1. Adsorption hysteresis in mesopores.
Remarks on the thermodynamic nature of the states within the hysteresis loop
R.Rockmann, PhD Thesis 2007, U Leipzig

2. Simulation Method: convolution function method, f(r)  V(r) * g(r)
physical concept akin to DFT
3 parameters for EOS of fluid
1 parameter for range of fluid/fluid interaction
2 parameters for range and strength of fluid / wall interaction

3. lowering grand potential W
Thermodynamics
EOS + equilibrium states
+ metastable state
lowering grand potential W
lowering free energy A
coexistence
of two
phases

4. Simulation: cylindrical pore in physical contact with gas reservoir
gas phase
gas phase

5. Simulation: adsorption in cylindrical pore of infinite length  EOS
gas phase

6. Simulation: finite pore length, isotherm

7. Simulation: finite pore length, isotherm (desorption, volume controlled)

8. Simulation: finite pore length, isotherm (adsorption, volume controlled)

9. Simulation: finite pore length, isotherm,
dynamics of pressure jump

10. Simulation: finite pore length, isotherm, 2 states of different topology
contr. chem. pot.
contr. volume
contr. amount