High capacity, high selectivity, and low-cost regeneration conditions are the most important criteria by which new adsorbents for post-combustion carbon dioxide capture will be judged. The incorporation of N,N0-dimethylethylenediamine (mmen) into H3[(Cu4Cl)3(BTTri)8 (CuBTTri; H3BTTri 1⁄4 1,3,5-tri(1H1,2,3-triazol-4-yl)benzene), a water-stable, triazolate-bridged framework, is shown to drastical...

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 ...

In this work, we have modified a synthesized Y-type zeolite (Si/Al = 2.5), with three different amines to investigate of the influence of adsorbent’s surface modification on CO2 selectivity over CH4. The pristine and amine-functionalized NaY zeolites were characterized by X-ray diffraction (XRD), thermal gravimetric analysis (TGA), Fourier transform infrared (FT-IR), and N2 adsorption. The resu...

A series of carbide-derived carbons (CDCs) with different surface oxygen contents were prepared from TiC powder by chlorination and followed by HNO3 oxidation. The CDCs were characterized systematically by a variety of means such as Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, ultimate analysis, energy dispersive spectroscopy, N2 adsorption, and transmission electr...

Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...

Adsorption of CO2 on the surface of Single-wall zigzag (5,0) and armchair (4,4) carbon nanotubes (SWCNTs) were studied through using density functional theory (DFT) calculations. Optimizations of geometric were performed at the B3PW91 level of 6-311++G** method standard basis set using GAUSSIAN 03 package of program [1]. Structural models were optimized and adsorption energies, band gap, charge...

We use Monte Carlo simulations to study the adsorption and separation of the natural gas components in IRMOF-1 and Cu-BTC metal-organic frameworks. We computed the adsorption isotherms of pure components, binary, and five-component mixtures analyzing the siting of the molecules in the structure for the different loadings. The bulk compositions studied for the mixtures were 50 : 50 and 90 : 10 f...

In this study, bimodal meso-porous silica (UVM-7) synthesized and fabricated amino silane modified supports were characterized by powder X-ray diffraction (XRD), N2 adsorption/desorption, transmission electron microscope (TEM), elemental analysis and titration. Capacity of CO2 capture on modified bimodal pore structure silica at 70°C was calculated using breakthrough curves; and it was found th...

Biomass wastes are considered as cost-effective and sustainable precursors to prepare activated carbons for CO2 capture. In this study, two biomass-derived activated carbons were prepared using peanut shell and sunflower seed shell, and the optimal activated carbons were obtained at low KOH/carbon ratio of about 1. The peanut shell derived activated carbon (P-973-1.00) and sunflower seed shell ...

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...