| Type | Group | Date | Project | Link | |
| Raman | Joaquin Rodriguez-Lopez | 2026-08-13 14:28 | Automated Redox Titrations via Interdigitated Electrode Arrays | same cell | |
| RFB | Joaquin Rodriguez-Lopez | 2026-08-13 14:27 | Automated Redox Titrations via Interdigitated Electrode Arrays | same cell | |
| NMR | Joaquin Rodriguez-Lopez | 2026-08-13 14:27 | Automated Redox Titrations via Interdigitated Electrode Arrays | same cell |
| Material | Family | Role(s) | Ion |
|
Polypyrrole (PPy)
· Conducting polymer film
Titrated on an interdigitated array electrode in aqueous media
|
Conducting polymer
Other · as named
|
Working electrode, Redox-active species | — |
| PTAP redox-active polymer · PTAP |
Redox-active polymer
Other · as named
|
Redox-active species | Li |
| 0.1 M LiClO4 in anhydrous acetonitrile · Non-aqueous supporting electrolyte |
Nitrile solvent electrolyte
Liquid · as named
|
Electrolyte, Solvent | Li |
|
Ferrocene
· Ferrocene mediator
Redox standard / mediator
|
Redox-active organic
Other
|
Redox-active species | — |
| Ag/AgCl in 1 M KCl · Reference electrode |
Ag/AgCl reference electrode
Other · as named
|
Reference electrode | — |
| 0.1 M phosphate-buffered saline, pH 7.4 · Aqueous buffer |
Aqueous
Liquid
|
Electrolyte | — |
Declared for sample 2025_ZiruiWang_JoaquinRodriguezLopez_ACS.Meas.Sci.Au._5c00128 — shared by every dataset on this sample.
| Visibility | public |
| Publication Doi | 10.1021/acsmeasuresciau.5c00128 |
| Institution Code | ESRA |
| Mesh Description | Default number of elements in bulk + finer free triangular mesh (50 elements) near electrodes; smallest mesh element ~30 nm; validated against 10× less dense mesh (noisy results, SI Figure S11) |
| Software / Package | COMSOL Multiphysics v5.6 with Transport of Diluted Species module |
| Computed Quantities | Baseline CV, titration CV, post-titration CV; baseline-subtracted titration current; titrated charge vs kc and PPy charging potential |
| Physics / Study Type | Electrochemical transport of diluted species; Fick's law mass transfer; Butler-Volmer kinetics (WE 2); surface reaction kinetics (WE 1, kc); parametric sweep of kc and CV scan rate |
| Solver / Study Settings | Parametric sweep over kc and CV scan rate; 2 CV cycles simulated (titration + post-titration); simplified geometry: ~2 min 16 s; full geometry: ~10 min 5 s (4× slower, same result) |
| Geometry / Model Dimension | 2D simplified (1 mm along y-axis; x-axis: WE 2 half / WE 1 / WE 2 / WE 1 / WE 2 half; separations = IDA gap width d_el); out-of-plane thickness = 510 μm; symmetry axes applied to replicate full IDA geometry |
| Boundary / Initial Conditions | nitial: only oxidized mediator (O) in solution (C_O = C_O*, all others = 0); WE 2: Butler-Volmer kinetics, cyclic voltammetry sweep (E = E0 − vt or E1 + v(t − t_rev/2)); WE 1: open circuit + surface reaction flux (j = kc × C_A_surf × C_B_soln); No-flux at all other boundaries; symmetry axes at domain edges |