Geochemical and Petrographical Characteristics of the Madzaringwe Formation Coal, Mudrocks and Sandstones in the Vele Colliery, Limpopo Province, South Africa: Implications for Tectonic Setting, Provenance and Paleoweathering

The sedimentary rocks of the Madzaringwe Formation in the Tuli Basin have been investigated using geochemical and petrographic methods to reveal their source area composition, tectonic setting, provenance and paleoweathering conditions. The petrographic studies show that the rocks consist mostly of clay minerals and quartz. The major elements geochemistry indicates that the rocks of the Madzaringwe Formation have the same source area. Based on the discriminant function plots, it can be inferred that the rocks are of quartzose sedimentary provenance, suggesting that they were derived from a cratonic interior or recycled orogen. The binary plots of TiO2 versus Zr and La/Sr against Th/Co shows that the rocks were derived from silicic or felsic igneous rocks. The tectonic setting discrimination diagrams of SiO2 against Log (K2O/Na2O), Th–Sc–Zr/10, and TiO2 versus (Fe2O3 + MgO) support passive-active continental margin settings of the provenance. The A–CN–K (Al2O3–CaO + Na2O–K2O) ternary diagram and binary plot of the index of compositional variability (ICV) against chemical index of alteration (CIA) shows that the rocks have been subjected to moderate to intensive weathering. Geochemical and petrographic characteristics of the rocks point to uplifted basement source areas predominantly composed of sedimentary rocks and/or granite-gneiss rocks. These source areas might have been from adjacent areas near the Tuli coalfield which include the Limpopo Belt (igneous and sedimentary rocks), and basement uplifted rocks of the Beit-Bridge Complex, consisting of the granite, granite-gneisses and schists.

A Theoretical Study on the Hydrogenation of CO Over Co2Cu2 Bimetallic Catalyst Supported on MgO(200) by Means of Density Functional Theory Part 1: Adsorption and Activation Stages

Density functional theory (DFT) at GGA-PBE/DZP level was performed to study the adsorption processes of CO and H2 on clusters Co2Cu2 and Co2Cu2 supported on MgO (Co2Cu2/MgO) system. The electronic structures, geometries of Co2Cu2 and Co2Cu2/MgO, adsorption energies were studied and analyzed. The optimal adsorption configurations of CO and H2 on Co2Cu2 and Co2Cu2/MgO were determined. The results show that CO and H2 are chemically adsorbed on Co2Cu2 and Co2Cu2/MgO systems and the adsorption process does not involve a transition state. MgO support plays important role in the increasing of the activation ability of Co2Cu2/MgO for CO compared to the initial cluster. Keywords: Syngas, DFT, Co2Cu2, MgO, adsorption.

Dry reforming of methane by stable Ni–Mo nanocatalysts on single-crystalline MgO

Large-scale carbon fixation requires high-volume chemicals production from carbon dioxide. Dry reforming of methane could provide an economically feasible route if coke- and sintering-resistant catalysts were developed. Here, we report a molybdenum-doped nickel nanocatalyst that is stabilized at the edges of a single-crystalline magnesium oxide (MgO) support and show quantitative production of synthesis gas from dry reforming of methane. The catalyst runs more than 850 hours of continuous operation under 60 liters per unit mass of catalyst per hour reactive gas flow with no detectable coking. Synchrotron studies also show no sintering and reveal that during activation, 2.9 nanometers as synthesized crystallites move to combine into stable 17-nanometer grains at the edges of MgO crystals above the Tammann temperature. Our findings enable an industrially and economically viable path for carbon reclamation, and the “Nanocatalysts On Single Crystal Edges” technique could lead to stable catalyst designs for many challenging reactions.

Influence of the metal concentration on the phytosynthesis of nanoparticles of Iron and Zinc

ABSTRACTIn this work, green nanotechnology has been applied by using phytochemical compounds as reducing agents from the plant extract of Hydrocotyle ranunuculoides through three modifications of the phytosynthesis method to prepare Fe and Zn nanoparticles, in three different concentration of the metallic solution. In the third modification a MgO support was included to avoid the Fe and Zn NP agglomeration. The nanoparticles size was 5±1 nm, and for the Fe NPs, it was determined with a cubic structure a Fe3O4 composition, and Zn nanoparticles were obtained with a hexagonal structure and Zn° composition. In the third method, MgO nanoparticle, the support appears as Mg0 nanoparticles surrounded by Fe0 and Zn0 nanoparticles. According to the three used methods pathways, the main influence is the modification in the method synthesis. Hybrid nanocomposites provide a means in preventing agglomeration of the NPs and hence avoid coalescence and loss of properties.

Catalytic Properties of Pure and K+-Doped CuO/MgO System Towards 2-Propanol Conversion

CuO/MgO system having different compositions was prepared by impregnation method followed by calcination at 400-900 °C. The effect of CuO content, calcination temperature and doping with small amounts of K⁺ species (1-3 mol %) on physicochemical, surface and catalytic properties of the system were investigated using XRD, adsorption of N2 at -196 °C, and conversion of isopropyl alcohol at 150-400 °C using a flow technique. The results revealed that the solids having the formulae 0.2 and 0.3 CuO/MgO calcined at 400 °C consisted of nanosized MgO and CuO as major phases together with Cu₂O as minor phase. The BET-surface areas of different adsorbents are decreased by increasing CuO content, calcination temperature and K⁺- doping. MgO-support material showed very small catalytic activity in 2-propanol conversion. The investigated system behaved as selective catalyst for dehydrogenation of 2-propanol with selectivity > 80%. The catalytic activity increased by increasing CuO content and decreased by increasing the calcination temperature within 400-900 °C. K⁺ - doping increased the catalytic activity and catalytic durability.

DFT global optimisation of gas-phase and MgO-supported sub-nanometre AuPd clusters

The effect of a MgO support on the structures and energies of Au–Pd clusters is calculated at the DFT level.

CVD synthesis of graphene nanoplates on MgO support

Synthesis of graphene directly on MgO has been carried out and the structural properties of the obtained material have been investigated. Few-layered graphene was produced by simple thermal decomposition of methane over MgO powder at 950 °C in a CVD reactor. The samples were purified by 10 N HNO3 treatment, and studied by TEM, Raman spectroscopy, EDAX and SEM. TEM clearly indicated the formation of graphene. EDAX showed that the purified sample contained only carbon and no traces of MgO. The characteristic Raman features of graphene were also seen as D-band at 1316 cm−1, G-band at 1602 cm−1, and a small 2D-band at 2700 cm−1 in the Raman spectra. The strong D-band suggests that the graphene possess large number of boundary defects. The small 2D-band indicates the formation of few-layered graphene.