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The designing of metal organic frameworks (MOFs) requires an efficient method to predict its adsorption properties. The conventional method to do this is molecular simulation, which is time consuming. In contrast, classical density functional theory (CDFT) is a much more efficient tool. Recently, CDFT has been successfully applied to MOF adsorptions. In this chapter, we will introduce the development and the different versions of CDFT and show how to apply CDFT to predict fluid adsorption indoi:10.5772/64632 fatcat:ffmncwaf35dx7lwcgc6y5nwdci