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. 2017 May 18;13(7):3326–3339. doi: 10.1021/acs.jctc.6b01193

Figure 6.

Figure 6

Heat of adsorption of WCA particles in a pore with two different “adsorption sites”. For the first adsorption site, the interaction energy of the WCA particle with the pore is −1; for the second site, the interaction energy of the WCA particles with the pore is repulsive and either 2.5, 5.0, 7.5, or 10.0. The results correspond to simulations done using CFCMC. For conventional GC, the results look very similar, albeit with much larger fluctuations in the enthalpy of adsorption at high chemical potentials.