A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels

Li, Hua; Wang, Xiaogui; Yan, Guoping; Lam, K.Y.; Cheng, Si‐Xue; Zou, Tao; Zhuo, Ren‐Xi

doi:10.1016/j.chemphys.2004.09.010

Cited by 39 publications

(30 citation statements)

References 20 publications

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“…In general, they only qualitatively predict the volume phase transition of thermo‐sensitive hydrogels. In order to overcome the problems, a coupled chemo‐electro‐thermo‐mechanical multi‐physical model has been developed by the present authors, and it is termed the multi‐effect‐coupling thermal‐stimulus (MECtherm) model 26. The model includes the steady‐state Nernst‐Planck equations and Poisson equation for distributions of diffusive ionic species and electric potential.…”

Section: Introductionmentioning

confidence: 99%

Multiphysics Modelling of Volume Phase Transition of Ionic Hydrogels Responsive to Thermal Stimulus

Wang

et al. 2005

Macromolecular Bioscience

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This paper presents the analysis of the volume phase transition of ionic thermo-sensitive hydrogels to thermal stimulus through mathematical modelling. The model is termed the multi-effect-coupling thermal-stimulus (MECtherm) model and it considers the effects of multi-phases and multi-physics. Its application to steady-state analysis of the hydrogels in swelling equilibrium is validated against available experimental data for the relation between volume swelling ratio and temperature, in which very good agreement is achieved. The phenomenon of volume phase transition is studied for the thermal-stimulus responsive hydrogel. The numerical studies predict well the influences of initially fixed charge density and initial volume fraction of polymeric network on the swelling equilibrium of the hydrogels.

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Section: Introductionmentioning

confidence: 99%

Multiphysics Modelling of Volume Phase Transition of Ionic Hydrogels Responsive to Thermal Stimulus

Wang

et al. 2005

Macromolecular Bioscience

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“…The mixing energy between the polymer and solvent per lattice site may be written as follows, according to the Flory–Huggins solution theory :

\begin{matrix} true \\ right Δ ψ_{mixing} & = & left k T [\frac{ϕ}{N α} prefixln ϕ + (1 - ϕ) prefixln (1 - ϕ) \\ left + χ ϕ (1 - ϕ)] \end{matrix}

in which χ is a dimensionless interaction parameter associated with the enthalpy of mixing, typically its numerical value ranging from 0 to 1.2 , and φ is the volume fraction of polymer. If the specific volume of a monomer unit is denoted by v and assumed as the same as that of the solvent, we have

ϕ = c v

.…”

Section: Free Energymentioning

confidence: 99%

“…The literature review reveals that the published studies were involved only in gel–gel phase transition and in the critical conditions for phase transition of physical hydrogel . In this paper however, the diffuse–interface model developed is able to simulate the solution–gel phase transition and the relevant interface evolution for the physical hydrogel with nonlinear deformation.…”

Section: Introductionmentioning

confidence: 99%

A diffuse‐interface modeling for liquid solution–solid gel phase transition of physical hydrogel with nonlinear deformation

2016

Electrophoresis

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A diffuse-interface model is presented in this paper for simulation of the evolution of phase transition between the liquid solution and solid gel states for physical hydrogel with nonlinear deformation. The present domain covers the gel and solution states as well as a diffuse interface between them. They are indicated by the crosslink density in such a way that the solution phase is identified as the state when the crosslink density is small, while the gel as the state if the crosslink density becomes large. In this work, a novel order parameter is thus defined as the crosslink density, which is homogeneous in each distinct phase and smoothly varies over the interface from one phase to another. In this model, the constitutive equations, imposed on the two distinct phases and the interface, are formulated by the second law of thermodynamics, which are in the same form as those derived by a different approach. The present constitutive equations include a novel Ginzburg-Landau type of free energy with a double-well profile, which accounts for the effect of crosslink density. The present governing equations include the equilibrium of forces, the conservations of mass and energy, and an additional kinetic equation imposed for phase transition, in which nonlinear deformation is considered. The equilibrium state is investigated numerically, where two stable phases are observed in the free energy profile. As case studies, a spherically symmetrical solution-gel phase transition is simulated numerically for analysis of the phase transition of physical hydrogel.

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“…After computing the concentration of H + ions, the other ionic concentrations were computed by Donnan membrane theory and subsequently the osmotic pressure is computed. Li et al [5,6] developed a chemo-electro-mechanical model using Poisson-NernstPlank (PNP) equations by incorporating the relationship between the concentrations of ionized fixed-charge groups and the diffusive hydrogen ion using Langmuir isotherm. They also validated the model by 1D simulation via the meshless Hermite-cloud method.…”

Section: Introductionmentioning

confidence: 99%

2D simulation of the deformation of pH-sensitive hydrogel by novel strong-form meshless random differential quadrature method

Mulay

2011

Comput Mech

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The objective of presented work is to simulate the response of 2D hydrogel when subjected to the varying pH of buffer solution and initial fixed-charge concentration inside the hydrogel. The novelty of the work is that this is the first attempt to perform the 2D simulation of pHresponsive hydrogel by novel strong-form meshless method, such as random differential quadrature (RDQ) method. The analytical equations, derived for the hydrogel deformation in the x and y directions, are numerically verified by the square shaped hydrogel disc. The jumps in the distributions of ionic concentrations and electrical potential, across the interface between solution and hydrogel, are effectively captured by the RDQ method. A novel approach is proposed to correctly impose natural boundary conditions for non-uniform boundary. The effects of solution pH and initial fixed-charge concentration on the hydrogel swelling are also successfully investigated.Keywords Random differential quadrature methods · 2D simulation of hydrogel · Meshless method · Differential quadrature method

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A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels

Cited by 39 publications

References 20 publications

Multiphysics Modelling of Volume Phase Transition of Ionic Hydrogels Responsive to Thermal Stimulus

Multiphysics Modelling of Volume Phase Transition of Ionic Hydrogels Responsive to Thermal Stimulus

A diffuse‐interface modeling for liquid solution–solid gel phase transition of physical hydrogel with nonlinear deformation

2D simulation of the deformation of pH-sensitive hydrogel by novel strong-form meshless random differential quadrature method

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