Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations. Patch-adaptive simulation of moving fronts in non-linear diffusion models of the switching of conductive polymers

L. K. Bieniasz

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Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations. Patch-adaptive simulation of moving fronts in non-linear diffusion models of the switching of conductive polymers

机译：使用动态自适应网格技术求解电化学动力学方程。导电聚合物转换的非线性扩散模型中运动前沿的贴片自适应模拟

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The finite-difference path-adaptive strategy (PAS) for electrochemical kinetic simulations, previously described by author, is extended and applied to two examples of non-linear diffusion in one-dimensional space geometry, characterised by moving fronts, and related to the modelling of redox switching of conductive polymers. The extension consists of an appropriate spatial discrete isation of the second derivative diffusion term involving concentration-dependent diffusion coefficient, and of an improved selection of starting approximations for the Newton iterations within the extrapolation time-stepping scheme. Adaptive solutions obtained are reliable, accurate, efficient,a nd superior to fixed-grid solutions.

机译：先前由作者描述的用于电化学动力学模拟的有限差分路径自适应策略（PAS）已扩展并应用于一维空间几何中非线性扩散的两个示例，其特征是运动前沿，并且与建模有关导电聚合物的氧化还原转换。该扩展包括涉及浓度依赖的扩散系数的二阶导数扩散项的适当空间离散等式，以及外推时间步长方案中牛顿迭代的起始近似值的改进选择。获得的自适应解决方案可靠，准确，高效，并且优于固定电网解决方案。

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《Electrochemistry communications》 |2001年第3期|共5页
作者
L. K. Bieniasz;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
关键词
computational electrochemistry; adaptive grids; non-linear diffusion; moving fronts; polymer electrodes; chronoamperometry;

机译：计算电化学;自适应网格;非线性扩散;运动前沿;聚合物电极;计时电流法;

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1. Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations. Patch-adaptive simulation of moving fronts in non-linear diffusion models of the switching of conductive polymers [J] . L. K. Bieniasz Electrochemistry communications . 2001,第3期

机译：使用动态自适应网格技术求解电化学动力学方程。导电聚合物转换的非线性扩散模型中运动前沿的贴片自适应模拟
2. Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations. Part 14: extension of the patch-adaptive strategy to time-dependent models involving migration–diffusion transport in one-dimensional space geometry, [J] . L. K. Bieniasz Journal of Electroanalytical Chemistry: An International Journal Devoted to All Aspects of Electrode Kinetics, Interfacial Structure, Properties of Electrolytes, Colloid and Biological Electrochemistry . 2004,第2期

机译：使用动态自适应网格技术解决电化学动力学方程。第14部分：将贴片自适应策略扩展到涉及时间的模型，该模型涉及一维空间几何中的迁移扩散运输，
3. Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations. Part 15: patch-adaptive simulation of example transient experiments described by Nernst–Planck–electroneutrality equations in one-dimensional space g [J] . L. K. Bieniasz Journal of Electroanalytical Chemistry: An International Journal Devoted to All Aspects of Electrode Kinetics, Interfacial Structure, Properties of Electrolytes, Colloid and Biological Electrochemistry . 2004,第2期

机译：使用动态自适应网格技术解决电化学动力学方程。第15部分：在一维空间g中由能斯特-普朗克-电中性方程描述的示例瞬态实验的贴片自适应模拟
4. KINETICS OF REDOX SWITCHING OF ELECTROACTIVE POLYMERS USING THE ELECTROCHEMICAL QUARTZ CRYSTAL MICROBALANCE. II. IDENTIFYING THE RATE LIMITING STEP FOR THE REDOX SWITCH OF POLY(VINYLFERROCENE) IN AQUEOUS SODIUM HEXAFLUOROPHOSPHATE SOLUTIONS [C] . Irena Jureviciute, Stanley Bruckenstein, A. Robert Hillman International Symposium on Chemical and Biological Sensors and Analytical Methods II, 2001 . 2001

机译：使用电化学石英晶体微平衡的电致聚合物氧化还原转换的动力学。二。确定六氟磷酸钠水溶液中聚乙烯基二茂铁的氧化还原开关的速率限制步骤
5. A multi-zone adaptive grid generation technique for simulations of moving and free boundary problems. [D] . Zhang, Hui. 1994

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6. Using Simulations and Kinetic Network Models to Reveal the Dynamics and Functions of Riboswitches [O] . Jong-Chin Lin, Jeseong Yoon, Changbong Hyeon, -1

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8. Modeling, Analysis and Simulation: An A Posteriori Adaptive Mesh Technique for Singularly Perturbed Convection-Diffusion Problems with a Moving Interior Layer [R] . Shishkin, G. I., Shishkina, L. P., Hemker, P. W. 2003

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Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations. Patch-adaptive simulation of moving fronts in non-linear diffusion models of the switching of conductive polymers

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