A mathematical model is described and applied for adsorption process of ethyl acetate from supercritical CO2 stream on activated carbon particles. This model has the ability of illustrating variation of effluent concentration towards different parameters such as flow rate, temperature and pressure. In this research, a vast area of operational conditions is experienced. Mass transfer resistance ...

A series of high-capacity, amine impregnated sorbents based on a cost-effective silica foam with ultralarge mesopores is reported. The sorbents exhibit fast CO2 capture kinetics, high adsorption capacity (of up to 5.8 mmol g 1 under 1 atm of dry CO2), as well as good stability over multiple adsorption– desorption cycles. A simple theoretical analysis is provided relating the support structure t...

This paper reports for the first time in situ crystal growth of ZIF-8 on electrospun polyurethane (PU) nanofibers. In SEM images, continuous and compact ZIF-8 nanocrystals grow along electrospun PU nanofibers. The highest loading capacity of ZIF-8 on PU reaches 63%. By N2 adsorption-desorption, ZIF-8-PU shows a high surface area of 566 cm(2) g(-1). Combining the good flexibility of PU with the ...

The mechanism of CO2 adsorption in the amine-functionalized metal-organic framework mmen-Mg2(dobpdc) (dobpdc(4-) = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate; mmen = N,N'-dimethylethylenediamine) was characterized by quantum-chemical calculations. The material was calculated to demonstrate 2:2 amine:CO2 stoichiometry with a higher capacity and weaker CO2 binding energy than for the 2:1 stoichiomet...

By stepwise functionalization of a T-shaped ligand with amide and N-oxide groups, we obtained a MOF with drastically strengthened CO2-framework interactions, induced by a "open donor sites" (ODSs) effect, resulting in a high heat of adsorption and high CO2/CH4, CO2/CO and CO2/N2 separation selectivities at room temperature.

Interactive surface chemistry of CO2 and NO2 on BaOx/Pt(111) model catalyst surfaces were investigated via X-ray photoelectron spectroscopy (XPS) and temperature-programmed desorption (TPD) techniques with a particular emphasis on the competition between different adsorbates for the catalytic adsorption sites and adsorbateinduced morphological changes. After NO2 adsorption, nitrated BaOx/Pt(111...

In this work, the storage of pure CO2 and CH4 gases and separation of their binary mixture in new type of nanostructured materials called boron imidazolate frameworks (BIFs) have been investigated using atomistic simulation to provide information for material selection in adsorbent designs. Adsorption isotherms and adsorption selectivities were computed using grand canonical Monte Carlo (GCMC)....

Carbon dioxide adsorption isotherms have been computed for the Metal-Organic Framework (MOF) Fe2(dobdc), where dobdc4− = 2,5-dioxido-1,4-benzenedicarboxylate. A force field derived from quantummechanical calculations has been used to model adsorption isotherms within a MOF based on a parameterization scheme. Restricted Open-shell Møller-Plesset second-order perturbation theory (ROMP2) calculati...

STM conductance spectroscopy and mapping has been used to analyze the impact of molecular adsorption on the quantized electronic structure of individual metal nanoparticles. For this purpose, isophorone and CO2, as prototype molecules for physisorptive and chemisorptive binding, were dosed onto monolayer Au islands grown on MgO thin films. The molecules attach exclusively to the metal-oxide bou...

Separation of CO2 from CO2-CH4 mixtures is an important issue in natural gas and biogas purification. The design of such separation processes depends on the knowledge of the behavior of multicomponent adsorption, particularly that of CO2-CH4 mixtures. In this study, we present a series of experimental binary equilibrium isotherms for CO2-CH4 mixtures on an activated carbon at 293 K and compare ...