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YewYK Thesis

YewYK Thesis

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Published by: henchik on Apr 03, 2011
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02/20/2013

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MODEL DEVELOPMENT FOR NUMERICALSIMULATION OF THE BEHAVIORS OF pH-STIMULUSRESPONSIVE HYDROGELSYEW YONG KIN
 
(B.Eng. (Hons.), Universiti Teknologi Malaysia)
A THESIS SUBMITTEDFOR THE DEGREE OF DOCTOR OF PHILOSOPHYDEPARTMENT OF MECHANICAL ENGINEERINGNATIONAL UNIVERSITY OF SINGAPORE2006
 
 
i
SUMMARY
The modulation of the swelling ability of the hydrogel in responses to pH andelectric stimuli enables us to dynamically control the conversion of electrochemicalenergy into mechanical energy, thereby obtaining effective diffusivity andpermeability of the solutes or performing mechanical work.In this thesis, a chemo-electro-mechanical model is developed to simulate thedeformation characteristics of the pH-stimuli responsive hydrogel based on multi-fieldeffects formulation, and it is termed the Multi-Effect-Coupling of pH-Stimulus(MECpH) model. This model accounts for the ionic fluxes within both the hydrogeland surrounding solution, the coupling between the ionic diffusion, electric potential,and mechanical deformation in the hydrogel. The model also incorporates therelationship between the concentrations of the ionizable fixed charge groups and thediffusive hydrogen ion, which follows a Langmuir isotherm theory, into the Poisson-Nernst-Planck system. On top of that, the finite deformation has been considered in theformulation of mechanical equilibrium equation.In order to validate the MECpH model, one-dimensional steady-statesimulations of the hydrogel deformation with salt concentration, pH and electricpotential as the main stimuli are carried out via a meshless Hermite Cloud method andNewton-Raphson iterative procedure. The numerical results are compared withavailable experimental data. The simulations show a satisfactory agreement with theexperiment data from open literature qualitatively and quantitatively. The steady-state
 
iibehaviors of swelling equilibrium of hydrogel are demonstrated here in the context of nonlinear chemoelectromechanical theories.In addition, the behaviors of the hydrogel are considerably dependent on itbathing environment, as well as the physical and chemical nature of the hydrogel. Thesignificances of those factors on the equilibrium deformation can be inferred bytracking the changes of the average curvature or dimension of the hydrogel. Theillustrated results are analyzed and discussed with the support of the experimental datafrom other research groups. Those simulation results are confirmed to be quantitativelyconsistent with the real measured data. Present studies prove that the MECpH model isaccurate, efficient and numerically stable for providing a possible simulating tool for analysis of the nonlinear behavior of the pH-sensitive hydrogel.

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