ABSTRACT
The determination of partition functions and their practical use in statistical mechanics equations are the topics covered in the chapter. It discusses below the practical applications of these methods, as well as additional integration methods providing numerical estimates for partition functions. The chapter also examine several test cases, including the use of the so obtained partition functions to locate phase transitions or determine the thermodynamic properties of adsorption. To provide absolute values for the partition functions, Wang-Landau simulations also need a connection with a reference state of the known partition functions. The window of chemical potentials during which the sudden change in density occurs is relatively narrow. Adsorption in a porous material is central to a wide range of phenomena in chemistry, physics, biology, and engineering, and, as a result, the thermodynamic characterization of adsorption is crucial for many industrial applications.
