Skip to content

Conversation

sudarshanv01
Copy link
Collaborator

Have updated the documentation of frozen adsorbate and frozen gas based on the recommendations of @ajmedford and discussions with Georg Kastlunger and @vossjo.

The frozen adsorbate / gas model assumes that the user passes along the free energy under standard pressure conditions. The rate constants are computed using these energies. However, the rate constants also include a prefactor for the pressure. This prefactor corresponds to the configurational entropy - which is added irrespective of whether frozen_adsorbate or frozen_gas is set to True. This PR adds some context to the doc-strings of the relevant functions.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant