crunchflow.input.databases.thermo.database_entities.SurfaceComplex

class crunchflow.input.databases.thermo.database_entities.SurfaceComplex

Bases: SpeciesBase

digraph inheritance624c31bcdd { bgcolor=transparent; rankdir=LR; size="8.0, 12.0"; "SpeciesBase" [URL="SpeciesBase.html#crunchflow.input.databases.thermo.database_entities.SpeciesBase",fillcolor=white,fontname="Vera Sans, DejaVu Sans, Liberation Sans, Arial, Helvetica, sans",fontsize=10,height=0.25,shape=box,style="setlinewidth(0.5),filled",target="_top",tooltip="Common fields for species and phases."]; "SurfaceComplex" [URL="#crunchflow.input.databases.thermo.database_entities.SurfaceComplex",fillcolor=white,fontname="Vera Sans, DejaVu Sans, Liberation Sans, Arial, Helvetica, sans",fontsize=10,height=0.25,shape=box,style="setlinewidth(0.5),filled",target="_top",tooltip="Surface complex from the 'surface complexation' block."]; "SpeciesBase" -> "SurfaceComplex" [arrowsize=0.5,style="setlinewidth(0.5)"]; }
Surface complex from the ‘surface complexation’ block.

  • site: the surface site species name (e.g., ‘>FeOH_strong’)

  • reaction: includes the site on the reactant/product side as defined

  • logK: tabulated equilibrium constant for the surface reaction

__post_init__() → None

Validate fields after initialization.