Luo Rongmo, Li Hua, Lam Khin Yong
Department of Mechanical Engineering, National University of Singapore, 10 Kent Ridge Crescent, Singapore 119260, Singapore.
Anal Bioanal Chem. 2007 Oct;389(3):863-73. doi: 10.1007/s00216-007-1483-9. Epub 2007 Jul 21.
A chemo-electro-mechanical multi-field model, termed the multi-effect-coupling pH-electric-stimuli (MECpHe) model, has been developed to simulate the response behavior of smart hydrogels subject to pH and electric voltage coupled stimuli when the hydrogels are immersed in a pH buffer solution subject to an externally applied electric field. The MECpHe model developed considers multiphysics effects and formulates the fixed charge density with the coupled buffer solution pH and electric voltage effects, expressed by a set of nonlinear partial differential governing equations. The model can be used to predict the hydrogel displacement and the distributive profiles of the concentrations of diffusive ionic species and the electric potential and the fixed charge density in both the hydrogels and surrounding solution. After validation of the model by comparison of current numerical results with experiment data extracted from the literature, one-dimensional steady-state simulations were carried out for equilibrium of the smart hydrogels subject to pH and electric coupled stimuli. The effects of several important physical conditions, including the externally applied electric voltage, on the distributions of the concentrations of diffusive ionic species, the electric potential, the fixed charge density, and the displacement of the hydrogel strip were studied in detail. The effects of the ionic strength on the bending deformation of the hydrogels under the solution pH and electric voltage coupled stimuli are also discussed.
一种化学-电-机械多场模型,称为多效应耦合pH-电刺激(MECpHe)模型,已被开发出来,用于模拟智能水凝胶在浸入外部施加电场的pH缓冲溶液中时,受到pH和电压耦合刺激的响应行为。所开发的MECpHe模型考虑了多物理效应,并用一组非线性偏微分控制方程表示的耦合缓冲溶液pH和电压效应来制定固定电荷密度。该模型可用于预测水凝胶的位移以及扩散离子物种浓度、电势以及水凝胶和周围溶液中固定电荷密度的分布情况。通过将当前数值结果与从文献中提取的实验数据进行比较对模型进行验证后,对受pH和电耦合刺激的智能水凝胶的平衡进行了一维稳态模拟。详细研究了包括外部施加电压在内的几个重要物理条件对扩散离子物种浓度、电势、固定电荷密度以及水凝胶条带位移分布的影响。还讨论了离子强度对溶液pH和电压耦合刺激下水凝胶弯曲变形的影响。