The adsorption of CO2 and CH4 in a mixed-ligand metal-organic framework (MOF) Zn 2(NDC) 2(DPNI) [NDC = 2,6-naphthalenedicarboxylate, DPNI = N, N'-di-(4-pyridyl)-1,4,5,8-naphthalene tetracarboxydiimide] was investigated using volumetric adsorption measurements and grand canonical Monte Carlo (GCMC) simulations. The MOF was synthesized by two routes: first at 80 degrees C for two days with conven...

Nano-Mg(OH)2, with low biological toxicity, is an ideal nano-carrier for insecticidal protein to improve the bioactivity. In this work, the adsorption features of insecticidal protein by nano-Mg(OH)2 have been studied. The adsorption capacity could reach as high as 136 mg g-1, and the adsorption isotherm had been fitted with Langmuir and Freundlich models. Moreover, the adsorption kinetics foll...

We explore the local electronic signatures of molecular adsorption at coordinatively unsaturated binding sites in the metal-organic framework Mg-MOF-74 using X-ray spectroscopy and first-principles calculations. In situ measurements at the Mg K-edge reveal distinct pre-edge absorption features associated with the unique, open coordination of the Mg sites which are suppressed upon adsorption of ...

We describe procedures based on the polydisperse independent ideal slit-pore model, Monte Carlo simulation and density functional theory (a 'slab-DFT') for predicting gas adsorption and adsorption heats in active carbons. A novel feature of this work is the calibration of gas-surface interactions to a high surface area carbon, rather than to a low surface area carbon as in all previous work. Ou...

The adsorption of polydisperse ideal polymer chains is shown to be sensitive to the large N tail of the distribution of chains. If and only if the number of chains decays more slowly than exponentially then there is an adsorption transition like that of monodisperse infinite chains. If the number decays exponentially the adsorption density diverges continuously at a temperature which is a funct...

Adsorption onto carbon nanotube bundles may find use in various applications such as gas pre-concentration and separation, and as a result it is of great interest to study the adsorption properties of such bundles. The adsorption of linear alkanes, with their systematic variation through chain length, is particularly useful to explore the effects of molecular length on adsorption characteristic...

The adsorption and separation behavior of SO2-CO2, SO2-N2 and CO2-N2 binary mixtures in bundles of aligned double-walled carbon nanotubes is investigated using the grand-canonical Monte Carlo (GCMC) method and ideal adsorbed solution theory. Simulations were performed at 303 K with nanotubes of 3 nm inner diameter and various intertube distances. The results showed that the packing with an inte...

Adsorption onto carbon nanotube bundles may find use in various applications such as gas preconcentration and separation, and as a result, it is of great interest to study the adsorption properties of such bundles. The adsorption of linear alkanes, with their systematic variation through chain length, is particularly useful to explore the effects of molecular length on adsorption characteristic...

In polymer chromatography, chain molecules are separated by molecular weight, size, and chemical composition due to adsorption and exclusion in nanoporous substrates. Three regimes of separation are distinguished depending on the adsorption strength and the pore size. In the regime of size exclusion chromatography, the adsorption energy is weak and the separation is entropy-driven with larger m...

This study presents the adsorption performance indicator for the evaluation of thermal power plant CO2 capture on mesoporous graphene oxide/TiO2 nanocomposite. To begin, this adsorbent was synthesized and characterized using N2 adsorption-desorption measurements (BET and BJH methods), X-Ray Diffraction (XRD), Field Emission Scanning Electron Microsc...