https://novaprd-lb.newcastle.edu.au/vital/access/manager/Index ${session.getAttribute("locale")} 5 The role of acid and metal sites in hydrodeoxygenation of guaiacol over Ni/Beta catalysts https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:40459 Wed 27 Jul 2022 11:43:27 AEST ]]> Mass transfer and kinetic study on BEA zeolite-catalysed oil hydroesterification https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:47710 Wed 25 Jan 2023 10:48:36 AEDT ]]> In Situ XAFS Study of a Modified TS-1 Framework for Carbonyl Formation https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:42538 Wed 24 Aug 2022 16:04:24 AEST ]]> Modeling and Experimental Study on the Thermal Decomposition of Perfluorooctanesulfonic Acid (PFOS) in an α-Alumina Reactor https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:51163 Wed 23 Aug 2023 17:30:50 AEST ]]> Thermal Decomposition of Perfluorooctanesulfonic Acid (PFOS) in the Presence of Water Vapor https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:51161 Wed 23 Aug 2023 17:23:28 AEST ]]> Role of metal support during ru-catalysed hydrodeoxygenation of biocrude oil https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:38517 2O3 (possessing weak acid sites, 9.2 nm) and Ru/SiO2 (absence of acid sites, 15.2 nm) were also prepared and examined. It was observed that a decrease in the Si/Al ratio of the support results in an increase in the yield of cyclohexane and a decrease in the yield of 2-methoxycyclohexanol in HDO of guaiacol. This data also discloses the influence of the concentration of acid sites on the deoxygenation of 2-methoxycyclohexanol. Both Ru/BEA and Ru/ZSM-5, with both possessing low Si/Al ratios, display a high activity for HDO for guaiacol, while only the Ru/BEA catalyst exhibits a high activity for HDO of biocrude oil. Catalyst characterisation (BET, NH3-TPD and NH3 and acetonitrile-d3-FTIR) shows that the Ru/BEA catalyst, with a low Si/Al ratio, not only possesses strong Brønsted acid sites but also contains extensive mesoporosity. Notably, these mesopores appear to facilitate the hydrogenation, deoxygenation, and ring-opening of large oxygenated and condensed-ring hydrocarbons in biocrude oil which then leads to a high yield of cycloalkanes. As expected, the Ru/Al2O3 and Ru/SiO2 catalysts exhibit a high hydrogenation activity but a lower deoxygenation activity in the HDO of guaiacol and biocrude oil. These results suggest that the larger pore support, with strong Brønsted acid sites, engendered the HDO activity observed. The reaction pathway for the main components of biocrude oil was proposed based on the observed reaction product distribution.]]> Wed 20 Oct 2021 11:28:59 AEDT ]]> Formation of surface oxygen species and the conversion of methane to value-added products with N2O as Oxidant over Fe-Ferrierite Catalysts https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:37281 2O over Fe-ferrierite (Fe-FER) catalyst prepared by solid-state ion-exchange method at moderate temperatures was studied using spectroscopic and solid characterization techniques including H2 temperature-programmed reduction (H2-TPR), N2O temperature-programmed desorption (N2O-TPD), and in situ Fourier transform infrared (FTIR). The utilization of active oxygen species for the direct conversion of methane to value-added products at moderate temperatures was investigated. The active oxygen sites for the selective conversion of methane were identified by a TPR feature at 220 °C. This site is also characterized by an infrared band observed at 1872 and 1892 cm-1 upon adsorption of NO. These bands are NO stretching vibrations of NO adsorbed on iron oxygen monomeric species, present in the zeolite cages and responsible for selective oxidation. We show that these oxidized species react with methane to form oxygenates but at higher temperatures form molecular oxygen. IR bands of surface methoxy groups were observed in significant concentration in the FTIR spectra and are suggested to be intermediate species of the selective oxidation of methane. Studies using continuous reactors demonstrated that cofeeding of methane and N2O-promoted generation of desired products from methane conversion by N2O over Fe-FER catalyst can be enhanced by optimizing the feed ratio of CH4/N2O. Furthermore, N2, O2 and NO were detected as the products of N2O decomposition over Fe-FER catalysts.]]> Wed 19 Jul 2023 10:27:37 AEST ]]> Understanding Structure-Function Relationships in Zeolite-Supported Pd Catalysts for Oxidation of Ventilation Air Methane https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:42039 Wed 17 Aug 2022 12:13:19 AEST ]]> The catalyzed conversion of methane to value-added products https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:37280 4) to organic oxygenates utilizing heterogeneous and homogeneous processes conducted in the gaseous or liquid phase is reviewed. The most active catalytic systems are examined in terms of rates, longevity, and reaction mechanisms. Despite significant effort, the successful heterogeneous mimicking of selective CH4 oxidation performed in an enzymatic system (methane monooxygenase) is still elusive. Under mild reaction conditions, the reaction is too slow, and under harsh conditions, total oxidation prevails. Thus, of particular interest herein is the assessment of oxidation at intermediate temperatures to 1) reduce total oxidation and 2) obtain sufficient concentration of activated oxygen and CH4 species. Important operational parameters such as reaction conditions, catalyst preparation methods, and cofeeding of chemicals, which significantly affect the yield of desired products, are discussed. One particular system that is successful is the catalytic conversion of CH4 to methanol under mild conditions using nitrous oxide (N2O) with Fe-based catalysts or oxygen (O2) with Cu-based catalysts. Special attention is paid to the controversy related to the identification of active sites, where the oxygen species suitable for CH4 oxidation are purportedly formed.]]> Wed 16 Sep 2020 18:36:19 AEST ]]> Catalytic combustion of ventilation air methane (VAM)-long term catalyst stability in the presence of water vapour and mine dust https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:18751 Wed 11 Apr 2018 15:10:45 AEST ]]> CO₂ capture by amine-modified materials, tailored for enhanced adsorption capacity and selectivity https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:17853 2 adsorption capacity and selectivity, in the presence of water vapour. The dynamic adsorption capacity of CO2 on NaY-TETA, prepared with varying loadings of amine, was examined. Following modification, the surface properties of the adsorbent were changed, as evident by examining the adsorption and desorption isotherms of CO2 from wet gas streams. The modified materials display excellent CO2 uptake under humid conditions. A mechanism describing the interaction of CO2 on the surface suggests a transformation from a mainly physical to chemical bonding due to modification of the surface functional groups on TETA. In addition, multicyclic use of NaY-TETA suggests that it could be an ideal sorbent for CO2 capture from flue gases.]]> Wed 11 Apr 2018 13:09:32 AEST ]]> Thermal oxidation of dieldrin and concomitant formation of toxic products including polychlorinated dibenzo-p-dioxin and dibenzofuran (PCDD/F) https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:44270 2 content in the feed gas and corresponds to 6.24 ng TEQ WHO 2005/mg of dieldrin and total PCDD/F concentration of 96.8 ng/mg of dieldrin.]]> Wed 10 May 2023 09:36:08 AEST ]]> Effect of Manganese on the selective catalytic hydrogenation of CO <inf>x</inf> in the presence of light hydrocarbons over Ni/Al2O3: an experimental and computational study https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:45435 2O3 catalyst for the hydrogenation of carbon oxides, in the presence of light hydrocarbons, was studied. Ni/Al2O3 displayed a high activity for the complete conversion of CO and CO2 to methane and C2+ hydrocarbons. Moreover, over a discrete and relatively narrow temperature range, the net concentration of light C2+ hydrocarbons was elevated, with the exit stream containing a higher concentration of C2+ species than was present in the feed stream and the product stream being virtually free of carbon oxides. It is found that the addition of manganese can enhance the selectivity toward the production of light hydrocarbons. A series of Ni–Mn/Al2O3 catalysts, prepared with different Ni/Mn ratios, were studied. Various characterization techniques such as X-ray diffraction (XRD) analysis, CO and H2 chemisorption, in situ nitric oxide adsorption Fourier transform infrared spectroscopy (NO-FTIR), and temperature-programmed reduction (TPR) were performed to gain an insight into how the addition of Mn to the primary catalyst enhances the yield of light hydrocarbons. The origin of Mn promotion was demonstrated through density functional theory (DFT) calculations, which revealed the favorable Mn substitution at the Ni(211) step edge sites under reducing conditions. The affinity of these Mn species toward oxidation stabilizes the CO dissociation product and thus provides a thermodynamic driving force that promotes C–O bond cleavage compared to the Mn-unmodified catalyst surface.]]> Wed 07 Feb 2024 15:34:43 AEDT ]]> Thermal decomposition of PFOA: Influence of reactor and reaction conditions on product formation https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:54618 Wed 06 Mar 2024 10:46:13 AEDT ]]> Novel hierarchical core-shell BEA@NanoZSM-5 zeolite for improved cracking performance for 1,3,5-triisopropylbenzene and n-hexadecane https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:43978 Wed 05 Oct 2022 14:29:44 AEDT ]]> An experimental investigation on the effects of adding a transition metal to Ni/Al₂O₃ for catalytic hydrogenation of CO and CO₂ in presence of light alkanes and alkenes https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:36086 Wed 05 Feb 2020 14:51:11 AEDT ]]> Kinetics of Decomposition of PFOS Relevant to Thermal Desorption Remediation of Soils https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:48752 Wed 05 Apr 2023 13:48:45 AEST ]]> Influence of reactor composition on the thermal decomposition of perfluorooctanesulfonic acid (PFOS) https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:54420 Tue 27 Feb 2024 13:52:27 AEDT ]]> Separation and analysis of high range extractable molecules formed during coal pyrolysis using coupled thin layer chromatography-imaging mass spectrometry (TLC-LDI-IMS) https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:34543 Tue 26 Mar 2019 13:54:09 AEDT ]]> Utilization of glycerol and its derivatives in a nickel-based SOFC https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:47664 2.]]> Tue 24 Jan 2023 15:40:55 AEDT ]]> Direct methane conversion to value-added products over Fe-FER catalysts https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:50988 Tue 14 Nov 2023 14:56:57 AEDT ]]> Shape selectivity of zeolite catalysts for the hydrodeoxygenation of biocrude oil and its model compounds https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:47138 Tue 14 Nov 2023 11:38:41 AEDT ]]> Understanding the role of titanium in the stability of supported palladium catalysts for the oxidation of ventilation air methane https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:45912 Tue 08 Nov 2022 09:32:10 AEDT ]]> Aqueous carbonation of peridotites for carbon utilisation: a critical review https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:51435 Tue 05 Sep 2023 17:54:57 AEST ]]> Insights on the stability of cuprous chloride under high pressure: an equilibrium ab initio atomistic thermodynamics study https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:40134 Tue 05 Jul 2022 15:28:54 AEST ]]> Highly-dispersed Ni on BEA catalyst prepared by ion-exchange-deposition-precipitation for improved hydrodeoxygenation activity https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:40121 2-TPD and H2-FTIR. IDP catalyst displays a higher metal dispersion and higher concentration of nickel hydrides than impregnated and DP catalysts, while bigger Ni nanoparticles formed in impregnated catalysts exhibit a higher concentration of nickel hydrides per surface Ni. The guaiacol conversion was not significantly affected by the catalyst preparation method, while the product selectivity was altered. Higher cyclohexane formation rate was detected over IDP catalysts compared to DP and impregnated catalysts. Besides, cyclohexane formation rate displays a positive linear correlation with the concentration of nickel hydrides, suggesting nickel hydrides play a crucial role in the hydrodeoxygenation reaction.]]> Tue 05 Jul 2022 13:57:40 AEST ]]> Natural zeolite supported Ni catalysts for hydrodeoxygenation of anisole https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:43843 Tue 04 Oct 2022 11:46:23 AEDT ]]> Adsorption of 2-chlorophenol on the surface of silica- and alumina-supported iron oxide: an FTIR and XPS study https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:34458 Tue 03 Sep 2019 18:22:25 AEST ]]> Study on mineral carbonation of heat activated lizardite at pilot and laboratory scale https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:41382 Tue 02 Aug 2022 15:48:24 AEST ]]> Thermal Mineralization of Perfluorooctanesulfonic Acid (PFOS) to HF, CO2, and SO2 https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:50674 Tue 01 Aug 2023 14:59:08 AEST ]]> Effect of Desilication On the Catalytic Activity of Fe-FER For Direct, Selective, Partial Oxidation of Methane https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:50501 Thu 27 Jul 2023 12:28:40 AEST ]]> Products and mechanism of thermal decomposition of chlorpyrifos under inert and oxidative conditions https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:42556 650 °C), TCpyol undergoes both decarbonylation and dehydroxylation reactions together with decomposition of its primary product, TCpyol. A substantial number of toxicants is observed, including HCN and several nitriles, including cyanogen. No CS2 is observed under oxidative conditions - sulfur dioxide is the fate of S in oxidation of CPF, and quantum chemical studies show that SO2 formation is initiated by the reaction between HOPOS and O2. The range of toxicants produced in thermal decomposition of CPF is summarised.]]> Thu 25 Aug 2022 10:37:16 AEST ]]> A mechanistic study of the Knoevenagel condensation reaction: new insights into the influence of acid and base properties of mixed metal oxide catalysts on the catalytic activity https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:33941 Thu 24 Jan 2019 12:19:56 AEDT ]]> Study on Catalyst Deactivation During the Hydrodeoxygenation of Model Compounds https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:40849 Thu 21 Jul 2022 15:35:13 AEST ]]> Methane oxidation by N₂O over Fe-FER catalysts prepared by different methods: nature of active iron species, stability of surface oxygen species and selectivity to products https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:46380 Thu 17 Nov 2022 13:38:16 AEDT ]]> On the Chemistry of Iron Oxide Supported on γ-Alumina and Silica Catalysts https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:43325 Thu 15 Sep 2022 14:43:46 AEST ]]> Comparison of direct, selective oxidation of methane by N₂O over Fe-ZSM-5, Fe-Beta, and Fe-FER catalysts https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:37767 2O as oxidant. Spectroscopic and solid characterization tools including H2-TPR, in situ IR, N2 gas adsorption, CO chemisorption, and TGA-MS were used in the investigation. Ammonia adsorption data suggested that among the studied zeolites, H-FER zeolite contained the highest concentration of framework Al atoms, which are essential for the formation of active extra-framework Fe species. The oxidation state and redox active species of Fe-ZSM-5, Fe-Beta, and Fe-FER catalysts were studied by H2-TPR, which disclosed the presence of a unique reduction peak (originating from N2O pretreatment) centered at approximately 235 °C over the samples. The hydrogen consumption peak was more prominent over Fe-FER than other catalysts, demonstrating that the Fe-FER catalyst contained more active sites for N2O conversion in comparison to Fe-Beta and Fe-ZSM-5 catalysts. For IR spectra of NO adsorbed on the Fe zeolites, a band at 1874 cm–1 with a shoulder at 1894 cm–1 was observed over the three catalysts, suggesting the presence of extra-framework Fe clusters in ion exchange positions. We demonstrated these clusters are acting as active sites for the oxidation of methane with N2O. Bands of methoxy groups were observed in FTIR profiles of CH4 and N2O adsorbed on Fe-FER, Fe-ZSM-5, and Fe-Beta catalysts at 350 °C. Over Fe-FER, the concentration of silanol-bonded methoxy groups accounted for over 95% of all methoxy groups under all the reaction conditions studied. In comparison, for the Fe-ZSM-5 and Fe-Beta catalysts, the proportion was less than 80%. The catalytic activity studies showed that Fe-FER was the most active catalyst based on methane and N2O conversion, and displayed the highest selectivity to C1-oxygenates and dimethyl ether formation, while Fe-ZSM-5 obtained the highest selectivity to ethylene among the three catalysts. Fe-ZSM-5 was found to deactivate significantly due to coke formation.]]> Thu 15 Apr 2021 10:03:06 AEST ]]> CO₂ capture modeling using heat-activated serpentinite slurries https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:46916 2) capture using reactive silicate-based mineral slurries exposed to a gas flow containing CO2. The model is validated through experimentation using thermally conditioned or heat-activated serpentinite (hydrous metamorphic ultramafic rock) in a laboratory-scale bubble column reactor. The kinetic model developed advocates a holistic modeling approach, offering an expanded view of the dissolution of heat-activated serpentinite under lean CO2 conditions, in which the gas–liquid–solid system and its influence on CO2 dissolution and the coupled dissolution behavior of the material are considered in their entirety. Modeling incorporates the characteristics of the gas to liquid phase interaction, such as CO2 composition of the gas phase and interfacial area, the composition of the aqueous phase and its temperature, and compositional and morphological features of the solid. We demonstrate that such an approach is essential when considering proton-limiting conditions that are especially relevant to mineral dissolution under dilute CO2 conditions in short reaction timeframes. The model is of particular relevance to the use of reactive silicate-based minerals for the aqueous capture of CO2 from dilute CO2 gas streams. The model as developed can be used to predict CO2 capture using heat-activated serpentinite slurries for a given set of operating conditions and should be adaptable for use with other alkaline materials of defined reactivity in similar or varying reaction settings by adequately specifying reaction conditions.]]> Thu 08 Dec 2022 08:53:04 AEDT ]]> Lean methane combustion over palladium loaded on alumina and HBETA zeolite: the role of the support on water vapour inhibition https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:32657 Thu 05 Jul 2018 10:55:14 AEST ]]> Process for Chloroform Decomposition: Nonthermal Plasma Polymerization with Methane and Hydrogen https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:41250 Sat 30 Jul 2022 12:40:37 AEST ]]> Base catalysed transesterification processes using magnesium and barium oxide composites https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:11961 Sat 24 Mar 2018 10:32:24 AEDT ]]> Development of combustion technology for methane emitted from coal-mine ventilation air systems https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:31342 Sat 24 Mar 2018 08:44:37 AEDT ]]> Mechanism and rate of thermal decomposition of hexachlorocyclopentadiene and its importance in PCDD/F formation from the combustion of cyclodiene pesticides https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:31498 2. This process has been studied by quantum chemical calculation, and a reaction potential energy surface has been developed. The rate constant of initial Cl atom fission has been calculated by canonical variational transition state theory as k = 1.45 × 1015 exp(−222 ± 9 kJ mol–1/RT) s–1 between 500 and 2000 K. A minimal kinetic model was developed to model the decomposition and major products. Oxidative decomposition was studied in nitrogen with O2 contents of 1, 6, 12, and 20 mol %. Increasing O2 to 6–8% increased the rate of decomposition of HCCP and decreased the yield of 8ClNP. Above 823 K, hexachlorobenzene (HCB) and CO became major products. The oxidative reaction has also been studied quantum chemically. At high O2 content (>∼10%), the rate of decomposition of HCCP declined as did yields of 8ClNP and HCB, but CO yields increased]]> Sat 24 Mar 2018 08:44:07 AEDT ]]> A low energy pathway to CuCl₂: a theoretical investigation https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:31490 2. In this paper, we show, using density functional theory calculations, that the presence of adsorbed water on a ClCu(1 0 0) modified surface leads to a low energy pathway to a direct CuCl2 formation.]]> Sat 24 Mar 2018 08:43:39 AEDT ]]> In situ XAS and IR studies on Cu:SAPO-5 and Cu:SAPO-11: the contributory role of monomeric linear copper(I) species in the selective catalytic reduction of NOᵪ by propene https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:7764 Sat 24 Mar 2018 08:41:56 AEDT ]]> X-ray adsorption spectroscopy of oxides and oxidation catalysts https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:8651 Sat 24 Mar 2018 08:41:26 AEDT ]]> A glimpse of the inner workings of the templated site https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:7076 Sat 24 Mar 2018 08:38:03 AEDT ]]> Reaction of carbon tetrachloride with methane in a non-equilibrium plasma at atmospheric pressure, and characterisation of the polymer thus formed https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:17485 Sat 24 Mar 2018 08:04:07 AEDT ]]> A designed organic-zeolite hybrid acid-base catalyst https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:20342 Sat 24 Mar 2018 08:02:57 AEDT ]]> Catalytic conversion of glycerol to allyl alcohol; effect of a sacrificial reductant on the product yield https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:17355 Sat 24 Mar 2018 08:01:41 AEDT ]]> HCl adsorption on copper-modified ZSM-5: FTIR and DFT study https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:18604 Sat 24 Mar 2018 08:01:03 AEDT ]]> A melamine-modified ß-zeolite with enhanced CO₂capture properties https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:17212 Sat 24 Mar 2018 07:59:17 AEDT ]]> Partial oxidation of methane with nitrous oxide forms synthesis gas over cobalt exchanged ZSM-5 https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:20583 Sat 24 Mar 2018 07:55:36 AEDT ]]> Function, structure and reactivity relationships in knoevenagel condensation reactions https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:16122 Sat 24 Mar 2018 07:55:20 AEDT ]]> Evidence of the formation of surface palladium carbide during the catalytic combustion of lean methane/air mixtures https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:21245 Sat 24 Mar 2018 07:53:02 AEDT ]]> Oxidative coupling and hydroxylation of phenol over transition metal and acidic zeolites: insights into catalyst function https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:21372 Sat 24 Mar 2018 07:51:26 AEDT ]]> Water formation via HCl oxidation on Cu(100) https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:18537 Sat 24 Mar 2018 07:50:11 AEDT ]]> Gas phase thermal oxidation of endosulfan and formation of polychlorinated dibenzo-p-dioxins and dibenzofurans https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:26093 Sat 24 Mar 2018 07:39:55 AEDT ]]> Towards understanding the improved stability of palladium supported on TS-1 for catalytic combustion https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:26104 Sat 24 Mar 2018 07:39:52 AEDT ]]> Reaction of nitrous oxide with methane to synthesis gas: a thermodynamic and catalytic study https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:31030 4 with N2O, particularly at higher CH4 conversions. For this purpose, key process variables, such as temperature (300 °C–550 °C) and a molar feed ratio (N2O/CH4 = 1, 3, and 5), were altered to establish the conditions for maximized H2 yield. The experimental study was conducted over the Co-ZSM-5 catalyst in a fixed bed tubular reactor and then compared with the thermodynamic equilibrium compositions, where the equilibrium composition was calculated via total Gibbs free energy minimization method. The results suggest that molar feed ratio plays an important role in the overall reaction products distribution. Generally for N2O conversions, and irrespective of N2O/CH4 feed ratio, the thermodynamic predictions coincide with experimental data obtained at approximately 475 °C–550 °C, indicating that the reactions are kinetically limited at lower range of temperatures. For example, theoretical calculations show that the H2 yield is zero in presence of excess N2O (N2O/CH4 = 5). However over a Co-ZSM-5 catalyst, and with a same molar feed ratio (N2O/CH4) of 5, the H2 yield is initially 10% at 425 °C, while above 450 °C it drops to zero. Furthermore, H2 yield steadily increases with temperature and with the level of CH4 conversion for reactions limited by N2O concentration in a reactant feed. The maximum attainable (from thermodynamic calculations and at a feed ratio of N2O/CH4 = 3) H2 yield at 550 °C is 38%, whereas at same temperature and over Co-ZSM-5, the experimentally observed yield is about 19%. Carbon deposition on Co-ZSM-5 at lower temperatures and CH4 conversion (less than 50%) was also observed. At higher temperatures and levels of CH4 conversion (above 90%), the deposited carbon is suggested to react with N2O to form CO2.]]> Sat 24 Mar 2018 07:34:52 AEDT ]]> Maceral separation from coal by the Reflux Classifier https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:29707 Sat 24 Mar 2018 07:33:26 AEDT ]]> The stability of Co₃O₄, Fe₂O₃, Au/Co₃O₄ and Au/Fe₂O₃ catalysts in the catalytic combustion of lean methane mixtures in the presence of water https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:27130 -1 mimicking the typical flow and conversion requirements of a catalytic system designed to treat a ventilation air methane stream. In order to gain a better understanding of the interaction between H₂O and the catalyst surface, temperature-programmed desorption of water over fresh and used samples were studied, and supported by other catalyst characterization techniques such as N₂-adsorption desorption, XRD, TEM, SEM and XPS analyses. The activity measurements of the catalysts studied identify Co₃O₄ as the most active material. Co-precipitating gold particles with cobalt oxide or iron oxide do not enhance the activity of the catalyst, which is most likely due to blocking the active site of support by the gold particle. The presence of strong hydroxyl bonds on the catalyst surface is substantiated by TPD and XPS analyses, and is suggested to be responsible for the rapid deactivation of Fe₂O₃ and Au/Fe₂O₃ catalysts.]]> Sat 24 Mar 2018 07:33:03 AEDT ]]> The use of LDI-TOF imaging mass spectroscopy to study heated coal with a temperature gradient incorporating the plastic layer and semi-coke https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:29503 Sat 24 Mar 2018 07:29:45 AEDT ]]> Enhancing allyl alcohol selectivity in the catalytic conversion of glycerol; influence of product distribution on the subsequent epoxidation step https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:28256 Sat 24 Mar 2018 07:28:34 AEDT ]]> The effect of synthesis gas composition on the performance of Ni-based solid oxide fuel cells https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:26398 Sat 24 Mar 2018 07:28:01 AEDT ]]> A temperature programmed desorption study of the interaction of ethyl cyanoacetate and benzaldehyde on metal oxide surfaces https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:26756 in situ FTIR experiments. The observation of the decomposition species further substantiates a proposed reaction mechanism for the Knoevenagel condensation reaction on the catalyst surface of some oxide catalysts.]]> Sat 24 Mar 2018 07:24:43 AEDT ]]> Reaction of dichloromethane under non-oxidative conditions in a dielectric barrier discharge reactor and characterisation of the resultant polymer https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:30034 Sat 24 Mar 2018 07:24:20 AEDT ]]> Cobalt species active for nitrous oxide (N₂O) decomposition within a temperature range of 300-600°C https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:30564 2O conversion reactions within a temperature range of 300–600°C. These reactions were examined in a fixed bed tubular reactor. ZSM-5 (Si/ Al = 15), TS-1, and amorphous silicates were used as catalyst supports for cobalt loadings. All catalysts were prepared by following standard methods and recipes. In general, cobalt loading on supports was varied between 0.78 and 5.40 wt.-% (as determined from inductively coupled plasma (ICP) analysis). ICP, temperature programmed desorption, X-ray diffraction, and N2 adsorption/desorption isotherms were used for the characterization of prepared catalysts. Cobalt on ZSM-5 support generates weak and strong acid sites. Furthermore, for the Co-ZSM-5 catalyst, prepared by a wet deposition method, the N2O decomposition reaction is first order with an activation energy of ~132 kJ mol−1. Co2+ and Co3+ are the suggested active species for the N2O conversions in the studied range of temperatures.]]> Sat 24 Mar 2018 07:23:55 AEDT ]]> Formation of PCDD/Fs in oxidation of 2-chlorophenol on neat silica surface https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:24331 p-dioxins and polychlorinated dibenzofurans (PCDD/Fs) from their precursors. We have identified 2,6-dichlorophenol (2,6-DCPh), 2,4-dichlorophenol (2,4-DCPh), and 2,4,6-trichlorophenol (2,4,6-TriCPh), but have detected no chlorinated benzenes (CBzs). The detected chlorinated and nonchlorinated DD/Fs comprise dibenzo-p-dioxin (DD), 1- and 2-monochlorodibenzo-p-dioxin (1-, 2-MCDD), 1,6-, 1,9-, 1,3-dichlorodibenzo-p-dioxin (1,6-, 1,9-, 1,3-DCDD), 4-monochlorodibenzofuran (4-MCDF), and 4,6-dichlorodibenzofuran (4,6-DCDF) at the reaction temperatures of 350 and 400 °C. However, at a lower reaction temperature, 250 °C, we have detected no PCDD/Fs. We have demonstrated that neat silica surfaces catalyze the generation of PCDD/Fs from chlorophenols at the upper range of the catalytic formation temperature of PCDD/F. The present finding proves the generation of PCDD/Fs on particles of fly ash, even in the absence of transition metals.]]> Sat 24 Mar 2018 07:16:37 AEDT ]]> Accelerated hydrothermal ageing of Pd/Al₂O₃ for catalytic combustion of ventilation air methane https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:24904 Sat 24 Mar 2018 07:14:52 AEDT ]]> Influence of impurities on the epoxidation of allyl alcohol to glycidol with hydrogen peroxide over titanium silicate TS-1 https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:24114 Sat 24 Mar 2018 07:11:41 AEDT ]]> Catalytic conversion of glycerol to polymers in the presence of ammonia https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:24563 Sat 24 Mar 2018 07:11:32 AEDT ]]> Hydrodeoxygenation of oleic acid for effective diesel-like hydrocarbon production using zeolite-based catalysts https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:39743 Mon 29 Jan 2024 18:49:33 AEDT ]]> Catalytic hydropyrolysis of lignocellulosic biomass to BTX and biofuels over zeolite beta based catalysts https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:51027 Mon 29 Jan 2024 18:21:49 AEDT ]]> Catalytic hydropyrolysis of biomass using natural zeolite-based catalysts https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:53602 Mon 29 Jan 2024 18:21:32 AEDT ]]> Understanding catalysis for processing glycerol and glycerol-based derivatives for the production of value added chemicals https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:49155 Mon 29 Jan 2024 17:44:58 AEDT ]]> Gas phase pyrolysis of endosulfan and formation of dioxin precursors of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:32361 Mon 28 May 2018 11:46:59 AEST ]]> The stability of Pd/TS-1 and Pd/silicalite-1 for catalytic oxidation of methane – understanding the role of titanium https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:40905 Mon 25 Jul 2022 11:21:14 AEST ]]> ACEME: Direct aqueous mineral carbonation of dunite rock https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:35221 Mon 24 Aug 2020 18:00:51 AEST ]]> The effect of synthesis gas on the performance of Ni-based solid oxide fuel cells https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:18680 Mon 20 Jul 2015 17:34:21 AEST ]]> Reaction of nitrous oxide with methane to produce synthesis gas (CO + H₂); a thermodynamic and catalytic analysis https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:18679 Mon 20 Jul 2015 17:34:13 AEST ]]> Mechanisms of thermal decomposition of cyclodiene pesticides, identification and possible mitigation of their toxic products https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:37366 Mon 19 Oct 2020 11:19:27 AEDT ]]> Catalytic coupling of CH₄ with CHF₃ for the synthesis of VDF over LaOF catalyst https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:35492 Mon 19 Aug 2019 09:58:25 AEST ]]> The role of Ni sites located in mesopores in the selectivity of anisole hydrodeoxygenation https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:48924 Mon 17 Apr 2023 11:00:40 AEST ]]> Formation of magnesite and hydromagnesite from direct aqueous carbonation of thermally activated lizardite https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:41902 Mon 15 Aug 2022 14:15:27 AEST ]]> A proposed reaction mechanism for the selective oxidation of methane with nitrous oxide over Co-ZSM-5 catalyst forming synthesis gas (CO + H₂) https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:36460 Mon 11 May 2020 13:20:44 AEST ]]> In-situ FTIR study on the mechanism of both steps of zeolite-catalysed hydroesterification reaction in the context of biodiesel manufacturing https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:45564 Mon 07 Nov 2022 12:03:56 AEDT ]]> Hydrodeoxygenation of guiacol over ion-exchanged ruthenium ZSM-5 and BEA zeolites https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:39234 4+ cations in zeolites with Ru3+ ions, are employed for the hydrodeoxygenation of guaiacol. The performance results indicate ion-exchanged Ru zeolites, with extremely low Ru contents (~0.2 wt%), possess a high intrinsic HDO activity compared to the catalysts prepared by the incipient wetness impregnation method. On the basis of TEM, FTIR, XPS and TPD analysis, the NH4+ ions in zeolite were substituted by Ru species, with metal particles entered the zeolite cages and finely dispersed on the support. These ion-exchanged Ru particles exhibit a strong electronic interaction with oxygen atoms of zeolite framework with a mixed Ru(0)-Ru(III) species observed in the reduced samples. In contrast, only Ru0 was detected in the reduced impregnated Ru/ZSM-5. The partial-reduced Ru species over the ion-exchanged Ru/ZSM-5 catalyst shows a high H2 adsorption activity facilitating the hydrogenation of guaiacol to the saturated products (such as 2-methoxycyclohexanol). In addition, ion-exchanged Ru-ZSM-5 and Ru-BEA catalysts present a similar normalized cyclohexane formation rate (based on the concentration of acid sites), suggesting the acid sites play a pivotal role in the deoxygenation of 2-methoxycyclohexanol to cyclohexane.]]> Fri 27 May 2022 13:36:26 AEST ]]> Mechanistic insights into the Knoevenagel condensation reaction over ZnO catalysts: direct observation of surface intermediates using in situ FTIR https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:47765 Fri 27 Jan 2023 11:07:04 AEDT ]]> Hydroesterification of bio-oils over HZSM-5, BETA and Y zeolites https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:46581 Fri 25 Nov 2022 13:47:01 AEDT ]]> Facile and Eco-Friendly Approach To Produce Confined Metal Cluster Catalysts https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:53127 Fri 17 Nov 2023 11:38:24 AEDT ]]> Hydrodeoxygenation of guaiacol over BEA supported bimetallic Ni-Fe catalysts with varied impregnation sequence https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:39742 Fri 17 Jun 2022 18:27:05 AEST ]]> Influence of Promoters (Fe, Mo, W) on the Structural and Catalytic Properties of Ni/BEA for Guaiacol Hydrodeoxygenation https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:43406 Fri 16 Sep 2022 10:54:33 AEST ]]> Magnesium Leachability of Mg-Silicate Peridotites: The Effect on Magnesite Yield of a Mineral Carbonation Process https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:41769 Fri 12 Aug 2022 11:56:24 AEST ]]> Nickel-manganese bimetallic catalysts for selective hydrogenation of COx in the presence of light hydrocarbons: Promotional effect of manganese https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:49879 Fri 09 Jun 2023 09:54:44 AEST ]]> Advanced in situ IR spectroscopy study of anisole hydrodeoxygenation over Ni/SiO2 catalysts https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:53581 Fri 08 Dec 2023 15:48:29 AEDT ]]>