/voltammetry.py

A Python package for working with voltammetry data

Primary LanguageJupyter NotebookMIT LicenseMIT

voltammetry.py

An effort towards a Python package for working with voltammetry data

Inspired by impedance.py and voltcycle

Desired Features

  • Visualization of voltammetry data with Altair (V vs. t, I vs. T, and V vs. I, for multiple cycles), intuitive knowledge of scan directions
  • ability to specify IUPAC/US convention (default IUPAC)
  • Peak finding, baseline fitting
  • Peak separation, peak height ratios
  • Absolute reference conversion (SCE, MSE etc.)
  • Specifying reaction mechanisms: soluble/insoluble species, intercalation, EC/ECE coupling, etc.
  • Specify experimental setup: standard, RDE/RRDE, microelectrode, etc.
  • user input mode for complex coupled rxns vs. automatic mode for high-throughput analysis
  • high-touch user input mode for complex coupled rxns vs. automatic mode for high-throughput analysis of well-understood systems
  • Application-specific functions:
    • Catalysis: automated hydrogen absorption calculations for determining electrochemically active surface area