Termodinámica molecular de adsorción de fluidos empleando la teoría de funcionales de la densidad
Abstract
Adsorption of fluids involves the adhesion of molecules from a simple or complex fluid to a solid surface. This phenomenon is superficial, as the adsorbed fluid does not penetrate or dissolve into the solid matrix. Adsorption has been a fundamental topic of interest in various fields, such as physics and chemistry. In this work, we review the fluid adsorption phenomenon using classical density functional theory (DFT). We provide an overview of basic concepts related to DFT, including interaction potentials, density functionals, density profiles, and adsorption isotherms. Finally, we discuss future perspectives of density functional theory, focusing on its application in studying the adsorption of complex fluids such as water, sulfur dioxide, and hydrogen on solid adsorbent materials like nanostructured solids and metal-organic frameworks. These materials have opened new possibilities for optimizing industrial processes and exploring robust theoretical approaches like classical DFT.
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