The effects of graphene stacking are investigated by comparing the results of methane adsorption energy, electronic performance, and the doping feasibility of five dopants (i.e., B, N, Al, Si, and P) via first-principles theory. Both zigzag and armchair graphenes are considered. It is found that the zigzag graphene with Bernal stacking has the largest adsorption energy on methane, while the arm...

Hydrogen storage in MWNT was enhanced ®ia the catalytic acti®ity of NiMgO. The magnitude of the hydrogen to metal ratio for the MWNTrNiMgO system, combined with temperature programmed adsorption and desorption studies, showed hydrogen spillo®er from the catalyst to the carbon surface. Metal doping combined with temperature acti®ation studies showed that both nickel and magnesium are acti®e in t...

This research was undertaken to evaluate the effectiveness of a hybrid sorbent resin (Lewatit FO36) with goethite structure for removing arsenate from water. Column experiments (with constant flow rate of 8 mL/min, corresponding to 2 min empty bed contact time (EBCT)) were conducted to evaluate the adsorption capacity of resin before and after regeneration and effects of chloride, sulfate, bica...

Metal-organic frameworks (MOFs) are promising materials for carbon dioxide (CO2) adsorption and storage; however, many details regarding CO2 dynamics and specific adsorption site locations within MOFs remain unknown, restricting the practical uses of MOFs for CO2 capture. The intriguing α-magnesium formate (α-Mg3(HCOO)6) MOF can adsorb CO2 and features a small pore size. Using an intertwined ap...

The aim of this research was to assess the efficiency of Fenton’s oxidation for degradation of endocrine disruptor bisphenol A (BPA) with emphasis on extent of accompanying adsorption. Adsorption on the waste sludge resulting from the Fenton’s oxidation could represent a significant impact on the final removal efficiency of BPA. Fenton’s oxidation was accomplished at two concentrations of BPA (...

Low-temperature STM measurements combined with DFT calculations are employed to study the adsorption of gold on alumina/NiAl(110). The binding of Au monomers involves breaking of an oxide Al-O bond below the adatom and stabilizing the hence under-coordinated O ion by forming a new bond to an Al atom in the NiAl. The adsorption implies negative charging of the adatom. The linear arrangement of f...

Rigorous mathematical modeling of adsorption processes in packed beds involves time-consuming computations which are considered as the fundamental weakness of such thorough mathematical models. Thus, reducing the computation time was a key factor in improving adsorption mathematical models. In order to achieve this goal, an attempt was made to know how much using different numerical methods inf...

Combined application of organic and inorganic amendments was known to play a significant role in improvement of soil properties. A field experiment was conducted to explore the effects of gypsum, farmyard manure and commercial humic acid application on the amelioration of salt affected (saline sodic) soil. During this study, soil pH, electrical conductivity, sodium adsorption ratio, responses o...

The preparative purification of liriodendrin from Sargentodoxa cuneata using macroporous resin combined with crystallization process was evaluated. The properties of adsorption/desorption of liriodendrin on eight macroporous resins were investigated systematically. X-5 resin was selected as the most suitable medium for liriodendrin purification. The adsorption of liriodendrin on X-5 resin fitte...

We revealed an interesting facet-dependent electrochemical behavior toward heavy metal ions (HMIs) based on their adsorption behaviors. The (111) facet of Co3O4 nanoplates has better electrochemical sensing performance than that of the (001) facet of Co3O4 nanocubes. Adsorption measurements and density-functional theory (DFT) calculations reveals that adsorption of HMIs is responsible for the d...