HAL (France)
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Classical DFT in realistic pore geometries. Application to adsorption prediction in zeolites and flexible MOFs.
Adsorption of inhomogeneous fluids in realistic pore geometries is studied using a model based on the coupling of three-dimensional Classical Density Functional Theory (cDFT) and the Statistical Associating Fluid Theory with Variable Range (SAFT-VR). In contrast to NL-DFT adsorp- tion frameworks com
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