抄録
Density Functional Theory (DFT) is powerful method for the description of the adsorption and phase behavior of confined fluid in small pores, in particular, sub nanometer–size pores in which the thermophysical properties of strongly confined fluid differ from the properties of corresponding bulk liquid. Equilibrium density profiles of fluid in pores calculated by DFT lead the adsorption/desorption isotherm and pore size distribution. This modern, statistical and microscopic method gives advantages on reliable pore size distribution of microporous and mesoporous materials. Besides, accurate pore size analysis covers from micropores to mesopores can be performed by single method.
