Since 2004, we have reported extensive applications of a commercial software, COMSOL Multiphysics, for the finite element simulation of electrochemical diffusion problems. We have solved the broad range of the problems defined in one-, two-, and three-dimensional spaces with one or two liquid phases. The charge-transfer kinetics was mainly based on the Butler-Volmer model while microscopic or multi-step models were also implemented. Here we post the simulation programs developed under the NSF support. Downloadable from this site are COMSOL Multiphysics files and the pdf files that define the corresponding diffusion problems. There is also the pdf file of a handout for the FEMLAB (old version of COMSOL Multiphysics) simulation used for a graduate-level electroanalytical chemistry course.
New. Cyclic Voltammetry of Adsorption-Coupled Electron-Transfer Reactions (supported by CHE-1904258)
Case II. Concerted Mechanism with Reversible Adsorption of Oxidant (Multiphysics)
Case II. Non-Concerted Mechanism with Reversible Adsorption of Oxidant (Multiphysics)
Case III. Concerted Mechanism with Reversible Adsorption of Reductant (Multiphysics)
Case III. Non-Concerted Mechanism with Reversible Adsorption of Reductant (Multiphysics)
(COMSOL version 6.0; Symbols are defined in pdf)
1. Cyclic Voltammetry at Pipet-Supported Liquid/Liquid Interfaces
Electrochemical Mechanism (Butler-Volmer Model) (pdf, Multiphysics)
Electrochemical/Chemical Mechanism (pdf, Multiphysics)
2. Cyclic Voltammetry at Solid-Supported Thin Membranes
Electrochemical Mechanism (Butler-Volmer Model) (pdf, Multiphysics)
3. Quasi-Steady-State Voltammetry at Macroscopic Substrates of Scanning Electrochemical Microscopy
(This simulation needs Multiphysics version 4.1 or higher and Livelink Matlab to use Matlab files)
Butler-Volmer Model (pdf)
Feedback Mode (Multiphysics, Matlab)
SG/TC Mode (Multiphysics, Matlab)
Marcus-Hush-Chidsey Model (pdf)
Feedback Mode (Multiphysics, Matlab)
SG/TC Mode (Multiphysics, Matlab)
4. Chronoamperometry at Disk Ultramicroelectrode (for teaching)
Handout (pdf)
Movie of the development of diffusion layer (mpg)
5. SECM-Based Nanogap Voltammetry of Adsorption-Coupled Electron Transfer (pdf)
Adsorption of Only Reactant in the Feedback Mode (Multiphysics, Excel)
(COMSOL with version 5.4a, Fitted NV; Optimization module is needed to fit the experimental data)
6. Cyclic Voltammetry of Adsorption-Coupled Electron Transfer (pdf)
Adsorption of Only Reactant (Multiphysics, Excel)
(COMSOL with version 5.4a, Fitted CV; Optimization module is needed to fit the experimental data
Case II. Concerted Mechanism with Reversible Adsorption of Oxidant (Multiphysics)
Case II. Non-Concerted Mechanism with Reversible Adsorption of Oxidant (Multiphysics)
Case III. Concerted Mechanism with Reversible Adsorption of Reductant (Multiphysics)
Case III. Non-Concerted Mechanism with Reversible Adsorption of Reductant (Multiphysics)
(COMSOL version 6.0; Symbols are defined in pdf)
1. Cyclic Voltammetry at Pipet-Supported Liquid/Liquid Interfaces
Electrochemical Mechanism (Butler-Volmer Model) (pdf, Multiphysics)
Electrochemical/Chemical Mechanism (pdf, Multiphysics)
2. Cyclic Voltammetry at Solid-Supported Thin Membranes
Electrochemical Mechanism (Butler-Volmer Model) (pdf, Multiphysics)
3. Quasi-Steady-State Voltammetry at Macroscopic Substrates of Scanning Electrochemical Microscopy
(This simulation needs Multiphysics version 4.1 or higher and Livelink Matlab to use Matlab files)
Butler-Volmer Model (pdf)
Feedback Mode (Multiphysics, Matlab)
SG/TC Mode (Multiphysics, Matlab)
Marcus-Hush-Chidsey Model (pdf)
Feedback Mode (Multiphysics, Matlab)
SG/TC Mode (Multiphysics, Matlab)
4. Chronoamperometry at Disk Ultramicroelectrode (for teaching)
Handout (pdf)
Movie of the development of diffusion layer (mpg)
5. SECM-Based Nanogap Voltammetry of Adsorption-Coupled Electron Transfer (pdf)
Adsorption of Only Reactant in the Feedback Mode (Multiphysics, Excel)
(COMSOL with version 5.4a, Fitted NV; Optimization module is needed to fit the experimental data)
6. Cyclic Voltammetry of Adsorption-Coupled Electron Transfer (pdf)
Adsorption of Only Reactant (Multiphysics, Excel)
(COMSOL with version 5.4a, Fitted CV; Optimization module is needed to fit the experimental data
Shigeru Amemiya
Professor of Chemistry
219 Parkman Avenue, Pittsburgh, PA 15260, USA
Phone: 1-412-624-1217
E-mail: [email protected]
Professor of Chemistry
219 Parkman Avenue, Pittsburgh, PA 15260, USA
Phone: 1-412-624-1217
E-mail: [email protected]