Real Picture of Adsorption and Monte Carlo Simulations

4 Real Picture of Adsorption and Monte Carlo Simulations 

In the Monte Carlo simulations of the chromatographic and related processes we should also account for the new knowledge about the deep heterogeneity of surfaces, about the role of localized adsorption and about the occurrence of surface diffusion. Evidently, now the molecular desorption energy accepted for a concrete simulation is to be understood as the effective value over the spectrum of possible energies in the sense of Eq. 5.71. As such, it is related to a concrete form of the p(E ). The 

Provided that the localized adsorption clearly prevails, it can be accounted for in a simple way — by introducing the effective vibration frequency vj c, which would make the mobile entropy equal to the localized one. From Eqs. 5.64 and 5.65 it follows that  

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