The adsorption capacity and selectivity of carbon dioxide and nitrogen at 298 K have been evaluated for two series of MMOFs built on metal paddle-wheel building units, including non-interpenetrated Zn(BDC)(TED)(0.5) (1), Zn(BDC-OH)(TED)(0.5) (2), Zn(BDC-NH(2))(TED)(0.5) (3), and interpenetrated Zn(BDC)(BPY)(0.5) (4), Zn(BDC)(DMBPY)(0.5) (5), Zn(NDC)(BPY)(0.5) (6) and Zn(NDC)(DMBPY)(0.5) (7) fra...

We propose titanium-decorated graphene oxide (Ti-GO) as an ideal sorbent for carbon monoxide (CO) capture and separation from gas mixtures. Based on first-principles calculations, Ti-GO exhibits a large binding energy of ~70 kJ mol(-1) for CO molecules, while the binding energies for other gases, such as N(2), CO(2), and CH(4), are significantly smaller. The gas adsorption properties of Ti-GO a...

We present an embedded density functional approach to study adsorption on crystalline surfaces. Following ideas suggested by Cortona, Wesolowski, and Warshel, we divide the total system into a quantum cluster and the surrounding lattice whose density is assumed to be the same as in the ideal crystal. In this case the Kohn–Sham Hamiltonian for electrons in the cluster contains additional terms c...

In this study, an experimental and analytical study on adsorption and adsorption kinetics of organic matters in titanium oxide (TiO2, Degussa P25) with synthetic wastewater was investigated. In order to understand the removal of different organic sizes in detail molecular weight (MW) distribution of organics matters was examined in terms of number and weight-average MW. The large MW (33950 dalt...

The ability of purified multi-walled carbon nanotubes (MWCNTs) to adsorb diclofenac and triclosan in aqueous solutions was examined by equilibrium, kinetic, and thermodynamic parameters. The results of SEM image, BET specific surface area, XRD, TGA, and FTIR spectra indicated that the characteristics of MWCNTs were improved after purification with nitric acid. Batch experiments illustrated that...

A composite zeolite adsorbent was prepared by conformally depositing an ultrathin porous TiO2 coating on the external surface of the 5A zeolite by molecular layer deposition (MLD) and subsequent calcination. The composite adsorbent showed significantly improved ideal adsorption selectivity for CO2-CH4, CO2-N2 and propylene-propane.

Mesoporous MIL-101(Cr) is used as host for a ship-in-a-bottle type adsorbent for selective U(VI) recovery from aqueous environments. The acid-resistant cage-type MOF is built in-situ around N,N-Diisobutyl-2-(octylphenylphosphoryl)acetamide (CMPO), a sterically demanding ligand with high U(VI) affinity. This one-step procedure yields an adsorbent which is an ideal compromise between homogeneous ...

Solid-liquid extraction (adsorption or ion exchange) is a promising approach for the in situ separation of organic acids from fermentation broths. In this study, a diluted concentration of lactic acid (<10 g/L) separation from a model fermentation broth by granular activated carbon (GAC) as well as weak (Reillex® 425 or RLX425) and strong (Amberlite® IRA-400 or AMB400) base anion exchange resin...

The heat of adsorption of naphthalene on Pt(111) at 300 K was measured with single-crystal adsorption calorimetry. The heat of adsorption on the ideal, defect-free surface is estimated to be (300 - 34 - 199(2)) kJ/mol. From this, a C-Pt bond energy for aromatic hydrocarbons on Pt(111) of approximately 30 kJ/mol is estimated, consistent with earlier results for benzene on Pt(111). There is highe...