Heats of adsorption and Henry coefficients

To test our model we use the experimental heats of adsorption cind Henry coefficients of the linear and branched alkanes. In appendix B, a compilation of the experimental data is given. 

In figure 4.2 the experimental heats of adsorption are compared with the results from simulations using the models given in table 4.1. Both the model of June et al. [141] and the model introduced in this work reproduce the experimental data. In addition, this figure also shows that our simulation results are in excellent agreement with the CBMC integration calculations of Maginn etal. [71]. 

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