Quenched solid density functional theory coupled with PC-SAFT for the adsorption modeling on nanopores
V.M. Sermoud, Gabriel D. Barbosa, A.G. Barreto, Frederico W. Tavares
Topics & Concepts
AdsorptionChemistryDensity functional theoryEnthalpyThermodynamicsHysteresisNanoporeRange (aeronautics)Phase (matter)Statistical physicsChemical physicsPhysical chemistryComputational chemistryNanotechnologyMaterials sciencePhysicsCondensed matter physicsOrganic chemistryComposite materialPhase Equilibria and ThermodynamicsHydrocarbon exploration and reservoir analysisMaterial Dynamics and Properties