahmed
John P. Ward
Yang Liu
Numerical Modelling of Effects of Biphasic Layers of Corrosion Products to the Degradation of Magnesium Metal In Vitro
Materials
magnesium
corrosion
mathematical model
moving boundaries
numerical solution
author_facet Safia K. Ahmed
John P. Ward
Yang Liu
author_sort Safia K. Ahmed
title Numerical Modelling of Effects of Biphasic Layers of Corrosion Products to the Degradation of Magnesium Metal In Vitro
title_short Numerical Modelling of Effects of Biphasic Layers of Corrosion Products to the Degradation of Magnesium Metal In Vitro
title_full Numerical Modelling of Effects of Biphasic Layers of Corrosion Products to the Degradation of Magnesium Metal In Vitro
title_fullStr Numerical Modelling of Effects of Biphasic Layers of Corrosion Products to the Degradation of Magnesium Metal In Vitro
title_full_unstemmed Numerical Modelling of Effects of Biphasic Layers of Corrosion Products to the Degradation of Magnesium Metal In Vitro
title_sort numerical modelling of effects of biphasic layers of corrosion products to the degradation of magnesium metal in vitro
publisher MDPI AG
series Materials
issn 1996-1944
publishDate 2017-12-01
description Magnesium (Mg) is becoming increasingly popular for orthopaedic implant materials. Its mechanical properties are closer to bone than other implant materials, allowing for more natural healing under stresses experienced during recovery. Being biodegradable, it also eliminates the requirement of further surgery to remove the hardware. However, Mg rapidly corrodes in clinically relevant aqueous environments, compromising its use. This problem can be addressed by alloying the Mg, but challenges remain at optimising the properties of the material for clinical use. In this paper, we present a mathematical model to provide a systematic means of quantitatively predicting Mg corrosion in aqueous environments, providing a means of informing standardisation of in vitro investigation of Mg alloy corrosion to determine implant design parameters. The model describes corrosion through reactions with water, to produce magnesium hydroxide Mg(OH) 2 , and subsequently with carbon dioxide to form magnesium carbonate MgCO 3 . The corrosion products produce distinct protective layers around the magnesium block that are modelled as porous media. The resulting model of advection–diffusion equations with multiple moving boundaries was solved numerically using asymptotic expansions to deal with singular cases. The model has few free parameters, and it is shown that these can be tuned to predict a full range of corrosion rates, reflecting differences between pure magnesium or magnesium alloys. Data from practicable in vitro experiments can be used to calibrate the model’s free parameters, from which model simulations using in vivo relevant geometries provide a cheap first step in optimising Mg-based implant materials.
topic magnesium
corrosion
mathematical model
moving boundaries
numerical solution
url https://www.mdpi.com/1996-1944/11/1/1
work_keys_str_mv AT safiakahmed numericalmodellingofeffectsofbiphasiclayersofcorrosionproductstothedegradationofmagnesiummetalinvitro
AT johnpward numericalmodellingofeffectsofbiphasiclayersofcorrosionproductstothedegradationofmagnesiummetalinvitro
AT yangliu numericalmodellingofeffectsofbiphasiclayersofcorrosionproductstothedegradationofmagnesiummetalinvitro
_version_ 1716759799835656192