A grid-free approach for simulating sweep and cyclic voltammetry
Abstract
We present a computational approach to simulate linear sweep and cyclic voltammetry experiments that does not require a discretized grid in space to quantify diffusion. By using a Green’s function solution coupled to a standard implicit ordinary differential equation solver, we are able to simulate current and redox species concentrations using only a small grid in time. As a result, where benchmarking is possible, we find that the current method is faster than (and quantitatively identical to) established techniques. The present algorithm should help open the door for studying adsorption effects in inner sphere electrochemistry.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Apr 23, 2021
- Source ID
- 10.1063/5.0044156
Entities
People
- Alec J Coffman
- Jianfeng Lu
- Joseph E Subotnik
Organizations
- Air Force Office of Scientific Research
- Duke University
- National Science Foundation
- University of Pennsylvania