https://novaprd-lb.newcastle.edu.au/vital/access/manager/Index ${session.getAttribute("locale")} 5 https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:42740  600°C) lead to selective formation of a small number of lower-chlorinated pollutants, whereas reactive surfaces, as evident from literature, engender catalytic (but non-selective) appearance of a large number of higher-chlorinated and toxic chloroaryl congeners, even at temperature of less than 300°C. Results from the density functional theory (DFT) calculations indicate that, majority of the detected congeners of PCDF arise from the oxidative transformation of the parent 4,4′-DCB; i.e., not from the commonly suggested precursors of chlorinated phenols and benzenes. Our findings have significant importance to understanding the emission of PCB and PCDD/F in combustion processes.]]> Wed 24 May 2023 15:48:24 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:51163 Wed 23 Aug 2023 17:30:50 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:51161 Wed 23 Aug 2023 17:23:28 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:33723 ortho substituted PXB as a model species yields a large number of halogenat ed compounds, including monochloro- and monobromobenzene and higher halogenated benzenes and naphthalenes and derivatives of halogenated benzenes (such as 1-chloro-4-ethynylbenzene). We also detect small amounts of chlorinated and mixed halogenated dibenzofurans. The present study provides insights into the formation of several classes of halogenated and mixed-halogenated pollutants in combustion processes involving both bromine and chlorine sources, such as those of brominated flame retardants and PVC plastics.]]> Wed 12 Dec 2018 15:55:08 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:13197 2CHCl₂) group bonded to a tetrahydrophthalimide (C₆H₈(CO)₂N-) moiety. The experiments were performed on a bench type apparatus, under conditions representing both under and well-ventilated non-flaming fires. The analyses of gaseous species relied on Fourier transform infra-red spectroscopy (FTIR) and micro gas chromatography (μGC), resulting in the identification and quantification of 11 gaseous products; among them, phosgene, thiophosgene and hydrogen cyanide. Gas chromatography - quadrupole mass spectrometry (GC-QMS) was employed to analyse the condensed products and volatile organic compounds (VOC), while a GC equipped with an ion trap mass spectrometer (GC-ITMS) was used to quantify polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F). The GC-QMS analysis determined several VOC toxicants; viz., trichloroethylene, tetrachloroethylene, benzonitrile and chlorinated benzenes. At higher temperature (600 °C), the oxidation of captafol led to the formation of mono- to hepta- CDD/F congeners including the most toxic 2,3,7,8-TCDD. In addition, the experimental results were compared to those of the other two sulfenimide fungicides, captan and folpet, both of which contain the thiotrichloromethyl (-SCCl₃) moiety rather than the thiotetrachloroethyl group of captafol. It appears that the thiotetrachloroethyl group in captafol is responsible for the difference in the toxic pollutants formed, particularly influencing the distribution and yields of PCDD/F congeners. Combined with quantum chemical calculations, the results presented in this article provide an insightful understanding of fire chemistry of the sulfenimide fungicides, especially the pathways to the formation of major toxicants during the oxidative thermal decomposition of captafol.]]> Wed 11 Apr 2018 17:02:01 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:13196 -1 and 384 pg ΣTEQ-WHO₂₀₀₅ g^-1 of alpha-cypermethrin. 1-monochlorodibenzofuran was ranked as the most abundant congener. We also conducted the analyses of volatile organic compounds (VOC) attempting to identify the PCDD/F precursors by means of HRGCquadrupole mass spectrometry (QMS). The results of VOC revealed chlorobenzene, diphenyl ether, benzaldehyde, chlorotoluene, dichlorotoluene as important PCDD/F precursors.]]> Wed 11 Apr 2018 16:17:39 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:23789 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 (¹Δ_g 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.]]> Wed 11 Apr 2018 16:10:06 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:17853 2 adsorption capacity and selectivity, in the presence of water vapour. The dynamic adsorption capacity of CO₂ on NaY-TETA, prepared with varying loadings of amine, was examined. Following modification, the surface properties of the adsorbent were changed, as evident by examining the adsorption and desorption isotherms of CO₂ from wet gas streams. The modified materials display excellent CO₂ uptake under humid conditions. A mechanism describing the interaction of CO₂ on the surface suggests a transformation from a mainly physical to chemical bonding due to modification of the surface functional groups on TETA. In addition, multicyclic use of NaY-TETA suggests that it could be an ideal sorbent for CO₂ capture from flue gases.]]> Wed 11 Apr 2018 13:09:32 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:13198 Wed 11 Apr 2018 12:06:37 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9025 Wed 11 Apr 2018 10:57:30 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:21742 1Δ_g), and their propagation underpin the mechanism of oxidation of linseed oil, leading to the self-heating and formation of volatile organic species and higher molecular weight compounds. The review also discusses the role of metal complexes of cobalt, iron and manganese in catalysing the oxidative drying of linseed oil, summarising some kinetic parameters such as the rate constants of the peroxidation reactions. With respect to fire safety, the classical theory of self-ignition does not account for radical and catalytic reactions and appears to offer limited insights into the autoignition of lignocellulosic materials soaked with linseed oil. New theoretical and numerical treatments of oxidation of such materials need to be developed. The self-ignition induced by linseed oil is predicated on the presence of both a metal catalyst and a lignocellulosic substrate, and the absence of any prior thermal treatment of the oil, which destroys both peroxy radicals and singlet O₂ sensitisers. An overview of peroxyl chemistry included in the article will be useful to those working in areas of fire science, paint drying, indoor air quality, biofuels and lipid oxidation.]]> Wed 11 Apr 2018 10:16:39 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:7987 Wed 11 Apr 2018 10:05:26 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:44270 2 content in the feed gas and corresponds to 6.24 ng TEQ WHO 2005/mg of dieldrin and total PCDD/F concentration of 96.8 ng/mg of dieldrin.]]> Wed 10 May 2023 09:36:08 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:54618 Wed 06 Mar 2024 10:46:13 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:48752 Wed 05 Apr 2023 13:48:45 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:54420 Tue 27 Feb 2024 13:52:27 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:50674 Tue 01 Aug 2023 14:59:08 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:42556 650 °C), TCpyol undergoes both decarbonylation and dehydroxylation reactions together with decomposition of its primary product, TCpyol. A substantial number of toxicants is observed, including HCN and several nitriles, including cyanogen. No CS2 is observed under oxidative conditions - sulfur dioxide is the fate of S in oxidation of CPF, and quantum chemical studies show that SO2 formation is initiated by the reaction between HOPOS and O2. The range of toxicants produced in thermal decomposition of CPF is summarised.]]> Thu 25 Aug 2022 10:37:16 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:40849 Thu 21 Jul 2022 15:35:13 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:43270 Thu 15 Sep 2022 11:55:26 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:31498 2. This process has been studied by quantum chemical calculation, and a reaction potential energy surface has been developed. The rate constant of initial Cl atom fission has been calculated by canonical variational transition state theory as k = 1.45 × 10¹⁵ exp(−222 ± 9 kJ mol^–1/RT) s^–1 between 500 and 2000 K. A minimal kinetic model was developed to model the decomposition and major products. Oxidative decomposition was studied in nitrogen with O₂ contents of 1, 6, 12, and 20 mol %. Increasing O₂ to 6–8% increased the rate of decomposition of HCCP and decreased the yield of 8ClNP. Above 823 K, hexachlorobenzene (HCB) and CO became major products. The oxidative reaction has also been studied quantum chemically. At high O₂ content (>∼10%), the rate of decomposition of HCCP declined as did yields of 8ClNP and HCB, but CO yields increased]]> Sat 24 Mar 2018 08:44:07 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9350 Sat 24 Mar 2018 08:36:28 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9349 Sat 24 Mar 2018 08:36:28 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9345 Sat 24 Mar 2018 08:36:27 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:8041 Sat 24 Mar 2018 08:35:04 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:8082 Sat 24 Mar 2018 08:34:28 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:1077 Sat 24 Mar 2018 08:32:09 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:996 Sat 24 Mar 2018 08:29:49 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:15275 Sat 24 Mar 2018 08:24:13 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:12365 Sat 24 Mar 2018 08:18:30 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:12434 Sat 24 Mar 2018 08:15:28 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9983 Sat 24 Mar 2018 08:14:25 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9981 Sat 24 Mar 2018 08:14:24 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:10420 Sat 24 Mar 2018 08:12:38 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:10414 Sat 24 Mar 2018 08:12:38 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:12272 Sat 24 Mar 2018 08:10:13 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:12273 Sat 24 Mar 2018 08:10:12 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:12285 Sat 24 Mar 2018 08:10:11 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9797 Sat 24 Mar 2018 08:10:03 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9799 Sat 24 Mar 2018 08:10:03 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9804 Sat 24 Mar 2018 08:10:02 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9800 Sat 24 Mar 2018 08:10:02 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9905 Sat 24 Mar 2018 08:07:40 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9907 Sat 24 Mar 2018 08:07:40 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:9906 Sat 24 Mar 2018 08:07:40 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:20459 Sat 24 Mar 2018 08:06:54 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:21380 2. A simplified rate law based on the known elementary reaction mechanism provides an excellent fit to the experimental data. The rate constant, 1.34 × 10^–6 M^–1 s^–1, is thought to be of higher accuracy than those in the literature as it does not depend on the rate of parallel reaction pathways or on the rate of interphase mass transfer of gaseous reaction products. The activation energy for the simplified rate law was established to be 107 kJ mol^–1. Quantum chemistry calculations indicate that the majority of the large activation energy results from the endothermic nature of the equilibrium 2HNO₂ ⇄ NO + NO₂ + H₂O. The rate constant for the reaction between nitrate ions and nitrous acid, which inhibits HNO₂ decomposition, was also determined.]]> Sat 24 Mar 2018 08:04:59 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:17541 2). In this study, we calculate energy profiles for the sequence: reactant + HO₂ → [complex of reactants] → transition state → [complex of products] → product + H₂O₂ for methanol, ethenol (i.e., C₂H₃OH), acetaldehyde, toluene, and phenol. Rate constants are provided in the simple Arrhenius form. Reasonable agreement was obtained with the limited literature data available for acetaldehyde and toluene. Addition of HO₂ to the various distinct sites in phenol is investigated. Direct abstraction of the hydroxyl H was found to dominate over HO₂ addition to the ring. The results presented herein should be useful in modeling the lower temperature oxidation of the five compounds considered, especially at low temperature where the HO₂ is expected to exist at reactive levels.]]> Sat 24 Mar 2018 08:03:57 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:20543 Sat 24 Mar 2018 08:02:40 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:21793 Sat 24 Mar 2018 07:59:24 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:17212 Sat 24 Mar 2018 07:59:17 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:18974 Sat 24 Mar 2018 07:58:55 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:21813 –1 exothermic, respectively. Metal catalysts decompose hydroperoxides based on the Fenton-like mechanism into alkoxyl and peroxyl radicals.]]> Sat 24 Mar 2018 07:58:40 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:17931 Sat 24 Mar 2018 07:56:36 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:17930 Sat 24 Mar 2018 07:56:36 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:17893 – ion selective electrode. The reaction results in the formation of nitric oxide and thiocyanogen, the latter decomposing to sulfate and hydrogen cyanide in aqueous solution. The rate of consumption of ONSCN depends strongly on the concentration of SCN^– ions and is inhibited by nitric oxide. We have developed a reaction mechanism that comprises three parallel pathways for the decomposition of ONSCN. At high thiocyanate concentrations, two reaction pathways operate including a second order reaction to generate NO and (SCN)₂ and a reversible reaction between ONSCN and SCN^– producing NO and (SCN)₂^–, with the rate limiting step corresponding to the consumption of (SCN)₂^– by reaction with ONSCN. The third reaction pathway, which becomes significant at low thiocyanate concentrations, involves formation of a previously unreported species, ONOSCN, via a reaction between ONSCN and HOSCN, the latter constituting an intermediate in the hydrolysis of (SCN)₂. ONOSCN contributes to the formation of NO via homolysis of the O–NO bond and subsequent dimerization and hydrolysis of OSCN. Fitting the chemical reactions of the model to the experimental measurements, which covered a wide range of reactant concentrations, afforded estimation of all relevant kinetic parameters and provided an excellent match. The reaction mechanism developed in this contribution may be applied to predict the rates of NO formation from ONSCN during the synthesis of azo dyes, the gassing of explosive emulsions, or nitrosation reactions occurring in the human body.]]> Sat 24 Mar 2018 07:56:25 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:17963 Sat 24 Mar 2018 07:56:22 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:20190 Sat 24 Mar 2018 07:51:32 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:20188 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.]]> Sat 24 Mar 2018 07:51:32 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:20193 Sat 24 Mar 2018 07:51:31 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:18537 Sat 24 Mar 2018 07:50:11 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:5163 Sat 24 Mar 2018 07:49:41 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:6220 Sat 24 Mar 2018 07:44:24 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:5224 Sat 24 Mar 2018 07:44:20 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:26093 Sat 24 Mar 2018 07:39:55 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:26110 –1 (the applied voltage range was 14.1 to 15.2 kV, peak–peak). The electrical discharge was characterized and found to be a slight modification of filamentary discharge toward a diffuse discharge due to the presence of the relatively low concentration of CCl₃F and CH₄ (less than 2% each) in argon. A reaction mechanism is proposed describing the formation of gas phase, as well as polymeric products.]]> Sat 24 Mar 2018 07:39:53 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:27420 eq corresponds to 559-382 M(⁻²) for thioacetamide (TA, 15-25 °C) and 12600-5590 M(⁻²) for thiourea (TU, 15-35 °C), whereas the reaction enthalpies amount to -27.10 ± 0.05 kJ for TA and -29.30 ± 0.05 kJ for TU. Theoretical calculations via a thermochemical cycle agree well with reaction free energies from experiments, with errors of -2-4 kJ using solvation method SMD in conjunction with hybrid meta exchange-correlation functional M05-2X and high-accuracy multistep method CBS-QB3 for gas-phase calculations. The kinetic rates increase with acidity at activation energies of 54.9 (TA) and 66.1 kJ·mol(-1) (TU) for the same temperature range, confirming activation-controlled reactions. At pH 1 and below, the main decomposition pathway for the S-nitroso species leads to formation of nitric oxide.]]> Sat 24 Mar 2018 07:35:23 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:27674 Sat 24 Mar 2018 07:33:52 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:30335 -1 to 13 kJ L^-1. A reaction mechanism is proposed explaining the formation of gaseous as well as polymeric products.]]> Sat 24 Mar 2018 07:31:46 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:25623 X emissions from industrial processes. In the present study, we examined the in situ reaction of DBNBS with nitric oxide (NO), generated via the reduction of nitrite under acidic conditions at room temperature. Significant quantities of N₂ were detected during the reaction using the membrane inlet mass spectrometer (MIMS), which suggested the homolytic cleavage of the C–N bond of a diazenyl radical, formed by decomposition of a DBNBS-NO adduct is a key reaction step which occurs during trapping. Measurements by nanostructured assisted laser desorption ionization mass spectrometer (NALDI-MS) established that the primary product from the reaction was 3,4,5-trinitrobenzene sulfonate, with a molecular weight of 291.880 amu. The technique also disclosed the formation of other nitrobenzene products. The results obtained in the present study provide evidence of a new, competing reaction pathway occurring in the presence of added nitrite, whereby a nitro group is introduced in the aromatic system by coupling with a phenyl radical to yield a radical anion, which reacts readily with the electrophile N₂O₃, also present in the system.]]> Sat 24 Mar 2018 07:28:12 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:28906 −1 (applied voltage range is 13.4–14.8 kV, peak-peak). The relatively low input feed concentration of CCl₂F₂ and methane in the argon bath gas modifies the strong filamentary appearance of the pure argon discharge to a more diffuse appearance.]]> Sat 24 Mar 2018 07:25:59 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:4437 Sat 24 Mar 2018 07:22:47 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:4438 Sat 24 Mar 2018 07:22:47 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:3410 Sat 24 Mar 2018 07:21:36 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:3500 Sat 24 Mar 2018 07:20:36 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:4449 Sat 24 Mar 2018 07:18:06 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:4445 Sat 24 Mar 2018 07:18:05 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:24020 -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.]]> Sat 24 Mar 2018 07:16:44 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:23823 Sat 24 Mar 2018 07:12:50 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:46654 N-methylaminomethylphosphonic acid, have been located. Both the initial products decompose to dimethylamine (DMA), and the mechanism of further decomposition and toxic products is explored. Global potential energy surfaces for the initial decomposition of DMA are presented together with chemical kinetic modeling wherein the rate constants employed have been calculated from the quantum chemical data. Time and temperature evolution of the expected toxic products are presented and discussed.]]> Mon 28 Nov 2022 17:29:39 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:32361 Mon 28 May 2018 11:46:59 AEST ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:21503 25 mol %) concentrations of potassium in the crystallisation solution; mol % is based only on K+ and NH4+. Co-recrystallised salts were characterise using X-ray diffraction (XRD), Scanning electron microscopy - energy dispersive spectroscopy (SEM-EDS), Inductively coupled plasma - optical emission spectroscopy (ICP-OES), and Thermogravimetric analyser and differential scanning calorimeter (TGA/DSC). In addition, we report concentration profiles of NO during thermal analyses of corecrystallised potassium ammonium nitrates. The results obtained from thermal decomposition of the co-recrystallised potassium ammonium nitrate salts showed decrease in production of NO. and 3-5 mol % K was the optimal concentration when compared with pure AN.]]> Mon 20 Nov 2023 15:36:38 AEDT ]]> https://novaprd-lb.newcastle.edu.au/vital/access/manager/Repository/uon:37366 Mon 19 Oct 2020 11:19:27 AEDT ]]>