Coxholmgaard2027

The interaction between greenhouse gases (such as CH4 and CO2) and carbonate rocks has a significant impact on carbon transfer among different geochemical reservoirs. Moreover, CH4 and CO2 gases usually associate with oil and natural gas reserves, and their adsorption onto sedimentary rocks may influence the exploitation of fossil fuels. By employing the molecular dynamics (MD) and density functional theory (DFT) methods, the adsorptions of CH4 and CO2 onto three different CaCO3 polymorphs (i.e., calcite(10.4), aragonite(011)Ca, and vaterite(010)CO3) are compared in the present work. The calculated adsorption energies (E ad) are always negative for the three substrates, which indicates that their adsorptions are exothermic processes and spontaneous in thermodynamics. The E ad of CO2 is much more negative, which suggests that the CO2 adsorption will form stronger interfacial binding compared with the CH4 adsorption. The adsorption precedence of CH4 on the three surfaces is aragonite(011)Ca > vaterite(010)CO3 > calcite(10.4), while for CO2, the sequence is vaterite(010)CO3 > aragonite(011)Ca > calcite(10.4). Combining with the interfacial atomic configuration analysis, the Mulliken atomic charge distribution and overlap bond population are discussed. Selleckchem compound 991 The results demonstrate that the adsorption of CH4 is physisorption and that its interfacial interaction mainly comes from the electrostatic effects between H in CH4 and O in CO3 2-, while the CO2 adsorption is chemisorption and the interfacial binding effect is mainly contributed by the bonds between O in CO2 and Ca2+ and the electrostatic interaction between C in CO2 and O in CO3 2-.The primary aim of this study is to understand the effect of metal oxide flux on the fusibility of high-calcium coal ash. Based on the decomposition rate, the evolution of mineral matters in high-calcium coal has been investigated. The ash fusion temperatures of samples are measured by adding different flux Al2O3, Na2O, K2O, MgO, and TiO2. The results show that Na2O is the most effective in lowering ash fusion temperatures and its flow temperature could be 110 °C lower than that of the original ash. FactSage is used to calculate the proportion of solid phase and the mineral compositions as a function of the ash compositions and temperature. With the increase of Na2O, mineral matters with a low melting point form in the mixture. Furthermore, the decomposition rate of mineral matters increases in the first stage. The phase diagrams and relative mineral variation illustrate that the mineral and the decomposition rate variations are the main reasons for the change of ash fusion temperatures.Crystal structure, morphological features, and hydrogen-sensing properties of thick film sensors of TiO2 nanotubes (NTs) impregnated with nanoparticles of elements of Group 10, viz., nickel, palladium, and platinum, having average grain size of about 25, 20, and 20 nm, respectively, are presented. The sensitivity is observed to be higher for Pd/TiO2 NTs than for Pt/TiO2 NTs. Ni/TiO2 NTs exhibited very poor sensitivity. X-ray photoelectron spectroscopy (XPS) studies confirm reduction of the oxide layer of palladium nanoparticles, which, in turn, is responsible for the generation of Ti3+ ion in TiO2 NTs through hydrogen spillover. For Pt/TiO2 NTs, only reduction of the oxide layer over Pt nanoparticles takes place without any spillover effect. For Ni/TiO2 NTs, neither NiO nor TiO2 undergoes any reduction. Changes in the Fermi level difference of PdO and TiO2 along with Ti3+ generation synergistically operate for Pd/TiO2 NTs, whereas the difference in Fermi levels of PtO and TiO2 alone operates for Pt/TiO2 NTs during sensing.A novel, eco-friendly, water-soluble, slow-release nitrogen fertilizer was developed to enhance water solubility and nitrogen use efficiency. A test was performed to determine the interactive effects of process parameters using a central composite design and response surface methodology. The quadratic polynomial mode for slow-release nitrogen was determined and yielded differences (p less then 0.01). The soluble, slow-release nitrogen fertilizers were analyzed using nuclear magnetic resonance, and the release characteristics of soil nitrogen from the fertilizer at 25 °C were also determined. The effects of the fertilizer on plant growth were determined using rape (Brassica campestris L.) outdoors. Conversion rates from the fertilizer to inorganic nitrogen were 30.0, 52.2, and 60.0% at 7, 24, and 40 days, respectively. This soluble, slow-release nitrogen fertilizer resulted in increased yields and nitrogen use efficiencies in rape plants compared with a standard urea fertilizer. The yields of rape plants treated with a mixture of the fertilizer and urea (BBW100%) were significantly higher than all of the other treatments. When the nitrogen application rate was reduced by 20%, the resulting "SSNF80%" and "BBW80%" treatments produced nearly the same yields as "UREA100%". Nitrogen use efficiencies for treatments with the study fertilizer ("SSNF") and the mixture bulk blend fertilizer ("BBW") were significantly higher than that with urea ("UREA") treatment by 37-52 and 42-43%, respectively. Hence, the fertilizer showed great potential for improving the production of rape and possibly other crops.Magnetic anisotropy critically determines the utility of magnetic nanocrystals (NCs) in new nanomagnetism technologies. Using angular-dependent electron magnetic resonance (EMR), we observe magnetic anisotropy in isotropically arranged NCs of a nonmagnetic material. We show that the shape of the EMR angular variation can be well described by a simple model that considers magnetic dipole-dipole interactions between dipoles randomly located in the NCs, most likely due to surface dangling bonds. The magnetic anisotropy results from the fact that the energy term arising from the magnetic dipole-dipole interactions between all magnetic moments in the system is dominated by only a few dipole pairs, which always have an anisotropic geometric arrangement. Our work shows that magnetic anisotropy may be a general feature of NC systems containing randomly distributed magnetic dipoles.