Fitting of simulated isotherms with dual-site Langmuir model

6 Fitting of simulated isotherms with dual-site Langmuir model 

The fitted parameter k is practically identical for linear and branched alkcines. The S parameter, on the other hand, is about two to three orders of magnitude lower for the branched alkanes as compared to the linear ones. This causes the inflection behavior for branched alkcines to be much more prominent. The information presented in figure 4.22 could be extrapolated to estimate the isotherms for alkanes with higher carbon numbers. We note in passing that the constant k X 0max presented in figure 4.22 corresponds remarkably well with the Henry coefficients shown in figure 4.3. 

The Configurational-Bias Monte Carlo technique has been used for simulating the adsorption isotherms for linear and branched (2-methyl) alkanes on Silicalite. The important observations and conclusions arising from our studies are as follows. 

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