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首页> 外文期刊>Journal of Electroanalytical Chemistry: An International Journal Devoted to All Aspects of Electrode Kinetics, Interfacial Structure, Properties of Electrolytes, Colloid and Biological Electrochemistry >Meshless steady-state analysis of chemo-electro-mechanical coupling behavior of pH-sensitive hydrogel in buffered solution
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Meshless steady-state analysis of chemo-electro-mechanical coupling behavior of pH-sensitive hydrogel in buffered solution

机译：pH敏感水凝胶在缓冲溶液中化学-机电耦合行为的无网格稳态分析

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The objective of the present study is to simulate the phenomenological behavior of the pH-sensitive hydrogels when the pH of their buffered aqueous environment is changed. A chemo-electro-mechanical formulation, referred to as the multi-effect-coupling pH-stimulus (MECpH) model, is also presented. This mathematical model, consisting of coupled nonlinear partial differential equations, takes account of the diffusion of ionic species, electric potential coupling and mechanical equilibrium deformation. On top of that, the correlation between diffusive hydrogen ion and charge groups fixed to the hydrogel polymeric chains is quantitatively incorporated into the MECpH model. As a novel meshless technique, the Hermite-Cloud method is employed to solve one-dimensional steady-state problems. For examination of the MECpH model., the computed results are compared numerically with experimental data available from literature, in which transitional volume changes in the HEMA hydrogel are studied when the environmental solution is in the range of pH4.5-7.5. The comparisons validate the accuracy and robustness of the MECpH model. Additionally, several numerical studies are carried out to simulate the swelling hydrogel immersed in buffered solution. It is observed that the fixed-charge groups and the mechanical properties of the pH-stimulus-responsive hydrogel have significant influences on the volume variations of the hydrogels. © 2005 Elsevier B.V. All rights reserved.
机译：本研究的目的是模拟当缓冲的水环境的pH值发生变化时，pH敏感水凝胶的现象学行为。还介绍了一种化学-机电配方，称为多效耦合pH刺激（MECpH）模型。这个数学模型由耦合的非线性偏微分方程组成，考虑了离子种类的扩散，电势耦合和机械平衡变形。最重要的是，扩散的氢离子​​与固定在水凝胶聚合物链上的电荷基团之间的相关性被定量地纳入了MECpH模型。作为一种新颖的无网格技术，采用了Hermite-Cloud方法来解决一维稳态问题。为了检验MECpH模型，将计算结果与可从文献中获得的实验数据进行了数值比较，其中研究了当环境溶液在pH4.5-7.5范围内时HEMA水凝胶的过渡体积变化。这些比较验证了MECpH模型的准确性和鲁棒性。另外，进行了一些数值研究来模拟浸入缓冲溶液中的溶胀水凝胶。观察到，pH刺激响应型水凝胶的固定电荷基团和机械性能对水凝胶的体积变化具有重大影响。 ＆复制; 2005 Elsevier B.V.保留所有权利。

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