Langmuir equation computer simulation

With the development of improved numerical methods for solution of differential equations and faster computers it has recently become possible to extend the numerical simulation to more complex systems involving more than one adsorbable species. Such a solution for two adsorbable species in an inert carrier was presented by Harwell et al. The mathematical model, which is based on the assumptions of plug flow, constant fluid velocity, a linear solid film rate expression, and Langmuir equilibrium is identical with the model of Cooney (Table 9.6) except that the mass transfer rate and fluid phase mass balance equations are written for both adsorbable components, and the multicomponent extension of the Langmuir equation is used to represent the equilibrium. The solution was obtained by the method of orthogonal collocation. 

Salmi (25) set up equations needed to simulate the transient response of both the PFR and the CSTR. The balance equations and the generahzed equations for the rates of the elementary steps are compactly expressed in vector and matrix notation. Details of the computational algorithms are discussed, and they are applied to the N2O decomposition (Eqs. 5 and 6). In another paper (26) these equations are used to simulate (for both PFRs and CSTRs) the responses of sysfems following many mechanisms Eley-Rideal, Langmuir-Hinshelwood. a combination of the two. with and without dissociative adsorption, etc. These curves can be added to those of Kobayashi (22), to expand the general view of how various systems respond. 

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