In this work we present a comparison of different discretization techniques, in the context of finite volume formulation, for the solution of separation processes involving adsorption, absorption and permeation. The mathematical model developed assumes axially dispersed plug-flow, uniform bed/sorbent/membrane properties along the axial coordinate and negligible radial gradients. The algorithm u...

Flexible gate-opening metal organic frameworks (GO-MOFs) expand or contract to minimize the overall free energy of the system upon accommodation of an adsorbate. The thermodynamics of the GO process are well described by a number of models, but the kinetics of the process are relatively unexplored. A flexible GO-MOF, RPM3-Zn, exhibits a significant induction period for opening by N2 and Ar at l...

a key parameter for the application of polymer gels in water shut off treatment is the adsorption of polymer gel onto the rock surface. so, the adsorption properties of a nanocomposite hydrogel were discussed in this research by crosslinking of sulfonated polyacrylamide/sodium montmorillonite aqueous solutions with chromium triacetate. the x-ray diffraction patterns indicated that exfoliated ty...

The production of biofuels has had a great impact on climate change and the reduction use fossil fuels. There are different technologies used for separation biofuels, which allow having compounds such as ethanol, methane, oxygen, hydrogen, one these promising is Pressure Swing Adsorption process (PSA). objectives this article focus purification that achieve purities 99.5% bioethanol, 94.85% bio...

van der Waals density functional theory (vdW-DFT) and semiempirical grand canonical Monte Carlo (GCMC) calculations are used to predict the thermodynamics and methane storage capacity of 18 metal-substituted variants of the metal−organic framework (MOF) M-DOBDC (DOBDC = 2,5-oxidobenzene-1,4dicarboxylate). Methane adsorption enthalpies (ΔH) on the benchmark Mgand NiDOBDC systems were calculated ...