A general theory of surface processes has been developed based on nonequilibrium thermodynamics with which one can describe desorption kinetics, dissociation and surface reactions. Calculations for particular systems are usually based on lattice gas models. Many systems have been analyzed over the years, often in collaboration with experimentalists, such as CO adsorption and desorption on Platinum and Ruthenium surfaces (important for catalytic converters), stepped surfaces, multi-site adsorption, photodesorption, field-induced adsorption and desorption, and many more. Much effort has gone into generalizing the kinetic lattice gas model to deal with precursor-mediated sticking and adsorption. Lately, we have used the kinetic lattice gas model to obtain exact analytica results for diffusion in one- and two-dimensional systems finally resolving the question about the validity of the Reed-Ehrlich factorization.
Shown in the figure is the Temperature-Programmed Desorption spectra of hydrogen from Rh(311): dashed and solid lines experiment and theory, respectively.
A software package called ASTEK for the Analysis and Simulation of Thermal Equilibrium and Kinetics
of Gases Adsorbed on Solid Surfaces (authors: S.H. Payne and H.J. Kreuzer) is available.