Khimera Models
Khimera implements a wide range of first-principls-based models for calculating thermodynamic properties and kinetic and transport characteristics:
Chemistry of Heavy Particles
Direct bimolecular reactions
Bimolecular reactions via long-lived intermediate complexes
Multi-channel unimolecular reactions
Dissociation of diatomic molecules
Ion-molecular reactions
Surface Processes
Gas-surface reactions
Surface reactions
Surface diffusion
Electron-Molecular Reaction
Elastic electron-molecule scattering
Electronic excitation by electron impact
Ionization by electron impact
Electron-ion recombination
Vibrational Energy Transfer
VT and VV energy exchange
VRT and VVR energy exchange
Photochemical Reactions and Electronic Energy Transfer
Photoexcitation of diatomic molecules
Photodissociation of diatomic molecules
Dissociative electronic energy transfer
Predissociation of diatomic molecules
Inelastic atomic collisions
Multicomponent Thermodynamic Properties Model
Multicomponent Gas Transport Properties Model
The viscosity, thermal conductivity, diffusion and thermodiffusion properties of dissociated gas mixtures are calculated based on the model or ab initio interaction potentials within the Chapman-Enskog method.