2024 |
Mensah J, Yan P, Rawal A, Lee AF, Wilson K, Robinson N, et al., 'Catalytic Cracking of 1,3,5-Triisopropylbenzene and Low-Density Polyethylene over Hierarchical Y Zeolites and Al-SBA-15', ChemCatChem, 16 (2024)
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2024 |
Abu Fara A, Rayson MR, Brent GF, Oliver TK, Stockenhuber M, Kennedy EM, 'Effect of NaHCO
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2024 |
Weber NH, Grimison CC, Lucas JA, Mackie JC, Stockenhuber M, Kennedy EM, 'Influence of reactor composition on the thermal decomposition of perfluorooctanesulfonic acid (PFOS)', Journal of Hazardous Materials, 461 (2024) [C1]
Various reactor tubes (quartz, stainless steel 316 and stainless steel 253 MA) were used to examine their influence on the thermal decomposition of perfluorooctanesulfonic acid (P... [more]
Various reactor tubes (quartz, stainless steel 316 and stainless steel 253 MA) were used to examine their influence on the thermal decomposition of perfluorooctanesulfonic acid (PFOS) between 400 and 1000 °C. Using helium as a carrier gas, with the addition of 100 ¿ 300 ppm of PFOS to the feed gas, the influence of the reactor materials on PFOS decomposition was studied. The quartz reactor led to a notable reduction in the concentration of HF and substantial quantities of SiF4 were observed. Stainless steel 316 produced C2F4, HF, COF2 and SO2 as its primary products up to 800 °C. However, at temperatures above 800 °C, near quantitative removal of SO2 from the gas phase was observed, with the concomitant formation of a blue molybdenum sulfur complex. Stainless steel 253 MA, the composition of which contains over 1% Si produced substantial quantities of SiF4 but no significant decrease in the gas phase concentration of HF. Environmental implication: This research underscores the significant role of reactor material in the thermal treatment of PFAS, a globally widespread and enduring environmental contaminant. The findings have direct implications for the optimization of thermal treatment strategies aimed at mitigating PFAS contamination. The insight into how different reactor materials interact with PFOS during thermal treatment expands our understanding of potential destruction methods. This knowledge is crucial in the development of effective, sustainable strategies for managing persistent environmental pollutants like PFAS.
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Nova |
2023 |
Yan P, Nur Azreena I, Peng H, Rabiee H, Ahmed M, Weng Y, et al., 'Catalytic hydropyrolysis of biomass using natural zeolite-based catalysts', Chemical Engineering Journal, 476 (2023) [C1]
Natural clinoptilolite (coded as Escott), synthetic BEA, and mixed Escott-BEA zeolites supported nickel and iron catalysts were employed for catalytic hydropyrolysis of eucalyptus... [more]
Natural clinoptilolite (coded as Escott), synthetic BEA, and mixed Escott-BEA zeolites supported nickel and iron catalysts were employed for catalytic hydropyrolysis of eucalyptus globulus leaves. Comparing non-catalytic pyrolysis and catalytic pyrolysis in N2, the use of catalysts along with H2 (30 bar) resulted in improved yields of liquid oil and gas products, with reduced production of biochar/coke. Moreover, the biochar from catalytic hydropyrolysis showed a higher mesopore surface area (97 m2/g) than non-catalytic biochar (74 m2/g). Incorporating a small amount of BEA into Escott weakens the metal-support interaction, enhances H2 adsorption activity and increases the catalyst acidity, leading to an improved aromatic monomers selectivity while preventing excessive cracking of liquid oil. Consequently, Ni-Fe/Escott-BEA catalyst shows the highest content of valuable liquid organic components. Ni-Fe/Escott, with the largest Ni particles and lowest acidity, exhibits higher selectivity to methane and naphthalenes products. In contrast, Ni-Fe/BEA with excessive acid sites exhibited significantly lower content of liquid organic products but higher yields of C2-C5 gas products and deposited carbon, primarily ascribed to its high acidity promoting coupling, cracking and deoxygenation reactions. The deactivation of Brønsted acid sites was more pronounced than Lewis acid sites, underscoring their crucial role in coupling reactions and leading to increased coke deposition.
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Nova |
2023 |
Weber NH, Dixon LJ, Stockenhuber SP, Grimison CC, Lucas JA, Mackie JC, et al., 'Thermal decomposition of PFOA: Influence of reactor and reaction conditions on product formation', Chemical Engineering Science, 278 118924-118924 (2023) [C1]
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Nova |
2023 |
Yan P, Tian X, Kennedy EM, Stockenhuber M, 'Advanced in situ IR spectroscopy study of anisole hydrodeoxygenation over Ni/SiO2 catalysts', Journal of Catalysis, 427 115102-115102 (2023) [C1]
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Nova |
2023 |
Weber NH, Delva CS, Stockenhuber SP, Grimison CC, Lucas JA, Mackie JC, et al., 'Thermal Mineralization of Perfluorooctanesulfonic Acid (PFOS) to HF, CO
Utilizing air (O2) as the bath gas at reaction temperatures between 500 and 1000 °C, the thermal decomposition of perfluorooctanesulfonic acid (PFOS) in an a-alumina reactor was s... [more]
Utilizing air (O2) as the bath gas at reaction temperatures between 500 and 1000 °C, the thermal decomposition of perfluorooctanesulfonic acid (PFOS) in an a-alumina reactor was studied. It was found that in an air bath gas (and in the absence of water vapor), COF2 and trace amounts of C2F4 were detected. Quantum chemical calculations at the G4MP2 level of theory confirmed that CF2 radicals can react with O2 to form COF2 and an O (3P) atom. The inclusion of 2000 or 20 000 ppmv of water vapor (H2O(g)) to the air bath gas proved to be the key step to mineralizing all PFOS into hydrogen fluoride (HF), CO2, and SO2. At temperatures above 850 °C (0.95-0.84 s residence time), a feed of 20 000 ppmv of H2O(g) in air was observed to produce a product stream in which no gaseous fluorocarbon products were detected, with only HF, SO2, and CO2 being produced. A sulfur balance confirmed that 100 ± 5% of all the S in PFOS had converted into SO2 with a chemical kinetic model predicting in excess of 99.99999% destruction removal efficiency of PFOS at temperatures above 700 °C. Furthermore, from an elementary balance of F and C atoms, it was determined that at 1000 °C, approximately 99 ± 5% of F atoms present in PFOS have been converted into HF, and approximately 100 ± 5% of C atoms had been converted into CO2. A chemical kinetic model was developed to understand the importance of both O2 and water vapor in the overall thermal decomposition of PFOS, leading to complete mineralization. In the presence of both O2 and H2O(g), it was found that relatively high concentrations of OH radicals were produced, with significant contribution to OH formation attributed to the well-known chain branching reaction O(3P) + H2O ¿ OH + OH.
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Nova |
2023 |
Zhao G, Yan P, Procter K, Adesina A, Jin Y, Kennedy E, Stockenhuber M, 'Effect of desilication on the catalytic activity of Fe-FER for direct, selective, partial oxidation of methane', Journal of Catalysis, 417 140-152 (2023) [C1]
The effect of desilication on the physic-chemical properties of ferrierite zeolite was investigated using spectroscopic and solid characterisation techniques including N2-adsorpti... [more]
The effect of desilication on the physic-chemical properties of ferrierite zeolite was investigated using spectroscopic and solid characterisation techniques including N2-adsorption, XRD, SEM, H2-TPR, NH3-TPD and in situ FTIR. Stability of active oxygen species formed from N2O over the Fe-FER catalysts and the catalytic activity for direct conversion of methane to value-added products at temperatures between 300 °C and 400 °C were studied. Ferrierite zeolites, pre-treated with 0.1 M, 0.2 M and 0.3 M NaOH solutions preserved the crystal structure of the ferrierite zeolite but their textural properties were significantly modified, leading to an increase in mesopore area and creating a greater concentration of terminal Si-OH groups, concomitant with increase in the amount of extra-framework Al and reduction in the number of bridging Si-OH-Al species. Batch-mode catalytic reaction studies of methane with N2O conducted in an in situ FTIR cell demonstrate that the methoxy groups formed on extraframework iron sites followed by the migration of these species to silicon defect sites, which resulted in a decline in the intensity of terminal Si-OH groups bands in the IR spectra. N2O-TPD experiments confirm that N2O is converted to N2, O2 and NO over Fe-FER catalysts at 350 °C. The decline in the desorption temperature of these products observed over Fe-FER catalysts treated with alkaline solution is consistent with a significant increase in the mesopore surface area from 28.3 m2/g to 102.4 m2/g. The peak areas of desorbed O2 and NO were estimated, and the different ratios of O2/NO observed on these catalysts appears to be related to the difference stabilities of surface oxygen species. Studies under continuous reaction conditions demonstrate that, at a similar level of methane conversion (ca. 2.8 %), Fe-FER catalysts prepared with the moderately alkaline solution (0.2 M NaOH) results the highest yield of methanol, dimethyl ether and formaldehyde. It is asserted that this enhanced selectivity is the result of the comparatively high concentrations of terminal silanol groups, Brønsted-acid sites, stability of active oxygen species and mesopore volume.
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Nova |
2023 |
Yan P, Xi S, Peng H, Mitchell DRG, Harvey L, Drewery M, et al., 'Facile and Eco-Friendly Approach To Produce Confined Metal Cluster Catalysts.', Journal of the American Chemical Society, 145 9718-9728 (2023) [C1]
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Nova |
2023 |
Yan P, Kennedy EM, Zhang H, Stockenhuber M, 'Catalytic hydropyrolysis of lignocellulosic biomass to BTX and biofuels over zeolite beta based catalysts', FUEL, 332 (2023) [C1]
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Nova |
2022 |
Yan P, Tian X, Kennedy EM, Stockenhuber M, 'The role of Ni sites located in mesopores in the selectivity of anisole hydrodeoxygenation', CATALYSIS SCIENCE & TECHNOLOGY, 12 2184-2196 (2022) [C1]
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Nova |
2022 |
Nur Azreena I, Lau HLN, Asikin-Mijan N, Hassan MA, Izham SM, Safa Gamal M, et al., 'Hydrodeoxygenation of fatty acid over La-modified HZSM5 for premium quality renewable diesel production', Journal of Analytical and Applied Pyrolysis, 161 (2022) [C1]
In the present study, a series of La-HZSM5 catalysts were prepared through wet impregnation and investigated for the production of premium quality diesel fuel via hydrodeoxygenati... [more]
In the present study, a series of La-HZSM5 catalysts were prepared through wet impregnation and investigated for the production of premium quality diesel fuel via hydrodeoxygenation (HDO) of oleic acid (OA). Several parameters were evaluated, such as reaction temperature (360¿400 °C), H2 pressure (1¿5 MPa), La concentration (5¿20%), catalyst loading (1¿7 wt%), and reaction time (1¿4 h). At a reaction of 400 °C for 2 h under 5 MPa H2 pressure, the La(10)HZSM5(90) catalyst showed 97% hydrocarbon yield with 92% of diesel selectivity. The superior HDO activity by La(10)HZSM5(90) in producing high quality diesel is due to a sufficient number of weak + medium acid sites and its mesoporous structure. Vacuum distillation was complementary for producing high quality diesel fractions consisting of C17 fractions. The reusability of the La(10)HZSM5(90) catalyst was also demonstrated, though the catalyst still had coking activity.
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Nova |
2022 |
Benhelal E, Rashid MI, Rayson MS, Brent GF, Oliver T, Stockenhuber M, Kennedy EM, 'Direct aqueous carbonation of heat activated serpentine: Discovery of undesirable side reactions reducing process efficiency (vol 242, pg 1369, 2019)', APPLIED ENERGY, 325 (2022)
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2022 |
Weber NH, Delva CS, Stockenhuber SP, Grimison CC, Lucas JA, Mackie JC, et al., 'Modeling and Experimental Study on the Thermal Decomposition of Perfluorooctanesulfonic Acid (PFOS) in an ?-Alumina Reactor', INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 61 5453-5463 (2022) [C1]
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Nova |
2022 |
Weber NH, Delva CS, Stockenhuber SP, Grimison CC, Lucas JA, Stockenhuber M, et al., 'Thermal Decomposition of Perfluorooctanesulfonic Acid (PFOS) in the Presence of Water Vapor', INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 61 15146-15155 (2022) [C1]
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Nova |
2021 |
Yan P, Kennedy E, Stockenhuber M, 'Hydrodeoxygenation of guiacol over ion-exchanged ruthenium ZSM-5 and BEA zeolites', Journal of Catalysis, 396 157-165 (2021) [C1]
Ion exchanged Ru/ZSM-5 and Ru/BEA catalysts, prepared by replacing the extra framework NH4+ cations in zeolites with Ru3+ ions, are employed for the hydrodeoxygenation of guaiacol... [more]
Ion exchanged Ru/ZSM-5 and Ru/BEA catalysts, prepared by replacing the extra framework NH4+ 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.
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Nova |
2021 |
I Nur Azreena, Lau HLN, Asikin-Mijan N, Hassan MA, Saiman Mohd Izham, Kennedy E, et al., 'A promoter effect on hydrodeoxygenation reactions of oleic acid by zeolite beta catalysts', Journal of Analytical and Applied Pyrolysis, 155 (2021) [C1]
In this study, various metal-modified zeolite beta-based catalysts such as La(10)zeo(90), Co(10)zeo(90), Fe(10)zeo(90), Mg(10)zeo(90), Mn(10)zeo(90) and Zn(10)zeo(90) were investi... [more]
In this study, various metal-modified zeolite beta-based catalysts such as La(10)zeo(90), Co(10)zeo(90), Fe(10)zeo(90), Mg(10)zeo(90), Mn(10)zeo(90) and Zn(10)zeo(90) were investigated in the hydrodeoxygenation (HDO) of oleic acid (OA) to produce renewable diesel. The La(10)zeo(90) catalyst showed a conversion of OA up to 99 % with 83 % C15 and C17 selectivity after the reaction at 350 °C for 2 h under 4 MPa H2 pressure. The superior activity of La(10)zeo(90) was attributed to the synergistic interaction between La-Si-Al, a sufficient amount of weak + medium acid sites and excellent textural properties (large pore diameter). Larger pore diameter of La(10)zeo(90) is highly desirable as it will generate greater diffusion of bulky molecules, thereby improving the accessibility of the reactant and hence excellent catalytic activity. The vacuum distillation was used to purify the crude liquid product (CLP), producing high-quality diesel fractions mainly comprising C14, C15, and C17 fractions.
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Nova |
2021 |
Benhelal E, Hook JM, Rashid MI, Zhao G, Oliver TK, Rayson MS, et al., 'Insights into chemical stability of Mg-silicates and silica in aqueous systems using
This work investigates chemical stability of Mg-silicates and silica in aqueous systems in order to gain in-depth understanding of their dissolution and precipitation behaviour un... [more]
This work investigates chemical stability of Mg-silicates and silica in aqueous systems in order to gain in-depth understanding of their dissolution and precipitation behaviour under different conditions. The aim was to utilise the knowledge gained to develop an engineered carbon mineralisation technology for an efficient and cost competitive CO2 capture and utilisation. The results, based firmly on 29Si solid-state MAS NMR spectroscopy, and complementary techniques, demonstrate the influence of Si coordination (Qn) on the extent of Mg-silicates dissolution, as the increase in the number of neighbouring Si atoms in the structure of Mg-silicates reduced dissolution of Mg-silicates. While 100 and 80% of Q1(3 Mg) Mg-silicate dissolved in pH = 5 and 6.5, the extent of dissolution for Q2(2 Mg) was lower at values of 90 and 65% under the same conditions, while Q3(1 Mg) did not actually dissolve in solutions with pH = 5 and 6.5. The results of precipitation studies indicated the effect of Mg solubility on the structure and Mg content of the precipitated phases. While Mg-silicates with all three structures of Q1(3 Mg), Q2(2 Mg) and Q3(1 Mg) precipitated in the mildly alkaline environment (pH = 8.5) with the ratios of 20, 40 and 40% respectively, in concentrated acidic solutions of pH = 0, only pure silica (no Mg content) with Q3(1H)/Q4(0H, 0 Mg) having a ratio of 35 and 65% precipitated. The results of direct and indirect carbon mineralisation experiments showed that only 40 and 57 wt% of Mg content of thermally treated Mg-silicate was extracted respectively, consistent with 29Si NMR analyses, indicating that only intermediate Mg-silicate phases I and II with Q1(3 Mg) and Q2(2 Mg) structures were reactive, while other Mg-silicate phases remained inert. Another reason for limited Mg extraction in direct and indirect carbon mineralisation experiments is related to precipitation of a silica-rich phase/s on the surface of the reacting particles leading to passivation, again consistent with 29Si NMR analyses. This confirmed precipitation of Mg-silicate with a Q3(1 Mg) structure as well as hydrated silica Q3(1H) and silica Q4(0H, 0 Mg) in aqueous environments, similar to carbonation processes.
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Nova |
2021 |
Yan P, Mensah J, Drewery M, Kennedy E, Maschmeyer T, Stockenhuber M, 'Role of metal support during ru-catalysed hydrodeoxygenation of biocrude oil', Applied Catalysis B: Environmental, 281 (2021) [C1]
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Nova |
2021 |
Rashid MI, Benhelal E, Farhang F, Oliver TK, Stockenhuber M, Kennedy EM, 'Application of concurrent grinding in direct aqueous carbonation of magnesium silicates', Journal of CO2 Utilization, 48 (2021) [C1]
Formation of silica-rich passivation layers formed on the periphery of reacting feed particles is one of the primary obstacles in obtaining high magnesite yields during direct aqu... [more]
Formation of silica-rich passivation layers formed on the periphery of reacting feed particles is one of the primary obstacles in obtaining high magnesite yields during direct aqueous mineral carbonation of peridotites and serpentinites. The disruption of the silica-rich layer around partially reacted grains as a result of concurrent grinding on the degree of carbonation (magnesite yield) was investigated in this work. Three types of naturally-occurring magnesium silicate feedstocks, dunite, olivine and lizardite, as well as three types of grinding media, were examined. Discrete size fractions of feed samples, with and without grinding media, were carbonated. SEM readily disclosed the formation of a silica-rich shell around a magnesium rich core during carbonation. EDS analysis was employed to study the elemental composition of reacted particles' shell and core. The method confirmed that during concurrent grinding these silica-rich layers were removed and continuously produced a fresh surface available for further reaction. The removal of the silica-rich layer was shown to significantly improve magnesite yields up to a 600 % increase in yield. Among the three different grinding media used in this work, zirconia and stainless steel media resulted in similar and highest magnesite yields, which is believed to be due to a combination of their high densities and hardness. The findings of this research showed that enhanced magnesite yields could be achieved for all feedstock without the need for energy intensive pre-treatment steps (e.g. ultrafine grinding and heat-activation). Moreover, concurrent grinding resulted in a magnesite yield when raw lizardite was carbonated.
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Nova |
2021 |
Yan P, Tian X, Kennedy EM, Tkachenko OP, Stockenhuber M, 'Influence of Promoters (Fe, Mo, W) on the Structural and Catalytic Properties of Ni/BEA for Guaiacol Hydrodeoxygenation', ACS Sustainable Chemistry and Engineering, 9 15673-15682 (2021) [C1]
Hydrodeoxygenation (HDO) of guaiacol was investigated over BEA-supported bimetallic Ni-Fe, Ni-Mo, and Ni-W catalysts in a continuous-flow reactor. The electronic properties of Ni ... [more]
Hydrodeoxygenation (HDO) of guaiacol was investigated over BEA-supported bimetallic Ni-Fe, Ni-Mo, and Ni-W catalysts in a continuous-flow reactor. The electronic properties of Ni were significantly modified following the addition of W and Fe as analyzed by X-ray photoelectron spectroscopy (XPS) and temperature-programmed desorption (TPD), which is well in line with density functional theory (DFT) calculations, suggesting that the formation of Ni-Fe and Ni-W alloys is thermodynamically favorable while the generation of a Ni-Mo alloy is unfavored. The HDO over 9 wt % Ni/BEA catalyst was significantly improved following the incorporation of small quantities (<2.2 wt %) of Mo or Fe, while the incorporation of W decreased the HDO rate. The selectivity to hydrogenation products over the Ni-Fe/BEA catalyst was not altered compared to that of Ni/BEA during the hydrogenation of toluene, indicating that the observed increase in guaiacol conversion was engendered by the promotion of the direct hydrogenolysis of guaiacol to aromatics over Ni-Fe species. The hydrogenation and HDO rates of the Ni-Mo/BEA catalyst were both higher than those of Ni/BEA, which was attributed to the increased Ni dispersion promoted by Mo as indicated by similar nickel turnover frequency (TOFNi) values observed over Ni/BEA and Ni-Mo/BEA.
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Nova |
2021 |
Zhao G, Chodyko K, Benhelal E, Adesina A, Kennedy E, Stockenhuber M, 'Methane oxidation by N
Catalysts with different iron species distributions were developed by loading iron ions to ferrierite (FER) zeolite using liquid ion exchange (IE) and solid state ion exchange (SS... [more]
Catalysts with different iron species distributions were developed by loading iron ions to ferrierite (FER) zeolite using liquid ion exchange (IE) and solid state ion exchange (SSIE) methods, which in turn facilitates to study the relation between the nature of iron sites with the formation and stability of surface oxygen species, based on the comparable investigation of catalytic activity and selectivity to products over the catalysts, and the characterisation results obtained from a variety of spectroscopic and solid characterization techniques. IR spectra and NH3-TPD profiles demonstrate a greater extent of exchange of protons in bridging OH positions by iron cations with the Fe-FER-SSIE, in comparison to Fe-FER-IE catalyst. The primary catalytic species present in Fe-FER-IE are isolated Fe species in cation exchange positions, as indicated by UV¿vis spectra, while isolated and oligomeric extra-framework Fe species were present in Fe-FER-SSIE catalysts, which is consistent with H2-TPR profiles of N2O pre-treated catalysts and IR spectra of NO adsorption on the catalysts. N2O-TPD results demonstrate that the desorption of oxygen molecules (O2) released from surface oxygen species was observed at lower temperature and higher concentration from Fe-FER-IE than Fe-FER-SSIE. Higher ratio of N2O consumption/methane conversion over Fe-FER-IE was observed than Fe-FER-SSIE. With similar methane conversion, over Fe-FER-SSIE a higher selectivity to valuable products methanol, formaldehyde and dimethyl ether was observed than over Fe-FER-IE.
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Nova |
2021 |
Weber NH, Stockenhuber SP, Delva CS, Abu Fara A, Grimison CC, Lucas JA, et al., 'Kinetics of Decomposition of PFOS Relevant to Thermal Desorption Remediation of Soils', Industrial and Engineering Chemistry Research, 60 9080-9087 (2021) [C1]
Kinetics of pyrolysis of the pollutant perfluorooctanesulfonic acid (PFOS) in inert bath gases have been studied in two flow reactors constructed of a-alumina and of stainless ste... [more]
Kinetics of pyrolysis of the pollutant perfluorooctanesulfonic acid (PFOS) in inert bath gases have been studied in two flow reactors constructed of a-alumina and of stainless steel (SS) at temperatures between 400 and 615 °C. Results from the SS reactor give support to previous and our own quantum chemical calculations based on smaller perfluorinated sulfonates, according to which initiation of decomposition of PFOS first takes place by elimination of HF to form an unstable a-sultone with a rate constant, k1. The sultone then rapidly liberates SO2 and forms perfluorooctanoyl fluoride with a rate constant, k2 with k2 » k1 such that the overall rate constant k' ¿ k1. Products observed from both reactors in the above temperature range comprised HF, SO2, and perfluorooctanoyl fluoride. The value of the rate constant for the formation of HF and SO2 measured in the SS reactor was found to be k1 = (1.3 ± 0.5) × 1014 exp(-253 ± 5 kJ/mol/RT) s-1.
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Nova |
2021 |
Yan P, Kennedy E, Stockenhuber M, 'Natural zeolite supported Ni catalysts for hydrodeoxygenation of anisole', Green Chemistry, 23 4673-4684 (2021) [C1]
Natural and synthetic (BEA, MOR) zeolite-supported nickel (~5 wt%) catalysts were prepared and employed for the hydrogenation of toluene and hydrodeoxygenation of anisole in a con... [more]
Natural and synthetic (BEA, MOR) zeolite-supported nickel (~5 wt%) catalysts were prepared and employed for the hydrogenation of toluene and hydrodeoxygenation of anisole in a continuous-flow reactor. Ni/BEA and Ni/MOR display a higher level of metal dispersion and stronger metal-support interaction compared to the Ni/NZ and Ni/Escott catalysts, resulting in a higher concentration of charge-compensating Ni species and a larger high-temperature reduction peak. The Ni/BEA and Ni/MOR also present a significant mass of low-temperature desorbed H2(centred at 150 °C) based on H2-TPD, suggesting the H species are weakly adsorbed on small Ni clusters. In contrast, the H species were strongly adsorbed by the bulk Ni crystal over Ni/Escott and Ni/NZ, which were desorbed at maxima between 211 and 222 °C. We propose that the strongly adsorbed H species play a crucial role in the hydrogenation of toluene, leading to a significantly higher yield of methylcyclohexane over Ni/Escott and Ni/NZ compared to Ni/BEA and Ni/MOR. Both metal and acid sites are required in the hydrodeoxygenation of anisole. The strong Brønsted acid sites and numerous smaller Ni species over Ni/BEA facilitated the transalkylation of anisole to phenol and methylanisole and subsequently hydrogenolysis of phenol to benzene, followed by the hydrogenation of benzene to cyclohexane.
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Nova |
2021 |
Azreena IN, Lau HLN, Asikin-Mijan N, Izham SM, Hassan MA, Kennedy E, et al., 'Hydrodeoxygenation of oleic acid for effective diesel-like hydrocarbon production using zeolite-based catalysts (Nov, 10.1007/s11144-021-02082-w, 2021)', REACTION KINETICS MECHANISMS AND CATALYSIS, 134 1085-1085 (2021)
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2021 |
Azreena IN, Lau HLN, Asikin-Mijan N, Izham SM, Hassan MA, Kennedy E, et al., 'Hydrodeoxygenation of oleic acid for effective diesel-like hydrocarbon production using zeolite-based catalysts', Reaction Kinetics, Mechanisms and Catalysis, 134 1069-1083 (2021) [C1]
This study investigated the hydrodeoxygenation (HDO) of oleic acid (OA) that is abundantly found in palm oil for the production of renewable diesel. The effectiveness of mesoporou... [more]
This study investigated the hydrodeoxygenation (HDO) of oleic acid (OA) that is abundantly found in palm oil for the production of renewable diesel. The effectiveness of mesoporous catalysts, HZSM-5 and zeolite beta, in favoring diesel hydrocarbons was determined. The catalysts were activated by calcination at 550¿°C for 5¿h and their physicochemical properties were determined using X-ray diffraction (XRD), scanning electron microscopy (SEM), temperature-programmed desorption using ammonia probe molecules (TPD-NH3), and Brunauer¿Emmett¿Teller analysis (BET). XRD analysis of both zeolite beta and HZSM5 showed high crystalline size of 24 and 84¿nm, respectively. BET analysis found that the zeolite beta catalyst had a greater surface area (648 m2¿g-1) than HZSM5 (465¿m¿g-1) without significant differences in pore size and volume. According to the TPD-NH3 study, zeolite beta had the most weak + medium acid sites when compared to HZSM5. It should be noted that HZSM5 also demonstrated the presence of strong acid sites. The optimal conditions for both catalysts were 350¿°C, 4¿MPa hydrogen pressure, and 5% catalyst load over a 2¿h reaction period. From the results, the zeolite beta exhibited superior HDO reaction activity than HZSM5 with diesel selectivity ~ 77%.
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Nova |
2021 |
Harvey L, Kennedy E, Stockenhuber M, 'In Situ XAFS Study of a Modified TS-1 Framework for Carbonyl Formation', Journal of Physical Chemistry C, 125 16483-16488 (2021) [C1]
The in situ X-ray absorption fine structure (XAFS) was measured in the titanium-peroxo system supported by titanium silicalite-1 (TS-1). After this, the complex was heated, in lin... [more]
The in situ X-ray absorption fine structure (XAFS) was measured in the titanium-peroxo system supported by titanium silicalite-1 (TS-1). After this, the complex was heated, in line with previous in situ FTIR studies, in order to reproduce the catalytic conditions in those studies which demonstrate a reaction pathway to reaction products other than epoxides, namely, carbonyls, which have not been reported previously on this type of catalyst.
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Nova |
2021 |
Yan P, Kennedy E, Stockenhuber M, 'Hydrodeoxygenation of guaiacol over BEA supported bimetallic Ni-Fe catalysts with varied impregnation sequence', Journal of Catalysis, 404 1-11 (2021) [C1]
BEA supported Ni-Fe catalysts, prepared by various impregnation techniques, were characterised and examined for their activity for the hydrodeoxygenation (HDO) of guaiacol and hyd... [more]
BEA supported Ni-Fe catalysts, prepared by various impregnation techniques, were characterised and examined for their activity for the hydrodeoxygenation (HDO) of guaiacol and hydrogenation of toluene. The aim of the study was to explore the factors affecting the formation of Ni-Fe active species and explore the relationship between the concentration of surface Ni, Ni-Fe species and HDO activity. Catalysts prepared initially with Fe, or co-currently with Fe and Ni exhibited a higher level of HDO rate compared to catalyst that was prepared with Ni initially. When a catalyst was impregnated initially with Fe, metal-supported interaction was relatively weak, thus the formation of Ni-Fe species was promoted. In contrast, a reduced number of Ni sites was involved in the formation of Ni-Fe species when the catalyst was initially impregnated with Ni, resulting in a low HDO rate. The rate of cyclohexane formation is proportional to the concentration of surface Ni-Fe over the catalysts with similar Ni and Fe loadings but prepared by different impregnation sequences. The enhanced HDO rate is attributed to the hydrogenolysis activity of Ni-Fe species. The effect of Ni/Fe ratio on HDO activity was also investigated under differential conditions and the catalyst with a Ni/Fe mass ratio of 3.3 exhibited the highest rate of cyclohexane formation.
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Nova |
2021 |
Mensah J, Yan P, Kennedy E, Drewery M, Stockenhuber M, 'Novel hierarchical core-shell BEA@NanoZSM-5 zeolite for improved cracking performance for 1,3,5-triisopropylbenzene and n-hexadecane', Microporous and Mesoporous Materials, 328 (2021) [C1]
To overcome diffusional limitations associated with the catalytic cracking of large hydrocarbons, a novel core-shell hierarchical zeolite has been developed and evaluated. Large, ... [more]
To overcome diffusional limitations associated with the catalytic cracking of large hydrocarbons, a novel core-shell hierarchical zeolite has been developed and evaluated. Large, branched hydrocarbons encounter diffusional limitations in micropores of zeolites for cracking reactions, a limitation overcome by improved textural properties of hierarchical zeolites, leading to enhanced cracking activity. This will result in an improvement in deactivation rate, cracking activity, and enhanced product selectivity towards light hydrocarbon products. The impact of chain length involving a long chain paraffin (hexadecane) and a highly branched aromatic (1,3,5-TIPB) was also investigated to study the influence of the presence of the micro-mesopore network in overcoming diffusion limitations. This paper investigates the use of hierarchical core-shell BEA@NanoZSM-5 in the catalytic cracking of 1,3,5 triisopropylbenzene (1,3,5-TIPB), and n-hexadecane (C16). The novel hierarchical composite was synthesized by preliminary seeding of the core BEA crystals and subsequent growth under hydrothermal conditions leading to the formation of an intergrown and distinctive nanocrystalline ZSM-5 shell zeolite. Evidence of the existence of a hierarchical structure was probed by Ar sorption utilising non-local density functional theory (NLDFT) pore size distribution analysis.
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Nova |
2020 |
Benhelal E, Oliver TK, Farhang F, Hook JM, Rayson MS, Brent GF, et al., 'Structure of Silica Polymers and Reaction Mechanism for Formation of Silica-Rich Precipitated Phases in Direct Aqueous Carbon Mineralization', Industrial and Engineering Chemistry Research, 59 6828-6839 (2020) [C1]
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Nova |
2020 |
Suleiman IA, Shawaqfeh AT, Stockenhuber M, Kennedy EM, 'Insights on the stability of cuprous chloride under high pressure: An equilibrium ab initio atomistic thermodynamics study', Journal of Physics and Chemistry of Solids, 136 (2020) [C1]
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Nova |
2020 |
Shadravan V, Bukas VJ, Gunasooriya GTKK, Waleson J, Drewery M, Karibika J, et al., 'Effect of Manganese on the Selective Catalytic Hydrogenation of CO
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Nova |
2020 |
Yan P, Li MMJ, Kennedy E, Adesina A, Zhao G, Setiawan A, Stockenhuber M, 'The role of acid and metal sites in hydrodeoxygenation of guaiacol over Ni/Beta catalysts', Catalysis Science and Technology, 10 810-825 (2020) [C1]
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Nova |
2020 |
Zhao G, Adesina A, Kennedy E, Stockenhuber M, 'Formation of Surface Oxygen Species and the Conversion of Methane to Value-Added Products with N2O as Oxidant over Fe-Ferrierite Catalysts', ACS Catalysis, 10 1406-1416 (2020) [C1]
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Nova |
2020 |
Hosseiniamoli H, Setiawan A, Adesina AA, Kennedy EM, Stockenhuber M, 'The stability of Pd/TS-1 and Pd/silicalite-1 for catalytic oxidation of methane-understanding the role of titanium', Catalysis Science and Technology, 10 1193-1204 (2020) [C1]
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Nova |
2020 |
Weber NH, Stockenhuber SP, Benhelal E, Grimison CC, Lucas JA, Mackie JC, et al., 'Products and mechanism of thermal decomposition of chlorpyrifos under inert and oxidative conditions', Environmental Science: Processes and Impacts, 22 2084-2094 (2020) [C1]
Chlorpyrifos (CPF) is a widely used pesticide; however, limited experimental work has been completed on its thermal decomposition. CPF is known to decompose into 3,5,6-trichloro-2... [more]
Chlorpyrifos (CPF) is a widely used pesticide; however, limited experimental work has been completed on its thermal decomposition. CPF is known to decompose into 3,5,6-trichloro-2-pyridinol (TCpyol) together with ethylene and HOPOS. Under oxidative conditions TCpyol can decompose into the dioxin-like 2,3,7,8-tetrachloro-[1,4]-dioxinodipyridine (TCDDPy). With CPF on the cusp of being banned in several jurisdictions worldwide, the question might arise as to how to safely eliminate large stockpiles of this pesticide. Thermal methods such as incineration or thermal desorption of pesticide-contaminated soils are often employed. To assess the safety of thermal methods, information about the toxicants arising from thermal treatment is essential. The present flow reactor study reports the products detected under inert and oxidative conditions from the decomposition of CPF representative of thermal treatments and of wildfires in CPF-contaminated vegetation. Ethylene and TCpyol are the initial products formed at temperatures between 550 and 650 °C, although the detection of HOPOS as a reaction product has proven to be elusive. During pyrolysis of CPF in an inert gas, the dominant sulfur-containing product detected from CPF is carbon disulfide. Quantum chemical analysis reveals that ethylene and HOPOS undergo a facile reaction to form thiirane (c-C2H4S) which subsequently undergoes ring opening reactions to form precursors of CS2. At elevated temperatures (>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.
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Nova |
2020 |
Rashid MI, Benhelal E, Farhang F, Stockenhuber M, Kennedy EM, 'Magnesium Leachability of Mg-Silicate Peridotites: The Effect on Magnesite Yield of a Mineral Carbonation Process', MINERALS, 10 (2020) [C1]
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Nova |
2020 |
Yan P, Mensah J, Adesina A, Kennedy E, Stockenhuber M, 'Highly-dispersed Ni on BEA catalyst prepared by ion-exchange-deposition-precipitation for improved hydrodeoxygenation activity', Applied Catalysis B: Environmental, 267 (2020) [C1]
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Nova |
2020 |
Rashid MI, Benhelal E, Farhang F, Oliver TK, Stockenhuber M, Kennedy EM, 'Application of a concurrent grinding technique for two-stage aqueous mineral carbonation', Journal of CO2 Utilization, 42 (2020) [C1]
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Nova |
2020 |
Yan P, Drewery M, Mensah J, Mackie JC, Kennedy E, Stockenhuber M, 'Study on Catalyst Deactivation During the Hydrodeoxygenation of Model Compounds', Topics in Catalysis, 63 778-792 (2020) [C1]
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Nova |
2020 |
Zhao G, Drewery M, Mackie J, Oliver T, Kennedy EM, Stockenhuber M, 'The Catalyzed Conversion of Methane to Value-Added Products', Energy Technology, 8 (2020) [C1]
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Nova |
2020 |
Yan P, Bryant G, Li MMJ, Mensah J, Kennedy E, Stockenhuber M, 'Shape selectivity of zeolite catalysts for the hydrodeoxygenation of biocrude oil and its model compounds', Microporous and Mesoporous Materials, 309 (2020) [C1]
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Nova |
2019 |
Dharmarathne NK, Mackie JC, Lucas J, Kennedy EM, Stockenhuber M, 'Mechanisms of thermal decomposition of cyclodiene pesticides, identification and possible mitigation of their toxic products', Proceedings of the Combustion Institute, 37 1143-1150 (2019) [C1]
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Nova |
2019 |
Drewery M, Harvey L, Bryant G, Kennedy EM, Stockenhuber M, 'Utilization of Glycerol and its Derivatives in a Nickel-Based SOFC', Energy Technology, 7 80-85 (2019) [C1]
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Nova |
2019 |
Dharmarathne NK, Mackie JC, Kennedy EM, Stockenhuber M, 'Thermal oxidation of dieldrin and concomitant formation of toxic products including polychlorinated dibenzo-p-dioxin and dibenzofuran (PCDD/F)', Chemosphere, 225 209-216 (2019) [C1]
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Nova |
2019 |
Mowla O, Kennedy E, Stockenhuber M, 'Mass transfer and kinetic study on BEA zeolite-catalysed oil hydroesterification', Renewable Energy, 135 417-425 (2019) [C1]
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Nova |
2019 |
Wang J, Han W, Wang S, Tang H, Liu W, Li Y, et al., 'Synergistic catalysis of carbon-partitioned LaF3 -BaF2 composites for the coupling of CH4 with CHF3 to VDF', Catalysis Science and Technology, 9 1338-1348 (2019) [C1]
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Nova |
2019 |
Zhao G, Benhelal E, Adesina A, Kennedy E, Stockenhuber M, 'Comparison of Direct, Selective Oxidation of Methane by N2O over Fe-ZSM-5, Fe-Beta, and Fe-FER Catalysts', JOURNAL OF PHYSICAL CHEMISTRY C, 123 27436-27447 (2019) [C1]
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Nova |
2019 |
Rashid MI, Benhelal E, Farhang F, Oliver TK, Rayson MS, Brent GF, et al., 'Development of Concurrent grinding for application in aqueous mineral carbonation', Journal of Cleaner Production, 212 151-161 (2019) [C1]
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Nova |
2019 |
Benhelal E, Rashid MI, Rayson MS, Brent GF, Oliver T, Stockenhuber M, Kennedy EM, 'Direct aqueous carbonation of heat activated serpentine: Discovery of undesirable side reactions reducing process efficiency', Applied Energy, 242 1369-1382 (2019) [C1]
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Nova |
2019 |
Hou S, Altarawneh M, Kennedy EM, Mackie JC, Weber R, Dlugogorski BZ, 'Formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) from oxidation of 4,4'-dichlorobiphenyl (4,4'-DCB)', Proceedings of the Combustion Institute, 37 1075-1082 (2019) [C1]
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Nova |
2019 |
Farhang F, Oliver TK, Rayson MS, Brent GF, Molloy TS, Stockenhuber M, Kennedy EM, 'Dissolution of heat activated serpentine for CO2 sequestration: The effect of silica precipitation at different temperature and pH values', Journal of CO2 Utilization, 30 123-129 (2019) [C1]
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Nova |
2019 |
Rashid MI, Benhelal E, Farhang F, Oliver TK, Rayson MS, Brent GF, et al., 'ACEME: Direct Aqueous Mineral Carbonation of Dunite Rock', Environmental Progress and Sustainable Energy, 38 (2019) [C1]
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Nova |
2019 |
Benhelal E, Rashid MI, Rayson MS, Oliver TK, Brent G, Stockenhuber M, Kennedy EM, ' ACEME : Synthesis and characterization of reactive silica residues from two stage mineral carbonation process', Environmental Progress and Sustainable Energy, 38 (2019) [C1]
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Nova |
2019 |
Li JPH, Kennedy EM, Adesina AA, Stockenhuber M, 'Mechanistic insights into the Knoevenagel condensation reaction over ZnO catalysts: Direct observation of surface intermediates using in situ FTIR', Journal of Catalysis, 369 157-167 (2019) [C1]
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Nova |
2019 |
Mackie JC, Kennedy EM, 'Pyrolysis of Glyphosate and Its Toxic Products', ENVIRONMENTAL SCIENCE & TECHNOLOGY, 53 13742-13747 (2019) [C1]
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Nova |
2019 |
Kennedy E, Stockenhuber M, Oliver T, Brent G, Rayson M, 'Introduction to the special section: Papers from the International Conference on Accelerated Carbonation for Environmental and Material Engineering', ENVIRONMENTAL PROGRESS & SUSTAINABLE ENERGY, 38 (2019)
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2019 |
Oliver TK, Farhang F, Hodgins TW, Rayson MS, Brent GF, Molloy TS, et al., 'CO2 Capture Modeling Using Heat-Activated Serpentinite Slurries', ENERGY & FUELS, 33 1753-1766 (2019) [C1]
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Nova |
2019 |
Abu Fara A, Rayson MR, Brent GF, Oliver TK, Stockenhuber M, Kennedy EM, 'Formation of magnesite and hydromagnesite from direct aqueous carbonation of thermally activated lizardite', Environmental Progress and Sustainable Energy, 38 (2019) [C1]
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Nova |
2018 |
Benhelal E, Rashid MI, Rayson MS, Prigge JD, Molloy S, Brent GF, et al., 'Study on mineral carbonation of heat activated lizardite at pilot and laboratory scale', Journal of CO2 Utilization, 26 230-238 (2018) [C1]
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Nova |
2018 |
Shadravan V, Kennedy E, Stockenhuber M, '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', CATALYSIS TODAY, 307 277-285 (2018) [C1]
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Nova |
2018 |
Mowla O, Kennedy E, Stockenhuber M, 'Hydroesterification of bio-oils over HZSM-5, BETA and Y zeolites', CLEAN TECHNOLOGIES AND ENVIRONMENTAL POLICY, 20 727-738 (2018) [C1]
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Nova |
2018 |
Mosallanejad S, Dlugogorski BZ, Kennedy EM, Stockenhuber M, 'On the Chemistry of Iron Oxide Supported on -Alumina and Silica Catalysts', ACS Omega, 3 5362-5374 (2018) [C1]
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Nova |
2018 |
Kennedy EM, Mackie JC, 'Mechanism of the Thermal Decomposition of Chlorpyrifos and Formation of the Dioxin Analog, 2,3,7,8-Tetrachloro-1,4-dioxino-dipyridine (TCDDpy)', Environmental Science and Technology, 52 7327-7333 (2018) [C1]
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Nova |
2018 |
Cheng Y, Wang J, Han W, Song Y, Liu W, Yang L, et al., 'Catalytic coupling of CH4 with CHF3 for the synthesis of VDF over LaOF catalyst', GREENHOUSE GASES-SCIENCE AND TECHNOLOGY, 8 587-602 (2018) [C1]
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Nova |
2018 |
Hosseiniamoli H, Bryant G, Kennedy EM, Mathisen K, Nicholson D, Sankar G, et al., 'Understanding Structure-Function Relationships in Zeolite-Supported Pd Catalysts for Oxidation of Ventilation Air Methane', ACS CATALYSIS, 8 5852-5863 (2018) [C1]
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Nova |
2018 |
Benhelal E, Rashid MI, Holt C, Rayson MS, Brent G, Hook JM, et al., 'The utilisation of feed and byproducts of mineral carbonation processes as pozzolanic cement replacements', JOURNAL OF CLEANER PRODUCTION, 186 499-513 (2018) [C1]
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Nova |
2018 |
Mowla O, Kennedy E, Stockenhuber M, 'In-situ FTIR study on the mechanism of both steps of zeolite-catalysed hydroesterification reaction in the context of biodiesel manufacturing', Fuel, 232 12-26 (2018) [C1]
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Nova |
2018 |
Khan NA, Kennedy EM, Dlugogorski BZ, Adesina AA, Stockenhuber M, 'A proposed reaction mechanism for the selective oxidation of methane with nitrous oxide over Co-ZSM-5 catalyst forming synthesis gas (CO + H-2)', INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 43 13133-13144 (2018) [C1]
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Nova |
2018 |
Gaikwad V, Kennedy E, Mackie J, Holdsworth C, Molloy T, Kundu S, et al., 'Process for Chloroform Decomposition: Nonthermal Plasma Polymerization with Methane and Hydrogen', INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 57 9075-9082 (2018) [C1]
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Nova |
2017 |
Khan NA, Kennedy EM, Dlugogorski BZ, Adesina AA, Stockenhuber M, 'Reaction of nitrous oxide with methane to synthesis gas: A thermodynamic and catalytic study', JOURNAL OF ENERGY CHEMISTRY, 26 155-162 (2017) [C1]
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Nova |
2017 |
Li JPH, Adesina AA, Kennedy EM, Stockenhuber M, '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', Physical Chemistry Chemical Physics, 19 26630-26644 (2017) [C1]
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Nova |
2017 |
Khan NA, Kennedy EM, Dlugogorski BZ, Adesina AA, Stockenhuber M, 'Cobalt Species Active for Nitrous Oxide (N2O) Decomposition within a Temperature Range of 300-600 degrees C', AUSTRALIAN JOURNAL OF CHEMISTRY, 70 1138-1145 (2017) [C1]
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Nova |
2017 |
Altarawneh M, Jansson S, Kennedy EM, Mackie JC, Hou S, Dlugogorski BZ, 'Oxidation of 4-bromo-4'-chlorobiphenyl, model species for forming mixed halogenated aromatic compounds', International Journal of Environment and Pollution, 61 243-243 (2017)
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2017 |
Hou S, Dlugogorski BZ, Mackie JC, Kennedy EM, Jansson S, Altarawneh M, 'Oxidation of 4-bromo-4'-chlorobiphenyl, model species for forming mixed halogenated aromatic compounds', International Journal of Environment and Pollution, 61 243-260 (2017) [C1]
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Nova |
2017 |
Dharmarathne NK, Mackie JC, Kennedy EM, Stockenhuber M, 'Gas phase pyrolysis of endosulfan and formation of dioxin precursors of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F)', PROCEEDINGS OF THE COMBUSTION INSTITUTE, 36 1119-1127 (2017) [C1]
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Nova |
2017 |
Setiawan A, Kennedy EM, Stockenhuber M, 'Development of Combustion Technology for Methane Emitted from Coal-Mine Ventilation Air Systems', ENERGY TECHNOLOGY, 5 521-538 (2017) [C1]
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Nova |
2017 |
Dharmarathne NK, Mackie JC, Kennedy EM, Stockenhuber M, 'Mechanism and Rate of Thermal Decomposition of Hexachlorocyclopentadiene and Its Importance in PCDD/F Formation from the Combustion of Cyclodiene Pesticides', JOURNAL OF PHYSICAL CHEMISTRY A, 121 5871-5883 (2017) [C1]
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Nova |
2017 |
Stanger R, Tran QA, Smith N, Kennedy E, Stockenhuber M, Lucas J, Wall T, 'Separation and analysis of high range extractable molecules formed during coal pyrolysis using coupled thin layer chromatography-imaging mass spectrometry (TLC-LDI-IMS)', FUEL, 196 269-279 (2017) [C1]
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Nova |
2017 |
Mosallanejad S, Dlugogorski BZ, Kennedy EM, Stockenhuber M, 'Adsorption of 2-Chlorophenol on the Surface of Silica- and Alumina-Supported Iron Oxide: An FTIR and XPS Study', CHEMCATCHEM, 9 481-491 (2017) [C1]
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Nova |
2017 |
Suleiman IA, Stockenhuber M, Kennedy EM, 'A low energy pathway to CuCl2: A theoretical investigation', CHEMICAL PHYSICS LETTERS, 672 54-56 (2017) [C1]
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Nova |
2017 |
Farhang F, Rayson M, Brent G, Hodgins T, Stockenhuber M, Kennedy E, 'Insights into the dissolution kinetics of thermally activated serpentine for CO
The rate-determining step in the aqueous carbonation of serpentine minerals is the dissolution of Mg from serpentine. The dissolution rate of minerals largely depends on the pH of... [more]
The rate-determining step in the aqueous carbonation of serpentine minerals is the dissolution of Mg from serpentine. The dissolution rate of minerals largely depends on the pH of the solution and the size of serpentine particles. In the present work, an experimental method has been developed to study the dissolution rate of heat activated serpentine (lizardite polymorph) in a wide range of pH, solid to liquid ratio and particle size at room temperature. The results allowed us to determine the effect of these variables on the dissolution kinetics of heat activated lizardite, which represents crucial kinetic data for accurately modelling the carbonation rates of serpentinite. Additionally, amorphous Si re-precipitation at high solid to liquid (S/L) ratio and pH 6.1 was demonstrated. These provide essential data for the design and optimisation of industrial mineral carbonation processes. For the first time, the crackling core model (CCM) was applied to model the dissolution kinetics of heat activated lizardite in acidic solutions. Applying the CCM model to a wide range of particle sizes provides useful information on the mechanism of the dissolution of heat activated lizardite and the range of particle size for which the assumptions of the model are valid. Characterising serpentine particles leached under different conditions, along with analysing model parameters, provided a new insight into the mechanism of the dissolution of heat activated lizardite.
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Nova |
2016 |
Kundu SK, Kennedy EM, Mackie JC, Holdsworth CI, Molloy TS, Gaikwad VV, Dlugogorski BZ, 'Effect of methane on the conversion of HFC-134a in a dielectric barrier discharge non-equilibrium plasma reactor', Chemical Engineering Journal, 284 412-421 (2016) [C1]
The effect of methane on the conversion of HFC-134a (CF3CH2F) in a dielectric barrier discharge non-equilibrium plasma reactor was examined. Reactions were conducted in an argon b... [more]
The effect of methane on the conversion of HFC-134a (CF3CH2F) in a dielectric barrier discharge non-equilibrium plasma reactor was examined. Reactions were conducted in an argon bath gas and in the absence of oxygen and nitrogen. The products of the reaction include H2, HF, CHF3, CH2F2, C2H6, C3H8, C2H3F, CHF2CHF2, C2H4F2, C3H7F as well as a polymeric solid deposit. The polymeric materials are predominantly fluorine containing random copolymers, which can be categorised as fluoropolymers, constituted from various functional groups including CF3, CF2, CHF, CHF2, CH2F, CH2 and CH3. While the presence of methane in the feed stream reduces the conversion level of CF3CH2F, it also modifies the polymer architecture. The addition of 1.25% methane with 12.5% CF3CH2F in an argon bath gas at 100cm3min-1 feed rate reduces the conversion of CF3CH2F from 74.5% to 46.8% and increases the formation of HF from 1500µmolh-1 to 2640µmolh-1. The effect of methane addition on the electrical discharge and the reaction pathways are discussed.
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Nova |
2016 |
Sanchez G, Dlugogorski BZ, Kennedy EM, Stockenhuber M, 'Zeolite-supported iron catalysts for allyl alcohol synthesis from glycerol', APPLIED CATALYSIS A-GENERAL, 509 130-142 (2016) [C1]
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Nova |
2016 |
Gaikwad V, Kennedy E, Mackie J, Holdsworth C, Molloy S, Kundu S, et al., 'Reaction of dichloromethane under non-oxidative conditions in a dielectric barrier discharge reactor and characterisation of the resultant polymer', Chemical Engineering Journal, 290 499-506 (2016) [C1]
This paper presents the results of dichloromethane (DCM) decomposition to polymers utilising dielectric barrier discharge under non-oxidative reaction conditions. The conversion l... [more]
This paper presents the results of dichloromethane (DCM) decomposition to polymers utilising dielectric barrier discharge under non-oxidative reaction conditions. The conversion levels, mass balance, reaction mechanism and polymer characterisation in relation to DCM reaction are presented in this paper. Reaction pathways describing the decomposition of DCM and subsequent formation of the major products are outlined. Speculation of the mechanism of formation of CHCl3 and C2HCl3 are supported by quantum chemical calculations. In addition, the effect of introducing methane in the reaction feed on the conversion level of DCM and the polymer structure is also examined in this paper.
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Nova |
2016 |
Stanger R, Tran QA, Xie W, Smith N, Lucas J, Yu J, et al., 'The use of LDI-TOF imaging mass spectroscopy to study heated coal with a temperature gradient incorporating the plastic layer and semi-coke', Fuel, 165 33-40 (2016) [C1]
This work has used high range imaging mass spectrometry to study a coal sample that has undergone heating with a temperature gradient. A custom made hotplate was heated to 1000°C ... [more]
This work has used high range imaging mass spectrometry to study a coal sample that has undergone heating with a temperature gradient. A custom made hotplate was heated to 1000°C and the coal was allowed to heat naturally through conduction to produce a large thermal gradient typical of conditions in a coke oven. The sample was quenched, sectioned and analysed using laser desorption time of flight imaging mass spectrometry (LDI-TOF-IMS) to study the molecular changes that occur within the plastic layer and in the semi-coke. The raw coal was observed to have a molecular weight range between 500 and 20,000 Da with a peak occurring at 2000 Da. The plastic layer was observed to have a prevalence for increasing 500-1000 Da structures though this formed part of the larger molecular weight range. Resolidification of the plastic layer coincided with a rise in 4000 Da structures. The semi-coke spectrum had a series of repeating peaks separated by 24 Da extending from 1000 Da to 3000 Da. This was considered evidence of broad molecular ordering. A second phenomenon was observed in the semi-coke associated with low range molecular weights (50-300 Da). This appeared as high intensity signals in a molecular range typically considered as ion fragments (being too low in size to remain in the high vacuum environment). It was speculated that these low range structures may be associated with the coking of volatile tars exiting the hot-side of the plastic layer through high temperature semi-coke. Overall, this preliminary work provides a novel methodology to study the heating impacts during coking on a molecular level.
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Nova |
2016 |
Kundu SK, Kennedy EM, Mackie JC, Holdsworth CI, Molloy TS, Gaikwad VV, Dlugogorski BZ, 'Experimental investigation of the reaction of HCFC-22 and methane in a dielectric barrier discharge non-equilibrium plasma', Chemical Engineering Journal, 301 73-82 (2016) [C1]
A dielectric barrier discharge non-equilibrium plasma was employed to study the reaction of HCFC-22 (CHClF2) with methane (in an argon bath gas) at atmospheric pressure and in the... [more]
A dielectric barrier discharge non-equilibrium plasma was employed to study the reaction of HCFC-22 (CHClF2) with methane (in an argon bath gas) at atmospheric pressure and in the absence of oxygen and nitrogen. The reaction produced a fluorine-containing polymeric product, as well as gaseous species including H2, HF, HCl, CHF3, C2H3F, CH3Cl, CH2ClF, C2HClF4, CHCl2F, CH2Cl2 and CCl2F2. While the main polymeric fraction is non-crosslinked, a small portion of the solid product is crosslinked. The polymers contain a wide range of functional groups including CH3, CH2, CHCl, CHF, CHClF, CHF2, CF2 and CF3. The conversion level of CHClF2 increased from 53% to 78%, with an increment in input energy density from 3 kJ L-1 to 13 kJ L-1. A reaction mechanism is proposed explaining the formation of gaseous as well as polymeric products.
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Nova |
2016 |
Mosallanejad S, Dlugogorski BZ, Kennedy EM, Stockenhuber M, Lomnicki SM, Assaf NW, Altarawneh M, 'Formation of PCDD/Fs in Oxidation of 2-Chlorophenol on Neat Silica Surface', ENVIRONMENTAL SCIENCE & TECHNOLOGY, 50 1412-1418 (2016) [C1]
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Nova |
2016 |
Dharmarathne NK, Mackie JC, Kennedy EM, Stockenhuber M, 'Gas Phase Thermal Oxidation of Endosulfan and Formation of Polychlorinated Dibenzo-p-dioxins and Dibenzofurans', ENVIRONMENTAL SCIENCE & TECHNOLOGY, 50 10106-10113 (2016) [C1]
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Nova |
2016 |
Kundu SK, Kennedy EM, Mackie JC, Holdsworth CI, Molloy TS, Gaikwad VV, Dlugogorski BZ, 'Experimental Study on the Reaction of CCl3F and CH4 in a Dielectric Barrier Discharge Nonequilibrium Plasma Reactor', INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 55 463-471 (2016) [C1]
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Nova |
2016 |
Tran QA, Stanger R, Xie W, Lucas J, Yu J, Stockenhuber M, et al., 'Maceral separation from coal by the Reflux Classifier', FUEL PROCESSING TECHNOLOGY, 143 43-50 (2016) [C1]
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Nova |
2016 |
Setiawan A, Friggieri J, Hosseiniamoli H, Kennedy EM, Dlugogorski BZ, Adesina AA, Stockenhuber M, 'Towards understanding the improved stability of palladium supported on TS-1 for catalytic combustion', Physical Chemistry Chemical Physics, 18 10528-10537 (2016) [C1]
A novel Pd supported on TS-1 combustion catalyst was synthesized and tested in methane combustion under very lean and under highly humid conditions (<1%). A notable increase in... [more]
A novel Pd supported on TS-1 combustion catalyst was synthesized and tested in methane combustion under very lean and under highly humid conditions (<1%). A notable increase in hydrothermal stability was observed over 1900 h time-on-stream experiments, where an almost constant, steady state activity obtaining 90% methane conversion was achieved below 500 °C. Surface oxygen mobility and coverage plays a major role in the activity and stability of the lean methane combustion in the presence of large excess of water vapour. We identified water adsorption and in turn the hydrophobicity of the catalyst support as the major factor influencing the long term stability of combustion catalysts. While Pd/Al2O3 catalyst shows a higher turn-over frequency than that of Pd/TS-1 catalyst, the situation reversed after ca. 1900 h on stream. Two linear regions, with different activation energies in the Arrhenius plot for the equilibrium Pd/TS-1 catalyst, were observed. The conclusions were supported by catalyst characterization using H2-chemisorption, TPD, XPS analyses as well as N2-adsorption-desorption, XRD, SEM, TEM. The hydrophobicity and competitive adsorption of water with oxygen is suggested to influence oxygen surface coverage and in turn the apparent activation energy for the oxidation reaction.
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Nova |
2016 |
Farhang F, Oliver TK, Rayson M, Brent G, Stockenhuber M, Kennedy E, 'Experimental study on the precipitation of magnesite from thermally activated serpentine for CO2 sequestration', Chemical Engineering Journal, 303 439-449 (2016) [C1]
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2016 |
Sánchez G, Gaikwad V, Holdsworth C, Dlugogorski B, Kennedy E, Stockenhuber M, 'Catalytic conversion of glycerol to polymers in the presence of ammonia', Chemical Engineering Journal, 291 279-286 (2016) [C1]
In this contribution, the development of a process for the synthesis of potentially highly valuable polymeric products from the reaction of waste glycerol with ammonia is reported... [more]
In this contribution, the development of a process for the synthesis of potentially highly valuable polymeric products from the reaction of waste glycerol with ammonia is reported for the first time. The polymers were the result of a single step, continuous gas phase process, catalysed by an alumina-supported iron catalyst, operating under relatively mild reaction conditions. The solid product was characterised using 1D and 2D NMR spectroscopy, FTIR spectroscopy, qualitative chemical tests and elemental analysis. Characterisation revealed building blocks with unsaturated, amido and ester functionalities shaping a mixture of polymers. Nitrogen atoms were present in the main chain of the resultant polymers. NMR analyses of the polymer denotes the formation of structural defects such as unsaturation and branching; whilst the partial solubility of the polymer in solvents such as CDCl3 and THF is indicative of the formation of cross-linked structures. Insights into the mechanism of formation of these functional groups were based on the liquid and gas phase product distribution. Polymers with chain structures similar to those synthesised in this work are currently manufactured from fossil fuels and are widely used in biomedical applications not only because of their architecture but also due to their response to changes in pH and temperature.
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2015 |
Drewery M, Kennedy E, Alenazey F, Dlugogorski B, Stockenhuber M, 'The effect of synthesis gas composition on the performance of Ni-based solid oxide fuel cells', Chemical Engineering Research and Design, 101 22-26 (2015) [C1]
An increased interest in using hydrocarbons in solid oxide fuel cells for the production of power has led to research into operation on synthesis (syn) gas, a mixture of hydrogen ... [more]
An increased interest in using hydrocarbons in solid oxide fuel cells for the production of power has led to research into operation on synthesis (syn) gas, a mixture of hydrogen and carbon monoxide. Hydrocarbons are typically reformed, either internally or in an external reformer prior to the fuel cell, producing syngas with various H2:CO ratios depending on the hydrocarbon used. This paper examines the effect of varying the H2:CO ratio with respect to C1 to C4 steam reforming reactions and additionally a mixture containing a higher ratio of carbon monoxide. It was found that there was no significant relationship between cell performance and H2:CO ratio when a high feed rate was employed. For low flow rates, however, the high carbon monoxide concentration resulted in a significant decrease in cell performance. It was determined that this was caused by reversible carbon deposition as opposed to a decrease in carbon monoxide reactivity.
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2015 |
Setiawan A, Kennedy EM, Dlugogorski BZ, Adesina AA, Stockenhuber M, 'The stability of Co
Nano-sized Co3O4, Fe2O3, Au/Co3O4 and Au/Fe2O3 catalysts were prepared and evaluated for catalytic combustion of lean methane-air mixtures. Characteristics and catalytic activitie... [more]
Nano-sized Co3O4, Fe2O3, Au/Co3O4 and Au/Fe2O3 catalysts were prepared and evaluated for catalytic combustion of lean methane-air mixtures. Characteristics and catalytic activities under dry and wet feed conditions were investigated at gas hourly space velocities up to 100 000 h-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.
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2015 |
Harvey L, Kennedy E, Dlugogorski BZ, Stockenhuber M, 'Influence of impurities on the epoxidation of allyl alcohol to glycidol with hydrogen peroxide over titanium silicate TS-1', APPLIED CATALYSIS A-GENERAL, 489 241-246 (2015) [C1]
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2015 |
Dorado JB, Dlugogorski BZ, Kennedy EM, Mackie JC, Gore J, Altarawneh M, 'S-Nitrosation of Aminothiones.', J Org Chem, 80 6951-6958 (2015) [C1]
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2015 |
Suleiman IA, Radny MW, Gladys MJ, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Thermodynamic stability and structure of cuprous chloride surfaces: A DFT investigation', Physical Chemistry Chemical Physics, 17 7038-7045 (2015) [C1]
Density functional theory together with ab initio atomistic thermodynamics has been utilized to study the structures and stabilities of the low index CuCl surfaces. It is shown th... [more]
Density functional theory together with ab initio atomistic thermodynamics has been utilized to study the structures and stabilities of the low index CuCl surfaces. It is shown that the Cl-terminated structures are more stable than the Cu-terminated configurations, and that the defective CuCl(110)-Cu structure is more stable than the stoichiometric CuCl(110) surface. The equilibrium shape of a cuprous chloride nanostructure terminated by low-index CuCl surfaces has also been predicted using a Wulff construction. It was found that the (110) facets dominate at low chlorine concentration. As the chlorine concentration is increased, however, the contributions of the (100) and (111) facets to the Wulff construction also increase giving the crystal a semi-prism shape. At high chlorine concentration, and close to the rich limit, the (111) facets were found to be the only contributors to the Wulff construction, resulting in prismatic nanocrystals.
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2015 |
Tame NW, Dlugogorski BZ, Kennedy EM, 'PCDD/F formation in flaming combustion, smoldering, and oxidative pyrolysis of 'eco-friendly' treated wood', Proceedings of the Combustion Institute, 30 1237-1243 (2015) [C1]
© 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved. The emissions of polychlorinated dibenzo-p-dioxin and polychlorinated dibenzofuran (PCDD and PCDF)... [more]
© 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved. The emissions of polychlorinated dibenzo-p-dioxin and polychlorinated dibenzofuran (PCDD and PCDF) were assessed for wood impregnated with ammoniacal copper quaternary (ACQ) and copper boron azole (CBA). The two preservatives constitute the replacements for chromated copper arsenate (CCA) treatment, which is being phased out as a consequence of health concerns relating to arsenic and chromium compounds. The gaseous emission of PCDD/F from oxidative pyrolysis of CBA contained considerable amounts of PCDD/F of up to 7500 pg TE/Nm3. A large increase was also observed for the gaseous emission from smoldering of CBA following the oxidative pyrolysis, where 570 pg TE/Nm3 was detected. The ash residues of CBA remaining after the CBA emissions after oxidative pyrolysis and ensuing smoldering also showed significant propensity to yield PCDD and PCDF, resulting in 3200 ng TE/kg ash. In contrast, flaming combustion of the two treated timbers did not result in the emission of significant quantities of PCDD/F. The concentrations were quantified as 3.5 and 5.2 pg TE/Nm3 for the ACQ and CBA timber samples, and indicate no reasonable increase over that resulting from similar combustion of untreated Pinus radiata, 3.7 pg TE/Nm3. The smoldering of ACQ and CBA ash residues after flaming combustion generated PCDD/F, with the ashes containing 5.0 and 140 ng TE/kg ash, respectively. The increase in PCDD/F formation is discussed with respect to de novo formation in the ash and the influence Eof the wood preservatives.
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2015 |
Harvey L, Sánchez G, Kennedy EM, Stockenhuber M, 'Enhancing allyl alcohol selectivity in the catalytic conversion of glycerol; influence of product distribution on the subsequent epoxidation step', Asia-Pacific Journal of Chemical Engineering, 10 598-606 (2015) [C1]
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2015 |
Dorado JB, Dlugogorski BZ, Kennedy EM, Mackie JC, Gore J, Altarawneh M, 'Decomposition of S-nitroso species', RSC ADVANCES, 5 29914-29923 (2015) [C1]
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2015 |
Setiawan A, Friggieri J, Bryant G, Kennedy EM, Dlugogorski BZ, Stockenhuber M, 'Accelerated hydrothermal ageing of Pd/Al2O3 for catalytic combustion of ventilation air methane', Catalysis Science and Technology, 5 4008-4016 (2015) [C1]
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2014 |
Kundu SK, Kennedy EM, MacKie JC, Holdsworth CI, Molloy TS, Gaikwad VV, Dlugogorski BZ, 'Nonequilibrium plasma polymerization of HFC-134a in a dielectric barrier discharge reactor: Polymer characterization and a proposed mechanism for polymer formation', IEEE Transactions on Plasma Science, 42 3095-3100 (2014) [C1]
Nonequilibrium plasma polymerization of hydrofluorocarbon HFC-134a CF3 CH2F in argon bath gas has been studied in a dielectric barrier discharge reactor at atmospheric pressure an... [more]
Nonequilibrium plasma polymerization of hydrofluorocarbon HFC-134a CF3 CH2F in argon bath gas has been studied in a dielectric barrier discharge reactor at atmospheric pressure and in the absence of oxygen and nitrogen. The reaction resulted in the formation of a polymeric solid fraction and the noncrosslinked properties of this material assisted in its characterization by solution state 13C} and 19F nuclear magnetic resonance spectroscopy. Gel permeation chromatography revealed that the polymers include low (number average molecular weight, Mn values between 900 and 3000g~mol-1 and high (Mn approximately 60000 g~mol-1 molecular weight fractions. A detailed polymerization mechanism is proposed, based on the published literature and the findings of the current investigation.
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2014 |
Ghoorah M, Dlugogorski BZ, Balucan RD, Kennedy EM, 'Selection of acid for weak acid processing of wollastonite for mineralisation of CO
Typically, mineral carbonation comprises aqueous phase reactions involving the dissolution of naturally occurring magnesium and calcium silicate rocks, such as olivine, serpentini... [more]
Typically, mineral carbonation comprises aqueous phase reactions involving the dissolution of naturally occurring magnesium and calcium silicate rocks, such as olivine, serpentinites and wollastonite, followed by the precipitation of magnesium and calcium carbonate minerals. In this report, we evaluated the effect of formic, acetic and DL-lactic acids on the calcium-leaching process from wollastonite between 22 C and 80 C and at atmospheric pressure. OLI Analyzer Studio 3.0 predicted equilibrium conversions of calcium and its speciation in the aqueous phase. Additionally, we measured dissolution rates, for a constant pH system, as a function of temperature for the three organic acids. All experiments involved the reaction of 17 ± 1 µm (volume mean diameter) ground rock samples with the acids in a stirred batch reactor equipped with in situ pH measurements. Inductively coupled plasma-optical emission spectrometry (ICP-OES) analysed the concentration of calcium ions in the leaching medium while scanning electron microscopy/energy dispersive spectroscopy (SEM/EDS) examined the morphology and surface chemical composition of the residual solid phase from dissolution experiments. We estimated the maximum dissolution rates of wollastonite in the limit of low but achievable pH and in the absence of diffusion limitation in pores and cracks of the SiO 2 skin. At 80 C, these rates correspond to 26(±7) × 10-5, 14(±3) × 10-5 and 17(±4) × 10-5 mol m-2 s-1 for formic, acetic and DL-lactic acids, respectively. The apparent activation energies amount to 11 ± 3, 47 ± 13 and 52 ± 14 kJ mol-1 for dissolution in formic, acetic and DL-lactic acids, respectively. These values indicate the initial diffusion limitation in the film around wollastonite particles for formic acid, and kinetic limitation for acetic and DL-lactic acids. The rates of dissolution rapidly decline for acetic and DL-lactic acids, but remain high for formic acid. The findings are altogether indicative of high performance of formic acid for extraction of Ca2+ for storing CO 2. Further experiments are needed to assess the recycling of formic acid to determine its overall suitability as a Ca2+ carrier for the weak acid process. © 2014 Elsevier Ltd. All rights reserved.
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2014 |
Li JPH, Kennedy E, Stockenhuber M, 'Oxidative coupling and hydroxylation of phenol over transition metal and acidic zeolites: Insights into catalyst function', Catalysis Letters, 144 9-15 (2014) [C1]
Reaction of phenol with hydrogen peroxide over H-MFI, Fe-MFI, H-BEA, Fe-BEA and TS-1 zeolite catalysts was investigated. Over H-BEA, biphenyl product was observed. It is suggested... [more]
Reaction of phenol with hydrogen peroxide over H-MFI, Fe-MFI, H-BEA, Fe-BEA and TS-1 zeolite catalysts was investigated. Over H-BEA, biphenyl product was observed. It is suggested, that the larger pore size of H-BEA facilitates coupling of two phenol molecules. Two distinct reaction mechanisms are proposed for acid and redox catalysts. © 2013 Springer Science+Business Media New York.
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2014 |
Suleiman IA, Radny MW, Gladys MJ, Smith PV, Mackie JC, Stockenhuber M, et al., 'Water formation via HCl oxidation on Cu(100)', APPLIED SURFACE SCIENCE, 299 156-161 (2014) [C1]
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2014 |
Gaikwad V, Kennedy E, Mackie J, Holdsworth C, Molloy S, Kundu S, et al., 'Reaction of carbon tetrachloride with methane in a non-equilibrium plasma at atmospheric pressure, and characterisation of the polymer thus formed', Journal of Hazardous Materials, 280 38-45 (2014) [C1]
In this paper we focus on the development of a methodology for treatment of carbon tetrachloride utilising a non-equilibrium plasma operating at atmospheric pressure, which is not... [more]
In this paper we focus on the development of a methodology for treatment of carbon tetrachloride utilising a non-equilibrium plasma operating at atmospheric pressure, which is not singularly aimed at destroying carbon tetrachloride but rather at converting it to a non-hazardous, potentially valuable commodity. This method encompasses the reaction of carbon tetrachloride and methane, with argon as a carrier gas, in a quartz dielectric barrier discharge reactor. The reaction is performed under non-oxidative conditions. Possible pathways for formation of major products based on experimental results and supported by quantum chemical calculations are outlined in the paper. We elucidate important parameters such as carbon tetrachloride conversion, product distribution, mass balance and characterise the chlorinated polymer formed in the process. © 2014 Elsevier B.V.
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2014 |
Kundu SK, Kennedy EM, MacKie JC, Holdsworth CI, Molloy TS, Gaikwad VV, Dlugogorski BZ, 'Characterization of polymer synthesized from the nonequilibrium plasma conversion of CFC-12 and methane in a dielectric barrier discharge reactor', Industrial and Engineering Chemistry Research, 53 19380-19386 (2014) [C1]
A dielectric barrier discharge (DBD) nonequilibrium plasma reactor was employed to polymerize CFC-12 (CCl2F2, dichlorodifluoromethane) at atmospheric pressure. The plasma polymeri... [more]
A dielectric barrier discharge (DBD) nonequilibrium plasma reactor was employed to polymerize CFC-12 (CCl2F2, dichlorodifluoromethane) at atmospheric pressure. The plasma polymerization of this saturated halogenated hydrocarbon was conducted in the presence of methane as reactant, in an argon bath gas and where the reaction environment was free from oxygen and nitrogen. The reaction resulted in the formation of non-cross-linked polymer product and whereby the non-cross-linked nature of the polymer enabled its characterization by solution state 13C and 19F nuclear magnetic resonance (NMR) spectroscopic analysis. The generated polymer was also analyzed by Fourier transform infrared (FTIR) spectrometry, and the spectra thus obtained were consistent with the analysis by NMR. The analyses of NMR and FTIR spectroscopy reveal the formation of fluoropolymers from the conversion of CFC-12.
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Ghoorah M, Dlugogorski BZ, Oskierski HC, Kennedy EM, 'Study of thermally conditioned and weak acid-treated serpentinites for mineralisation of carbon dioxide', Minerals Engineering, 59 17-30 (2014) [C1]
This contribution assesses the dissolution behaviour of serpentinite specimens, featuring distinct stages of serpentinisation, by treating the specimens with aqueous solutions of ... [more]
This contribution assesses the dissolution behaviour of serpentinite specimens, featuring distinct stages of serpentinisation, by treating the specimens with aqueous solutions of formic acid. We have observed a marked improvement in the extraction of magnesium when the samples were finely ground and thermally conditioned before treatment with formic acid. An extraction of 42% for -25 µm particles activated at 700 °C (29% residual OH) could be obtained from the forsterite-lizardite bearing specimen whereas 66% of magnesium was leached out of the fully serpentinised antigorite mineral, which was crushed to a particle size of -53 µm and baked at 720 °C (36% residual OH). Combined results derived from FTIR and XRD indicate that heat activation between 500 and 720 °C results in a reorganisation of lizardite and antigorite to amorphised material, forsterite and silica. Unreactive enstatite forms from the amorphised material and silica once the heating temperature exceeds 800 °C. Semi-quantitative XRD analysis yields an estimate of the crystalline and non-crystalline (forsterite) fractions of the activated material, permitting approximation of relative rates of dissolution of amorphous and forsterite phases. Although FTIR provides important information on forsterite and silica formation, it cannot detect the amorphous material. Forsterite and amorphous phases alike dissolve in the weak acid but the formation of skins of the amorphous silica limits the overall magnesium yield on a laboratory time scale. The material that constitutes the skins originates from two sources: (i) silica formed in forsterisation of serpentine minerals undergoing heat treatment, and (ii) silica produced during extraction of Mg by a weak acid from amorphous and forsterite phases. Heat activation also leads to the formation of andradite and modified chlorite minerals that exhibit less solubility than forsterite and amorphous phases in weakly acidic medium.© 2014 Elsevier Ltd. All rights reserved.
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Oliver TK, Dlugogorski BZ, Kennedy EM, 'Biologically enhanced degassing and precipitation of magnesium carbonates derived from bicarbonate solutions', Minerals Engineering, 61 113-120 (2014) [C1]
This contribution reports the results of batch and semibatch experiments involving bubbling of nitrogen in aqueous solutions of magnesium bicarbonate, with and without the additio... [more]
This contribution reports the results of batch and semibatch experiments involving bubbling of nitrogen in aqueous solutions of magnesium bicarbonate, with and without the addition of either carbonic anhydrase (CA) or Scenedesmus alga to the solution. Precipitation of nesquehonite occurred during both an accelerated degassing of CO2 induced by sparging small nitrogen bubbles (representative diameter of 20 µm), and during slow degassing engendered by introducing large nitrogen bubbles (representative diameter of 5 mm). The response of the system during low rates of degassing closely approached quasi-thermodynamic predictions, which permitted an estimation of the level of supersaturation of nesquehonite, prior to the onset of precipitation. Small bubbles and CA significantly increased rates of degassing and indirectly the production of nesquehonite, as the rate of degassing can limit the precipitation process. The response of the system during rapid rates of degassing, prior to precipitation, was not entirely consistent with quasi-thermodynamic predictions. During precipitation, higher rates of degassing produced similar alkalisation and precipitation trends to that observed for lower rates of degassing. Our results agree with the formation of travertine deposits in nature, where the degassing of solutions enriched with inorganic carbon, and enhanced alkalisation by microorganisms, have been shown to influence carbonate formation. The results demonstrate a catalytic effect of CA on the rate limiting carbonate reactions, increasing CO2 exchange between nitrogen and water, and indirectly accelerating the precipitation of carbonates for a system controlled by rate of degassing. The results of this study have applications to large-scale storage of CO2 by mineralisation. © 2013 Elsevier Ltd. All rights reserved.
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Sánchez G, Friggieri J, Keast C, Drewery M, Dlugogorski BZ, Kennedy E, Stockenhuber M, 'The effect of catalyst modification on the conversion of glycerol to allyl alcohol', Applied Catalysis B: Environmental, 152-153 117-128 (2014) [C1]
Conversion of glycerol to allyl alcohol was carried out over an iron on alumina catalyst. With the aim of enhancing selectivity towards the desired product and to reduce acrolein ... [more]
Conversion of glycerol to allyl alcohol was carried out over an iron on alumina catalyst. With the aim of enhancing selectivity towards the desired product and to reduce acrolein formation (a detrimental impurity in the subsequent epoxidation of allyl alcohol) the supported iron catalyst was modified using alkali metals. It was found that lithium, sodium, potassium, rubidium and caesium deposition on the catalyst surface increased allyl alcohol yield and reduced the rate of catalyst deactivation. Coincidently, acrolein selectivity decreased by up to 75% following treatment with the alkali salt.Changes in the product distribution were determined to be associated with altering the acid/base properties of the catalyst, as confirmed by isopropanol dehydration/dehydrogenation, ammonia and carbon dioxide temperature programmed desorption. The treatment was also found to influence the physical properties of the catalyst surface. A correlation between acid to basic site concentration and allyl alcohol selectivity was established. A reduction in the former value results in an enhancement in the rate of allyl alcohol formation. A reaction mechanism was developed based on the effect of iron and alkali metals catalysing the conversion of glycerol into allyl alcohol. The proposed catalyst modification technique is a straightforward method, readily applicable at a larger scale due to the simplicity of the alkali inclusion and its striking influence on the reaction selectivity. © 2014.
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Khan NA, Kennedy EM, Dlugogorski BZ, Adesina AA, Stockenhuber M, 'Partial oxidation of methane with nitrous oxide forms synthesis gas over cobalt exchanged ZSM-5', CATALYSIS COMMUNICATIONS, 53 42-46 (2014) [C1]
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2014 |
Setiawan A, Friggieri J, Kennedy EM, Dlugogorski BZ, Stockenhuber M, 'Catalytic combustion of ventilation air methane (VAM)-long term catalyst stability in the presence of water vapour and mine dust', Catalysis Science and Technology, 4 1793-1802 (2014) [C1]
In this paper, we report new insights into the deactivation phenomenon of palladium based catalysts for catalytic combustion of ventilation air methane (VAM). It was found that th... [more]
In this paper, we report new insights into the deactivation phenomenon of palladium based catalysts for catalytic combustion of ventilation air methane (VAM). It was found that the primary factor responsible for low temperature catalyst deactivation is the water vapour present in the feed stream. The influence of water vapour on VAM was examined by comparing the properties of fresh catalysts with catalysts following over 1000 h reaction time-on-stream. The techniques applied to characterize the catalysts included TPD, XRD, N 2-isotherm adsorption, H2-chemisorption and XPS analyses. Alternating between dry and water vapour-saturated VAM feed disclosed ca. 50% reversible drop in activity. XPS analysis suggests an absence of a palladium hydroxide phase during the initial 2 h on stream, although prolonged exposure to the reactant leads to the formation of palladium hydroxide, which appears to match the progressive deactivation of the Pd/Al2O3 catalyst. Introduction of VAM dust (a mixture of fine coal, CaCO3 and aluminosilicate particles) causes a variation in catalytic activity originating from coal-dust ignition and the effect of chloride on the surface of the catalyst. In the presence of these inhibiting agents, an average methane conversion of higher than 75% over 1100 h was achieved at reaction temperatures below 600°C. This journal is © the Partner Organisations 2014.
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Sánchez G, Friggieri J, Adesina AA, Dlugogorski BZ, Kennedy EM, Stockenhuber M, 'Catalytic conversion of glycerol to allyl alcohol; Effect of a sacrificial reductant on the product yield', Catalysis Science and Technology, 4 3090-3098 (2014) [C1]
A continuous process for the conversion of glycerol to allyl alcohol, where ammonia or organic acids are added to the feed as sacrificial reductants, was investigated. Significant... [more]
A continuous process for the conversion of glycerol to allyl alcohol, where ammonia or organic acids are added to the feed as sacrificial reductants, was investigated. Significant enhancement on the rate of formation and yield of the allyl alcohol is observed with some of the reducing agents examined over an alumina-supported iron catalyst. Optimising the molar ratio of the reductant relative to feed glycerol results in an increase in the yield of allyl alcohol from 9% (in the absence of additives) to 11.3% with ammonia, 15.1% with ammonium hydroxide, 17.8% with oxalic acid and 19.5% with formic acid. Moreover, the addition of other organic acids, which are produced in a typical glycerol conversion experiment, was studied. However, acetic and propanoic acids had little effect on the rate of formation of allyl alcohol. Analysis of the product distribution in the liquid and gas phases when oxalic and formic acids were added suggests a two-step process for the formation of allyl alcohol under the operating conditions of the reaction; the initial step involves the dehydration of glycerol while the second comprises the reduction of the species produced in step one. © the Partner Organisations 2014.
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Setiawan A, Kennedy EM, Dlugogorski BZ, Adesina AA, Tkachenko O, Stockenhuber M, 'Evidence of the Formation of Surface Palladium Carbide during the Catalytic Combustion of Lean Methane/Air Mixtures', ENERGY TECHNOLOGY, 2 243-249 (2014) [C1]
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2013 |
Altarawneh MK, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Rate constants for reactions of ethylbenzene with hydroperoxyl radical', Combustion and Flame, 160 9-16 (2013) [C1]
A central step in the low-temperature oxidation of hydrocarbons is the abstraction of H by the hydroperoxyl radical (HO2). In this study, reaction rate constants are derived theor... [more]
A central step in the low-temperature oxidation of hydrocarbons is the abstraction of H by the hydroperoxyl radical (HO2). In this study, reaction rate constants are derived theoretically for H abstraction by HO2 from the three distinct locations of H in ethylbenzene (primary, secondary and aromatic H, with H on the ortho carbon taken as an example of unreactive aromatic H) as well as for the addition of HO2 at the four possible aromatic sites. Potential energy surface is mapped out based on the results of computations performed with the composite CBS-QB3 theoretical method. Rate constants are fitted to modified Arrhenius forms in the wide temperature range of 300-2000K. The dominant channel at all temperatures is found to be H abstraction from the secondary C of the ethyl chain with a rate constant expression of k=1.28×10-24T3.70exp-5100Tcm3molecule-1s-1. Abstraction from the primary C also contributes significantly at higher temperatures (>800K) with a rate constant expression of k=2.90×10-24T3.78exp-8400Tcm3molecule-1s-1. Reasonable agreement was obtained with the limited experimental data available in the literature. Addition at the four sites of the aromatic ring and abstraction of one of the C-H aromatic bonds are relatively unimportant over the temperature range studied. We also investigate the abstraction of H from the secondary C on the ethyl chain by triplet oxygen and report the associated rate expression. The results presented herein should be useful in modelling the oxidation of alkylbenzenes at lower temperatures. © 2012.
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Venpin WKPF, Kennedy EM, MacKie JC, Dlugogorski BZ, 'Comparative study of the physicochemical properties of ortho-substituted aromatic nitroso compounds', Journal of Chemical and Engineering Data, 58 1005-1010 (2013) [C1]
C-Nitroso compounds represent a class of chemical species with radical spin trapping capacity. They are widely employed to scavenge nitric oxide (NO) in biological and chemical sy... [more]
C-Nitroso compounds represent a class of chemical species with radical spin trapping capacity. They are widely employed to scavenge nitric oxide (NO) in biological and chemical systems and prospectively could be applied to reduce and control NO formation from important chemical processes. In this study, we examined the physicochemical properties of four ortho-substituted aromatic nitroso compounds, 3,5-dibromo-4-nitrosobenzenesulfonate (DBNBS), 4-nitrosobenzenesulfonate (NBS), 3,5-dimethyl-4-nitrosobenzenesulfonate (DMNBS), and 3,5-dichloro-4-nitrosobenzenesulfonate (DCNBS). These compounds, like most C-nitroso spin traps, exist in a monomer-dimer equilibrium, and only the monomeric form is active as a free radical spin scavenger. The influence of the aromatic ring substituent(s) on the dissociation of the dimer to give the monomer was investigated using UV-vis spectrophotometry. We describe the thermodynamic and kinetic parameters associated with the monomer-dimer equilibria, which allow us to provide a mechanistic understanding of NO trapping by C-nitroso compounds. © 2013 American Chemical Society.
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Oskierski HC, Bailey JG, Kennedy EM, Jacobsen G, Ashley PM, Dlugogorski BZ, 'Formation of weathering-derived magnesite deposits in the New England Orogen, New South Wales, Australia: Implications from mineralogy, geochemistry and genesis of the Attunga magnesite deposit', MINERALIUM DEPOSITA, 48 525-541 (2013) [C1]
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Juita, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Roles of peroxides and unsaturation in spontaneous heating of linseed oil', Fire Safety Journal, 61 108-115 (2013) [C1]
This contribution aims to elucidate the chemical aspects of the autoxidation of linseed oil that may lead to self-heating and fires, especially for linseed oil doped with salts of... [more]
This contribution aims to elucidate the chemical aspects of the autoxidation of linseed oil that may lead to self-heating and fires, especially for linseed oil doped with salts of transition metals, in the presence of an additional fuel, such as cotton. We examine the formation of peroxides, which function as important intermediates in the autoxidation reaction. In particular, we describe the relationship between the formation of peroxides and changes in the degree of unsaturation, together with other structural and compositional modifications occurring in the molecules of unsaturated fatty acid esters. Transition metal salt catalysts were found to decompose peroxides which had built up during the autoxidation reaction of linseed oil, thereby increasing the number of reactive radicals and resulting in higher product yields. Higher temperatures increased the rate of peroxide decomposition. The overall activation energy for peroxide formation corresponds to 71±1 kJ mol -1. FTIR analysis of oil film demonstrated the progressive decrease in the concentration of cis non-conjugated double bonds, formation of trans conjugated double bonds, appearance of hydroxyl groups and the broadening of the carbonyl peak. The overall rate of disappearance of double bonds follows first order kinetics with a rate constant of 0.030±0.007 h-1. © 2013 Elsevier Ltd.
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Venpin WKPF, Kennedy EM, Mackie JC, Dlugogorski BZ, 'Trapping of Nitric Oxide, Generated during Sensitization of Ammonium Nitrate Emulsion Explosive, by Aromatic Nitroso Sulfonates', INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 52 10561-10568 (2013) [C1]
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Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Theoretical investigation into the low-temperature oxidation of ethylbenzene', PROCEEDINGS OF THE COMBUSTION INSTITUTE, 34 315-323 (2013) [C1]
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2013 |
Summoogum SL, Wojtalewicz D, Altarawneh M, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Formation of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/F) by precursor pathways in oxidation of pesticide alpha-cypermethrin', PROCEEDINGS OF THE COMBUSTION INSTITUTE, 34 3499-3507 (2013) [C1]
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Nova |
2013 |
Gaikwad V, Kennedy E, Mackie J, Holdsworth C, Molloy S, Kundu S, Dlugogorski B, 'Non-Oxidative Conversion of 1,2-Dichloroethane in a Non-Thermal Plasma and Characterisation of the Polymer Formed', PLASMA PROCESSES AND POLYMERS, 10 141-149 (2013) [C1]
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Nova |
2013 |
Kundu SK, Kennedy EM, Mackie JC, Holdsworth CI, Molloy TS, Gaikwad VV, Dlugogorski BZ, 'Study on the Reaction of CCl2F2 with CH4 in a Dielectric Barrier Discharge Nonequilibrium Plasma', PLASMA PROCESSES AND POLYMERS, 10 912-921 (2013) [C1]
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Nova |
2013 |
Balucan RD, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'Energy cost of heat activating serpentinites for CO2 storage by mineralisation', INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL, 17 225-239 (2013) [C1]
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Nova |
2013 |
Hou S, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Comparative study on the formation of toxic species from 4-chlorobiphenyl in fires: Effect of catalytic surfaces', Procedia Engineering, 62 350-358 (2013) [C1]
This contribution compares the formation of toxic species, polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/F) and their precursors such as polychlorobenz... [more]
This contribution compares the formation of toxic species, polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/F) and their precursors such as polychlorobenzenes (PCBz) and polychlorophenols (PCP), during oxidation of 4-chlorobiphenyl (4-CB) in a laboratory-scale apparatus, under conditions similar to those that occur in fires and waste combustion. The experiments were conducted using two gas flow reactors made of 99.5% alumina and high purity quartz, respectively. A sampling system intercepted the gaseous products leaving the reactors, trapping the volatile organic compounds (VOC; i.e., PCBz and PCP) and PCDD/F on a XAD-2 cartridge. The analysis of VOC involved high resolution gas chromatography (HRGC) - quadrupole mass spectrometry (QMS) while HRGC - ion trap (IT) MS/MS quantitated the PCDD/F produced. For the experiments using the alumina reactor, VOC analysis revealed the formation of PCBz and PCP, commencing at temperatures as low as 400 °C. Other products included benzaldehyde, naphthalene, 3-ethylbenzaldehyde, 1-chloro-4-ethynylbenzene and benzofuran. Gaseous species such as CO, CO 2 and HCl were detected and quantitated either by Fourier transform infra-red spectroscopy (FTIR) or ion chromatography (IC). Similar products were found to form in the quartz reactor, however, their formation commenced at 500 °C, with their yields significantly lower than those found for the alumina reactor. The present measurements indicate that surface reactions govern the oxidation of 4-CB between 300 and 650 °C for the alumina reactor, and between 450 and 600 °C for the quartz reactor. At 700 °C, both reactors operate similarly, with the oxidation process dominated by the gas phase reactions. With respect to dibenzo-p-dioxins and dibenzofurans, only isomers of chlorinated monochlorodibenzofuran (MCDF) and chlorinated dichlorodibenzofuran (DCDF) were found at low temperatures (300 to 450 °C), with 3-MCDF as the dominant congener. In our system, they appear to form in gas phase reactions involving 4-CB and singlet oxygen (1Ag O2), the latter generated on the reactor walls. The present results indicate that the combustion of 4-CB in fires will be dominated by catalytic surfaces of fly ash below 600 °C, and by gas-phase kinetics above 700 °C. © 2013 International Association for Fire Safety Science.
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Nova |
2013 |
Mosallanejad S, Dlugogorski BZ, Kennedy EM, Stockenhuber M, 'HCl adsorption on copper-modified ZSM-5: FTIR and DFT study', Journal of Physical Chemistry C, 117 19365-19372 (2013) [C1]
The adsorption complex of hydrogen chloride on copper-modified ZSM-5 was studied by FTIR and theoretical calculations. The results indicate that the Cl atom of hydrogen chloride i... [more]
The adsorption complex of hydrogen chloride on copper-modified ZSM-5 was studied by FTIR and theoretical calculations. The results indicate that the Cl atom of hydrogen chloride is bound to the Cu cations when adsorbed at low pressures (<1 µbar). At higher pressures, HCl adsorbs on the zeolite Brønsted acid sites as well as is hydrogen bonded to the Cu in a larger cluster. Using in situ infrared spectroscopy, we observed a sharp decrease in stretching vibrational frequency of HCl of about 700 cm-1 compared with the H-Cl stretching vibration of gaseous hydrochloric acid. The findings were supported by density functional theory cluster quantum chemical calculations. © 2013 American Chemical Society.
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Nova |
2013 |
Ahmad K, Mowla O, Kennedy EM, Dlugogorski BZ, Mackie JC, Stockenhuber M, 'A Melamine-Modified ß-Zeolite with Enhanced CO2 Capture Properties', Energy Technology, 1 345-349 (2013) [C1]
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Nova |
2012 |
Summoogum S, Altarawneh M, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Oxidation of dibenzo-p-dioxin: Formation of initial products, 2-methylbenzofuran and 3-hydro-2-methylenebenzofuran', Combustion and Flame, 159 3056-3065 (2012) [C1]
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Nova |
2012 |
Dlugogorski BZ, Kennedy EM, Gann RG, 'Introduction to this special issue', Fire Technology, 48 547 (2012) [C3] |
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2012 |
Laundess AJ, Rayson MS, Dlugogorski BZ, Kennedy EM, 'Suppression performance comparison for aspirated, compressed-air and in situ chemically generated Class B foams', Fire Technology, 48 625-640 (2012) [C1]
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Nova |
2012 |
Rayson MS, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Accurate rate constants for decomposition of aqueous nitrous acid', Inorganic Chemistry, 51 2178-2185 (2012) [C1]
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Nova |
2012 |
Chen K, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Determination of toxic products released in combustion of pesticides', Progress in Energy and Combustion Science, 38 400-418 (2012) [C1]
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Nova |
2012 |
Juita, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Identification and quantitation of volatile organic compounds from oxidation of linseed oil', Industrial & Engineering Chemistry Research, 51 5645-5652 (2012) [C1]
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Nova |
2012 |
Juita, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Mechanism of formation of volatile organic compounds from oxidation of linseed oil', Industrial & Engineering Chemistry Research, 51 5653-5661 (2012) [C1]
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Nova |
2012 |
Venpin WKPF, Kennedy EM, Mackie JC, Dlugogorski BZ, 'Mechanistic study of trapping of NO by 3,5-dibromo-4-nitrosobenzene sulfonate', Industrial & Engineering Chemistry Research, 51 14325-14336 (2012) [C1]
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Nova |
2012 |
Kennedy EM, Kundu SK, Mackie JC, Holdsworth CI, Molloy TS, Gaikwad VV, Dlugogorski BZ, 'Conversion of fluorine-containing ozone-depleting and greenhouse gases to valuable polymers in a nonthermal plasma', Industrial and Engineering Chemistry Research, 51 11279-11283 (2012) [C1]
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Nova |
2012 |
Kundu SK, Kennedy EM, Gaikwad VV, Molloy TS, Dlugogorski BZ, 'Experimental investigation of alumina and quartz as dielectrics for a cylindrical double dielectric barrier discharge reactor in argon diluted methane plasma', Chemical Engineering Journal, 180 178-179 (2012) [C1]
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Nova |
2012 |
Foo SY, Cheng CK, Nguyen T-H, Kennedy EM, Dlugogorski BZ, Adesina AA, 'Carbon deposition and gasification kinetics of used lanthanide-promoted Co-Ni/Al 2O 3 catalysts from CH 4 dry reforming', Catalysis Communications, 26 183-188 (2012) [C1]
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Nova |
2012 |
Juita, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Low temperature oxidation of linseed oil: A review', Fire Science Reviews, 1 (2012) [C1]
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Nova |
2011 |
Juita, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Oxidation reactions and spontaneous ignition of linseed oil', Proceedings of the Combustion Institute, 33 2625-2632 (2011) [C1]
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Nova |
2011 |
Chen K, Wojtalewicz DA, Altarawneh M, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) in oxidation of captan pesticide', Proceedings of the Combustion Institute, 33 701-708 (2011) [C1]
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Nova |
2011 |
Suleiman IA, Radny MW, Gladys MJ, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Chlorination of the Cu(110) surface and copper nanoparticles: A density functional theory study', Journal of Physical Chemistry C, 115 13412-13419 (2011) [C1]
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Nova |
2011 |
Balucan RD, Kennedy EM, Mackie JC, Dlugogorski BZ, 'Optimization of antigorite heat pre-treatment via kinetic modeling of the dehydroxylation reaction for CO2 mineralization', Greenhouse Gases: Science and Technology, 1 294-304 (2011) [C1]
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Nova |
2011 |
Altarawneh M, Al-Muhtaseb AH, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Rate constants for hydrogen abstraction reactions by the hydroperoxyl radical from methanol, ethenol, acetaldehyde, toluene, and phenol', Journal of Computational Chemistry, 32 1725-1733 (2011) [C1]
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Nova |
2011 |
Suleiman IA, Mackie JC, Kennedy EM, Radny MW, Dlugogorski BZ, 'Quantum chemical study of copper (II) chloride and the Deacon reaction', Chemical Physics Letters, 501 215-220 (2011) [C1]
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Nova |
2011 |
Chen K, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Air pollutants formed in thermal decomposition of folpet fungicide under oxidative conditions', Environmental Science & Technology, 45 554-560 (2011) [C1]
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Nova |
2011 |
Laundess AJ, Rayson MS, Dlugogorski BZ, Kennedy EM, 'Small-scale test protocol for firefighting foams def(AUST)5706: Effect of bubble size distribution and expansion ratio', Fire Technology, 47 149-162 (2011) [C1]
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Nova |
2011 |
Rayson MS, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Experimental study of decomposition of aqueous nitrosyl thiocyanate', Inorganic Chemistry, 50 7440-7452 (2011) [C1]
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Nova |
2011 |
Summoogum S, Mackie JC, Kennedy EM, Delichatsios M, Dlugogorski BZ, 'Formation of toxic species and precursors of PCDD/F in thermal decomposition of alpha-cypermethrin', Chemosphere, 85 143-150 (2011) [C1]
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Nova |
2011 |
Chen K, Mackie JC, Wojtalewicz DA, Kennedy EM, Dlugogorski BZ, 'Toxic pollutants emitted from thermal decomposition of phthalimide compounds', Journal of Hazardous Materials, 187 407-412 (2011) [C1]
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Nova |
2011 |
Vo D-VN, Nguyen T-H, Kennedy EM, Dlugogorski BZ, Adesina AA, 'Fischer-Tropsch synthesis: Effect of promoter type on alumina-supported Mo carbide catalysts', Catalysis Today, 175 450-459 (2011) [C1]
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Nova |
2011 |
Hossain MF, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'First-principles study of the electronic, optical and bonding properties in dolomite', Computational Materials Science, 50 1037-1042 (2011) [C1]
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Nova |
2011 |
Hossain MF, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'Ab-initio electronic structure, optical, dielectric and bonding properties of lizardite-1T', Computational Materials Science, 50 1725-1730 (2011) [C1]
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Nova |
2011 |
Han W, Kennedy EM, Mackie JC, Dlugogorski BZ, 'Mechanistic study of the reaction of CHF3 with CH4', Chemical Engineering Journal, 166 822-831 (2011) [C1]
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Nova |
2011 |
Suleiman IA, Radny MW, Gladys MJ, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, 'An equilibrium ab initio atomistic thermodynamics study of chlorine adsorption on the Cu(001) surface', Physical Chemistry Chemical Physics, 13 10306-10311 (2011) [C1]
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Nova |
2010 |
Suleiman IA, Radny MW, Gladys MJ, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Interaction of Chlorine and Oxygen with the Cu(100) Surface', The Journal of Physical Chemistry C, 114 19048-19054 (2010) [C1]
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Nova |
2010 |
Althenayan FM, Yei Foo S, Kennedy EM, Dlugogorski BZ, Adesina AA, 'Bimetallic Co-Ni/Al2O3 catalyst for propane dry reforming: Estimation of reaction metrics from longevity runs', Chemical Engineering Science, 65 66-73 (2010) [C1]
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Nova |
2010 |
Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Theoretical study of reactions of HO2 in low-temperature oxidation of benzene', Combustion and Flame, 157 1325-1330 (2010) [C1]
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Nova |
2010 |
Chen K, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Thermal decomposition of captan and formation pathways of toxic air pollutants', Environmental Science & Technology, 44 4149-4154 (2010) [C1]
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2010 |
Han W, Kennedy EM, Liu H, Li Y, Adesina AA, Mackie JC, Dlugogorski BZ, 'Catalytic pyrolysis of CHF3 over activated carbon and activated carbon supported potassium catalyst', Journal of Fluorine Chemistry, 131 698-703 (2010) [C1]
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2010 |
Han W, Kennedy EM, Kundu SK, Mackie JC, Adesina AA, Dlugogorski BZ, 'Experimental and chemical kinetic study of the pyrolysis of trifluoroethane and the reaction of trifluoromethane with methane', Journal of Fluorine Chemistry, 131 751-760 (2010) [C1]
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2010 |
Hossain MF, Dlugogorski BZ, Kennedy EM, Belova IV, Murch GE, 'Electronic, optical and bonding properties of MgCO3', Solid State Communications, 150 848-851 (2010) [C1]
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Nova |
2010 |
Alsoufi A, Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC, 'A DFT study on the self-coupling reactions of the three isomeric semiquinone radicals', Journal of Molecular Structure: THEOCHEM, 958 106-115 (2010) [C1]
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Nova |
2010 |
Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, et al., 'Adsorption of 2-chlorophenol on Cu2O(111)-CuCUS: A first-principles density functional study', Applied Surface Science, 256 4764-4770 (2010) [C1]
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Nova |
2010 |
Han W, Kennedy EM, Mackie JC, Dlugogorski BZ, 'Conversion of CHF3 to CH2=CF2 via reaction with CH4 in the presence of CBrF3: An experimental and kinetic modelling study', Journal of Hazardous Materials, 180 181-187 (2010) [C1]
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2010 |
Han W, Kennedy EM, Mackie JC, Dlugogorski BZ, 'Conversion of a CFCs, HFCs and HCFCs waste mixture via reaction with methane', Journal of Hazardous Materials, 184 696-703 (2010) [C1]
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2010 |
Han W, Kennedy EM, Mackie JC, Dlugogorski BZ, 'Effect of methanol on the gas-phase reaction of trifluoromethane with methane', Industrial & Engineering Chemistry Research, 49 8406-8414 (2010) [C1]
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2010 |
Han W, Kennedy EM, Mackie JC, Dlugogorski BZ, 'Synthesis of vinylidene fluoride via reaction of chlorodifluoromethane (HCFC-22) with methane', Industrial and Engineering Chemistry Research, 49 6010-6019 (2010) [C1]
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2010 |
Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Theoretical study of unimolecular decomposition of catechol', Journal of Physical Chemistry A, 114 1060-1067 (2010) [C1]
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Nova |
2010 |
Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Thermochemical properties and decomposition pathways of three isomeric semiquinone radicals', Journal of Physical Chemistry A, 114 1098-1108 (2010) [C1]
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Nova |
2010 |
Rayson MS, Altarawneh M, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Theoretical study of the ammonia-hypochlorous acid reaction mechanism', Journal of Physical Chemistry A, 114 2597-2606 (2010) [C1]
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Nova |
2010 |
Altarawneh M, Al-Muhtaseb AH, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Theoretical study on the thermodynamic properties and self-decomposition of methylbenzenediol Isomers', Journal of Physical Chemistry A, 114 11751-11760 (2010) [C1]
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Nova |
2009 |
Tame NW, Dlugogorski BZ, Kennedy EM, 'Conversion of wood pyrolysates to PCDD/F', Proceedings of the Combustion Institute, 32 665-671 (2009) [C1]
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Nova |
2009 |
Luo C, Moghtaderi B, Kennedy EM, Dlugogorski BZ, 'Three-dimensional numerical study on flames', Chemical Product and Process Modeling, 4 Article 10 (2009) [C1]
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Nova |
2009 |
Luo C, Dlugogorski BZ, Kennedy EM, Moghtaderi B, 'Inhibition of premixed methane-air flames with CF3I', Chemical Product and Process Modeling, 4 Article 12 (2009) [C1]
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Nova |
2009 |
Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, et al., 'A first-principles density functional study of chlorophenol adsorption on Cu2O(110):CuO', Journal of Chemical Physics, 130 184505 (2009) [C1]
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Nova |
2009 |
Altarawneh M, Carrizo D, Ziolkowski AM, Kennedy EM, Dlugogorski BZ, Mackie JC, 'Pyrolysis of permethrin and formation of precursors of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) under non-oxidative conditions', Chemosphere, 74 1435-1443 (2009) [C1]
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Nova |
2009 |
Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Mechanisms for formation, chlorination, dechlorination and destruction of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs)', Progress in Energy and Combustion Science, 35 245-274 (2009) [C1]
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Nova |
2008 |
Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Quantum chemical and kinetic study of formation of 2-chlorophenoxy radical from 2-chlorophenol: Unimolecular decomposition and bimolecular reactions with H, OH, Cl, and O-2', Journal of Physical Chemistry A, 112 3680-3692 (2008) [C1]
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Nova |
2008 |
Altarawneh M, Kennedy EM, Dlugogorski BZ, Mackie JC, 'Computational study of the oxidation and decomposition of dibenzofuran under atmospheric conditions', Journal of Physical Chemistry A, 112 6960-6967 (2008) [C1]
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Nova |
2008 |
Han W, Yu H-S, Kennedy EM, Mackie JC, Dlugogorski BZ, 'Conversion of CHF3 to CH2 = CF2 via reaction with CH4 and CaBr2', Environmental Science & Technology, 42 5795-5799 (2008) [C1]
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Nova |
2008 |
Luo C, Dlugogorski BZ, Kennedy EM, 'Influence of CF3I and CBrF3 on methanol-air and methane-air premixed flames', Fire Technology, 44 221-237 (2008) [C1]
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2008 |
Schaefer TH, Dlugogorski BZ, Kennedy EM, 'Sealability properties of fluorine-free fire-fighting foams (FfreeF)', Fire Technology, 44 297-309 (2008) [C1]
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Nova |
2008 |
Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, '2-chlorophenol adsorption on Cu(100): First-principles density functional study', Surface Science, 602 1554-1562 (2008) [C1]
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Nova |
2008 |
Altarawneh M, Radny MW, Smith PV, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Adsorption of chlorophenol on the Cu(111) surface: A first-principles density functional theory study', Applied Surface Science, 254 4218-4224 (2008) [C1]
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Nova |
2008 |
Yu H, Kennedy EM, Ong W-H, Mackie JC, Han W, Dlugogorski BZ, 'Experimental and kinetic studies of gas-phase pyrolysis of n-C4F10', Industrial & Engineering Chemistry Research, 47 2579-2584 (2008) [C1]
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Nova |
2008 |
Luo C, Dlugogorski BZ, Moghtaderi B, Kennedy EM, 'Modified exponential schemes for convection-diffusion problems', Communications in Nonlinear Science and Numerical Simulation, 13 369-379 (2008) [C1]
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Nova |
2007 |
Tame NW, Dlugogorski BZ, Kennedy EM, 'Formation of dioxins and furans during combustion of treated wood', Progress in Energy and Combustion Science, 33 384-408 (2007) [C1]
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2007 |
Da Silva GR, Dlugogorski BZ, Kennedy EM, 'Elementary reaction step model of the N-nitrosation of ammonia', International Journal of Chemical Kinetics, 39 645-656 (2007) [C1]
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Nova |
2007 |
Da Silva GR, Kennedy EM, Dlugogorski BZ, 'Nucleophilic reactivity of aniline derivatives towards the nitroso group', Journal of Physical Organic Chemistry, 20 167-179 (2007) [C1]
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Nova |
2007 |
Moghtaderi B, Poespowati T, Kennedy EM, Dlugogorski BZ, 'The role of extinction on the re-ignition potential of wood-based embers in bushfires', International Journal of Wildland Fire, 16 547-555 (2007) [C1]
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2007 |
Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Quantum chemical investigation of formation of polychlorodibenzo-p-dioxins and dibenzofurans from oxidation and pyrolysis of 2-chlorophenol', Journal of Physical Chemistry A, 111 2563-2573 (2007) [C1]
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Nova |
2007 |
Da Silva GR, Kennedy EM, Dlugogorski BZ, 'Ab initio study of bonding between nucleophilic species and the nitroso group', Journal of Physical Chemistry A, 111 1300-1306 (2007) [C1]
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Nova |
2007 |
Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Theoretical study of reaction pathways of dibenzofuran and dibenzo-p-dioxin under reducing conditions', Journal of Physical Chemistry A, 111 7133-7140 (2007) [C1]
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Nova |
2007 |
Sun Q, Mackie JC, Dlugogorski BZ, Kennedy EM, 'Theoretical exploration of the potential energy surface of the HOI -\ HIO isomerization reaction', Chemical Physics Letters, 436 68-74 (2007) [C1]
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Nova |
2007 |
Sun Q, Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Catalytic effect of CuO and other transition metal oxides in formation of dioxins: Theoretical investigation of reaction between 2,4,5-trichlorophenol and NO', Environmental Science & Technology, 41 5708-5715 (2007) [C1]
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2007 |
Tame NW, Dlugogorski BZ, Kennedy EM, 'Formation of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/F) in fires of arsenic-free treated wood: Role of organic preservatives', Environmental Science and Technology, 41 6425-6432 (2007) [C1]
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2007 |
Dlugogorski BZ, Schaefer TH, Kennedy EM, 'Pressure-loss correlations for designing foam proportioning systems', Fire Technology, 43 123-144 (2007) [C1]
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2007 |
Yu H, Kennedy EM, Mackie JC, Dlugogorski BZ, 'Simultaneous conversion of CHClF2 and CH3Br to CH2CF2', Chemosphere, 68 2003-2006 (2007) [C1]
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2006 |
Hirunpraditkoon S, Dlugogorski BZ, Kennedy EM, 'Fire properties of surrogate refuse-derived fuels', Fire and Materials, 30 107-130 (2006) [C1]
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2006 |
Yu H, Mackie JC, Kennedy EM, Dlugogorski BZ, 'Experimental and quantum chemical study of the reaction CF2+CH3 CF2CH3 -\ CH2=CF2+H: A key mechanism in the reaction between methane and fluorocarbons', Industrial & Engineering Chemistry Research, 45 3758-3762 (2006) [C1]
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2006 |
Matthews MT, Dlugogorski BZ, Kennedy EM, 'The asymptotic structure of premixed tubular flames', Combustion and Flame, 144 838-849 (2006) [C1]
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2006 |
Matthews MT, Dlugogorski BZ, Kennedy EM, 'Influence of upstream versus downstream heat losson the structure and stability of planar premixed burner-stabilized flames', Combustion Science and Technology, 178 1373-1410 (2006) [C1]
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2006 |
Yu H, Kennedy EM, Adesina AA, Dlugogorski BZ, 'A review of CFC and halon treatment technologies - The nature and role of catalysts', Catalysis Surveys from Asia, 10 40-54 (2006) [C1]
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2006 |
Da Silva GR, Dlugogorski BZ, Kennedy EM, 'Water-in-oil emulsion foaming by thiourea nitrosation: Reaction and mass transfer', AICHE Journal, 52 1558-1565 (2006) [C1]
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Nova |
2006 |
Da Silva GR, Dlugogorski BZ, Kennedy EM, 'An experimental and theoretical study of the nitrosation of ammonia and thiourea', Chemical Engineering Science, 61 3186-3197 (2006) [C1]
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2006 |
Yu H, Kennedy EM, Mackie JC, Dlugogorski BZ, 'An experimental and kinetic modeling study of the reaction of CHF3 with methane', Environmental Science & Technology, 40 5778-5785 (2006) [C1]
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Nova |
2006 |
Da Silva GR, Kennedy EM, Dlugogorski BZ, 'Ab initio procedure for aqueous-phase pKa calculation: The acidity of nitrous acid', Journal of Physical Chemistry A, 110 11371-11376 (2006) [C1]
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Nova |
2006 |
Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC, 'Quantum chemical study of low temperature oxidation mechanism of dibenzofuran', Journal of Physical Chemistry A, 110 13560-13567 (2006) [C1]
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Nova |
2005 |
Yu H, Kennedy EM, Uddin A, Sullivan SP, Dlugogorski BZ, 'Experimental and computational studies of the thermal decomposition of Halon 1211', International Journal of Chemical Kinetics, 37 134-146 (2005) [C1]
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2005 |
Yu H, Kennedy EM, Uddin A, Sakata Y, Dlugogorski BZ, 'Gas-phase and Pd-catalyzed hydrodehalogenation of CBrClF2, CCl2F2, CHClF2, and CH2F2', Industrial & Engineering Chemistry Research, 44 3442-3452 (2005) [C1]
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2005 |
Da Silva GR, Kennedy EM, Dlugogorski BZ, 'Effect of added nucleophilic species on the rate of primary amino acid nitrosation', Journal of the American Chemical Society, 127 3664-3665 (2005) [C1]
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2005 |
Yu H, Kennedy EM, Uddin A, Sullivan SP, Dlugogorski BZ, 'Experimental and computational studies of the gas-phase reaction of halon 1211 with hydrogen', Environmental Science & Technology, 39 3020-3028 (2005) [C1]
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2004 |
Luo C, Dlugogorski BZ, Moghtaderi B, Kennedy EM, 'Computational study on toxic gases released from compartment fires suppressed with halogenated agents', Cybernetics and Systems, 35 607-625 (2004) [C1]
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2004 |
Da Silva GR, Kennedy EM, Dlugogorski BZ, 'Integrated Kinetic and Thermodynamic Model Describing the Nitrosation of Aniline and Its Derivatives under Reaction - and Encounter-Controlled Conditions', Industrial & Engineering Chemistry Research, 43 2296-2301 (2004) [C1]
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2004 |
Kennedy EM, Uddin MA, Dlugogorski BZ, 'Catalytic treatment of halons and CFCs - Preface', CATALYSIS TODAY, 88 91-91 (2004)
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2004 |
Yu H, Kennedy EM, Uddin A, Adesina AA, Dlugogorski BZ, 'Conversion of halon 1211 (CBrCIF2) over supported Pd catalysts', Catalysis Today, 97 205-215 (2004) [C1]
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Nova |
2004 |
Yu H, Kennedy EM, Uddin A, Dlugogorski BZ, 'Catalytic hydrodehalogenation of halon 1211 (CBrCIF2) over y-alumina-supported Ni, Pd and Pt catalysts', Catalysis Today, 88 183-194 (2004) [C1]
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Nova |
2004 |
Kennedy EM, Uddin A, Dlugogorski BZ, 'Preface - Catalysis Today', Catalysis Today, 88 91 (2004) [C3]
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Nova |
2004 |
Hardiman KM, Yig TT, Adesina AA, Kennedy EM, Dlugogorski BZ, 'Performance of a Co-Ni catalyst for propane reforming under low steam-to-carbon ratios', Chemical Engineering Journal, 102 119-130 (2004) [C1]
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2004 |
Dlugogorski BZ, Kennedy EM, 'Foamspex: Large-scale foam application - modelling of foam spread and extinguishment', Fire Safety Journal, 39 161-163 (2004) [C3] |
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2003 |
Wang H, Dlugogorski BZ, Kennedy EM, 'Analysis of the Mechanics of the Low-Temperature Oxidation of Coal', Combustion and Flame, 134 107-117 (2003) [C1]
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2003 |
Wang H, Dlugogorski BZ, Kennedy EM, 'Role of Inherent Water in Low-Temperature Oxidation of Coal', Combustion Science & Technology, 175 253-270 (2003) [C1]
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2003 |
Tame NW, Dlugogorski BZ, Kennedy EM, 'Assessing Influence of Experimental Parameters on Formation of PCDD/F from Ash Derived from Fires of CCA-Treated Wood', Environmental Science & Technology, 37 4148-4156 (2003) [C1]
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2003 |
Uddin A, Kennedy EM, Dlugogorski BZ, 'Gas-Phase Reaction of CC12F2 (CFC-12) with Methane', Chemosphere, 53 1189-1191 (2003) [C1]
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2003 |
Tame NW, Dlugogorski BZ, Kennedy EM, 'Increased PCDD/F Formation in the Bottom Ash from Fires of CCA-Treated Wood', Chemosphere, 50 1261-1263 (2003) [C1]
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2003 |
Wang H, Dlugogorski BZ, Kennedy EM, 'Coal Oxidation at Low Temperatures: Oxygen Consumption, Oxidation Products, Reaction Mechanism and Kinetic Modelling', Progress in Energy and Combustion Science, 29 487-513 (2003) [C1]
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2003 |
Wang H, Dlugogorski BZ, Kennedy EM, 'Pathways for Production of CO2 and CO in Low-Temperature Oxidation of Coal', Energy & Fuels, 17 150-158 (2003) [C1]
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2003 |
Uddin A, Kennedy EM, Yu H, Sakata Y, Dlugogorski BZ, 'Catalytic Process for the Conversion of Halon 1211 (CBrCIF2) to Halon 1301 (CBrF3) and CFC 13 (CCIF3)', Industrial & Engineering Chemistry Research, 42 6000-6006 (2003) [C1]
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2003 |
Yu H, Kennedy EM, Uddin A, Dlugogorski BZ, 'Catalytic Hydrodehalogenation of halon 1211 (CBrCIF2) Over Carbon-Supported Palladium Catalysts', Applied Catalysis, 44 253-261 (2003) [C1]
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Nova |
2002 |
Wang H, Dlugogorski BZ, Kennedy EM, 'Kinetic modeling of low-temperature oxidation of coal', Combustion and Flame, 131 452-469 (2002) [C1]
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2002 |
Wang H, Dlugogorski BZ, Kennedy EM, 'Oxygen consumption by a bituminous coal: time dependence of the rate of oxygen consumption', Combustion Science and Technology, 174(9) 147-167 (2002) [C1]
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2002 |
Wang H, Dlugogorski BZ, Kennedy EM, 'Thermal decomposition of solid oxygenated complexes formed by coal oxidation at low temperatures', Fuel, 81 1913-1923 (2002) [C1]
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2002 |
Moghtaderi B, Poespowati T, Dlugogorski BZ, Kennedy EM, 'Short communication: application of a surrogate material in assessing the impact of porosity on re-ignition of wood-based materials', Fire and Materials, 26 99-101 (2002) [C1]
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2002 |
Kennedy EM, Dlugogorski BZ, Da Silva GR, 'Nucleophilic catalysis of nitrosation: relationship between nitrosating agent equilibrium constant and catalyst nucleophilicity', Journal of Chemical Research-S, 12 589-590 (2002) [C1]
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2002 |
Howe RF, Thomson S, Yang Y, Lee K-Y, Kennedy EM, Dlugogorski BZ, 'Zeolite catalysts for Halon conversion', Journal of Molecular Catalysis A: Chemical, 181 63-72 (2002) [C1]
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2002 |
Dlugogorski BZ, Hichens RK, Kennedy EM, 'Inert hydrocarbon-based refrigerants', Fire Safety Journal, 37 53-65 (2002) [C1]
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2002 |
Bhargava A, Dlugogorski BZ, Kennedy EM, 'Emission of polyaromatic hydrocarbons, polychlorinated biphenyls and polychlorinated dibenzo-p-dioxins and furans from fires of wood chips', Fire Safety Journal, 37 659-672 (2002) [C1]
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2002 |
Wang H, Dlugogorski BZ, Kennedy EM, 'Examination of CO2, CO, and H2O formation during low-temperature oxidation of a bituminous coal', Energy & Fuels, 16 586-592 (2002) [C1]
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2002 |
Yu H, Kennedy EM, Dlugogorski BZ, 'Gas-Phase reaction of Halon 1301 (CBrF3) with propane', Industrial and Engineereing Chemistry Research, 41 2858-2863 (2002) [C1]
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2001 |
Tran R, Kennedy EM, Dlugogorski BZ, 'Gas-phase reaction of Halon 1211 (CBrCIF2) with methane', Industrial & Engineering Chemistry Research, 40 3139-3143 (2001) [C1]
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Nova |
2000 |
Li K, Kennedy EM, Dlugogorski BZ, 'Experimental and computational studies of the pyrolysis of CBrF3 and the reaction of CBrF3 with CH4', Chemical Engineering Science, 55 4067-4078 (2000) [C1]
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2000 |
Li K, Kennedy EM, Dlugogorski BZ, Howe RF, 'Non-oxidative reaction of CBrF3 with methane over NiZSM-5 and HZSM-5', Catalysis Today, 63 355-362 (2000) [C1]
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2000 |
Moghtaderi B, Dlugogorski BZ, Kennedy EM, 'Effects of wind flow on self-heating characteristics of coal stockpiles', Trans IChemE, 78, Part B 445-453 (2000) [C1]
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2000 |
Moghtaderi B, Dlugogorski BZ, Kennedy EM, 'A kinetic study on the production of toxic compounds in enclosure fires under suppression of halon replacement extinguishing agents', Dev Chem Eng Min Proc, 8(1/2) 113-129 (2000) [C1]
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2000 |
Li K, Oghanna FSM, Kennedy EM, Dlugogorski BZ, Fazeli A, Thomson S, Howe R, 'Pyrolysis of halon 1301 over zeolite catalysts', Microporous and Mesoporous Materials, 35-36 219-226 (2000) [C1]
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2000 |
Li K, Kennedy EM, Moghtaderi B, Dlugogorski BZ, 'Experimental and computational studies on the gas-phase reaction of CBrF3 with hydrogen', Environmental Science & Technology, 34 No.4 584-590 (2000) [C1]
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1999 |
Wang H, Dlugogorski BZ, Kennedy EM, 'Theoretical analysis of reaction regimes in low-temperature oxidation of coal', Fuel, 78 1073-1081 (1999) [C1]
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1999 |
Height MJ, Kennedy EM, Dlugogorski BZ, 'Thermal conductivity detector relative molar response factors for halogenated compounds', Journal of Chromatography A, 841 187-195 (1999) [C1]
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1999 |
Kennedy EM, Moghtaderi B, Dlugogorski BZ, 'A process for disposal of Halon 1301 (CBrF3)', Chem.Eng.Comm., 176 195-200 (1999) [C1]
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1999 |
Wang H, Dlugogorski BZ, Kennedy EM, 'Experimental study on low-temperature oxidation of an Australian coal', Energy & Fuels, 13 1173-1179 (1999) [C1]
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1999 |
Li K, Kennedy EM, Dlugogorski BZ, 'Gas-phase reaction of Halon 1301 (CBrF3) with methane', Ind.Eng.Chem.Res., 38 3345-3352 (1999) [C1]
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1999 |
Li K, Kennedy EM, Dlugogorski BZ, Howe R, 'Catalytic reaction of methane with CBrF3', Chem Comm, 8 709-710 (1999) [C1]
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1998 |
Moghtaderi B, Dlugogorski BZ, Kennedy EM, Fletcher DJ, 'Effects of the Structural Properties of Solid Fuels on their Re-Ignition Characteristics', Fire and Materials, 22 155-165 (1998) [C1]
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1998 |
Wang H, Dlugogorski BZ, Kennedy EM, 'Low-Temperature Oxidation of Coal at Elevated Pressures', Journal of Loss Prevention in the Process Industries, 11 373-381 (1998) [C1]
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1998 |
Li K, Kennedy EM, 'Adsorption of n-Butane and n-Heptane on 5A Zeolite', Separation Science and Technology, 33(11) 1571-1584 (1998) [C1]
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1998 |
Dlugogorski BZ, Hichens RK, Kennedy EM, Bozzelli JW, 'Propagation of Laminar Flames in Wet Premixed Natural Gas-Air Mixtures', Trans IChemE, 76,Part B 81-89 (1998) [C1]
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1994 |
KENNEDY EM, LONYI F, BALLINGER TH, ROSYNEK MP, LUNSFORD JH, 'CONVERSION OF BENZENE TO SUBSTITUTED AROMATIC PRODUCTS OVER ZEOLITE CATALYSTS AT ELEVATED PRESSURES', ENERGY & FUELS, 8 846-850 (1994)
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1993 |
CANT NW, KENNEDY EM, NELSON PF, 'MAGNITUDE AND ORIGIN OF THE DEUTERIUM KINETIC ISOTOPE EFFECT DURING METHANE COUPLING AND RELATED REACTIONS OVER LI/MGO CATALYSTS', JOURNAL OF PHYSICAL CHEMISTRY, 97 1445-1450 (1993)
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1992 |
KENNEDY EM, CANT NW, 'OXIDATIVE DEHYDROGENATION OF ETHANE AND THE COUPLING OF METHANE OVER SODIUM CONTAINING CERIUM OXIDES', APPLIED CATALYSIS A-GENERAL, 87 171-183 (1992)
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1991 |
Yong YS, Kennedy EM, Cant NW, 'Oxide catalysed reactions of ethylene oxide under conditions relevant to ethylene epoxidation over supported silver', Applied Catalysis, 76 31-48 (1991)
Further reactions of ethylene oxide over oxide supports have been investigated in the context of the oxidation of ethylene to ethylene oxide using supported silver. As noted by ot... [more]
Further reactions of ethylene oxide over oxide supports have been investigated in the context of the oxidation of ethylene to ethylene oxide using supported silver. As noted by others, high area aerosil type silicas have low activity for the isomerisation of ethylene oxide to acetaldehyde and silver supported on such materials exhibits good selectivity for ethylene epoxidation. By contrast silver supported on TiO2 and ¿-Al2O3 shows zero selectivity and this correlates with the high activity of these supports for further reactions of ethylene oxide. In the case of ¿-Al2O3 there is complete conversion of ethylene oxide at 239°C in the presence or absence of oxygen. Acetaldehyde is the major organic product in both cases but dioxane and small amounts of 2,3-butanedione, ethyl acetate and an unidentified compound, probably an unstable C4, are also observed. With oxygen present some carbon oxides are seen. In the absence of oxygen the amount of the unknown is greater and the gaseous mass balance is incomplete. With TiO2 the distribution amongst the major products is similar to that for ¿-Al2O3 but the conversion of ethylene oxide is much less. In situ infrared measurements with TiO2 show that ethylene oxide reacts instantaneously with surface hydroxyl groups to form a glycol like species. Reaction of acetaldehyde over TiO2 and ¿-Al2O3occurs at a much slower rate than that of ethylene oxide under the same conditions. The dominant product is 2-butenal. Thus the C4 products formed when using ethylene oxide do not arise by further reaction of acetaldehyde. Formation of the major organics from both ethylene oxide and acetaldehyde can be accounted for in terms of catalysis by weak Brønsted acid sites. Silicas have little activity for the further reaction of acetaldehyde but silver supported on them induce oxidation of it. It is concluded that the zero selectivity of silver supported on TiO2 and ¿-Al2O3 for ethylene epoxidation is due to isomerisation of ethylene oxide to acetaldehyde on the support followed by complete oxidation on the silver. © 1991.
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1991 |
Nelson PF, Kennedy EM, Cant NW, 'Isotopic labelling studies of the mechanism of the catalytic oxidative coupling of methane', Studies in Surface Science and Catalysis, 61 89-95 (1991)
The conversion and selectivities of methane-, ethane- and ethylene-oxygen mixtures have been determined for a Li/MgO catalyst at temperatures of 600¿750°C. Kinetic isotope effects... [more]
The conversion and selectivities of methane-, ethane- and ethylene-oxygen mixtures have been determined for a Li/MgO catalyst at temperatures of 600¿750°C. Kinetic isotope effects and H/D distributions have also been determined from studies using D labelling of ethane as C2D6 and CH3CD3. The importance of CH3O2 as a source of low temperature COx from CH4 is demonstrated; by contrast the low thermal stability of C2H5O2, and the preferred reaction channel (to C2H4+HO2) make conversion of C2H6 to C2H4 highly selective. © 1991 Elsevier Science Publishers B.V.
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1991 |
CANT NW, KENNEDY EM, OSSIPOFF NJ, 'THE PARTIAL OXIDATION OF NORBORNENE OVER A SILVER CATALYST UNDER STEADY-STATE CONDITIONS', CATALYSIS LETTERS, 9 133-144 (1991)
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1988 |
Garnett JL, Kennedy EM, Long MA, Than C, Watson AJ, 'Hydrogen isotope labelling of organic compounds catalysed by microporous aluminophosphates: Specificity of tritium gas exchange', Journal of the Chemical Society, Chemical Communications, 763-764 (1988)
Microporous aluminophosphate (ALPO) catalysts are shown to have high activity and unique specificity for exchange between elemental tritium gas and both aromatic and branched alip... [more]
Microporous aluminophosphate (ALPO) catalysts are shown to have high activity and unique specificity for exchange between elemental tritium gas and both aromatic and branched aliphatic compounds, suggesting their applicability as catalysts in a range of other reactions.
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