Graphite slit pore

Figure 3. GCMC simulated Xe adsorption isotherms on a graphite slit pore at 300 K. Experimetal isotherms are also shown. w= 0.90 nm, w= l.OOnm 0 P5, O P10, P20...

Figure 1. Adsorption isotherms for methane in smooth graphitic slit pores at 273K. Isotherms were calculated for slit widths of 0.7,0.8,0.9,1.0,1.1,1.2,1.4,1.6,1.8,2.0,2.2,2.4,2.6,2.8 and 3.0nnL The isotherms from the top to bottom in the right hand panel cover the range 1.4nm to 3.0nm. The inset in the left hand panel shows the same isotherms in the range of sub-atmospheric pressures.

In the case of the N2 graphitic slit pore system, w is equal to H - 0.24 nm. Fig. 1 shows potential profiles of a N2 molecule in a slitlike graphite pore as a function of w using the one-center approximation. Here, the molecular position in Fig. 1 is expressed by a distance z from the central plane between two surfaces. 

SO2 has a great permanent dipole moment and the molecular diameter from the viscosity experiment is 0.54 nm. Micropore filling of polar molecules by carbonous micropores is not actively studied [39]. The interaction of SO2 with the graphitic slit pore is described by the Lennard-Jones interaction and dipolar interaction. In particular, an organized structure due to a strong intermolecular interaction can be expected for a polar molecule such as SO2 in the micropore. 

Theoretical isotherms obtained using DFT method rival the accuracy of model isotherms constructed from molecular simulation, as shown in the comparison in Fig. 12 for N2 adsorption results in model graphitic slit pores at 77 K [22]. Tlie DFT model correctly predicts the capillary condensation pressure, the most prominent feature of the subcritical isotherm, relative to the exact computer simulation results shown in Fig. 11. DFT also provides a good description of the secondary structure of the mesopore isotherm (e.g., H = 42.9 A in Fig. 12), in which capillary condensation may be preceded by one or more wetting transitions. 

Figure 5.8 Nitrogen adsorption isotherms at 77 K in an assembly of independent graphitic slit pores with a pore size distribution equal to that shown in Fig. 5.7(a) (solid line), and in two reahstic models of porous carbon CS400 (squares) and CSIOOO (circles). Fractional filling is shown as a function of relative pressure. (Adapted from Ref. [68].)...

Fig. 239 Comparisons of CO2 adsorbed in functionalized micropores with that in the perfect graphite slit pore left side views of adsorbed CO2 in various functionaUzed graphite slit pores with pore width of 9.2 A right side views of adsorbed CO2 in various functionaUzed graphite sUt pores with pore width of 20 A. Reprinted with the permission from Ref. [178]. Copyright 2012 American Chemical Society...

Another pair of isotherms [90] are shown in Fig. 15. Here a Lennard-Jones model of methane has been used in a simulation of sorption in a graphitic slit pore. The two sets of curves in the figure are for a single pore width but for two... 

FIG. 1 Interaction potential profiles of O2 with the graphitic slit pores of different widths. Here z denotes the vertical distance from the midplane of two graphitic surfaces. The broken line indicates the profile for the single surface. 

Nguyen et al. [206] studied the interaction of benzene-water mixtures in between graphitic slit pores. At low water density, benzene molecules are... 

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