Bogdan Z Dlugogorski

• DSc PhD MEng BSc(Chem Eng) BSc(Geophys)
• Deputy Vice-Chancellor Research & Innovation at Charles Darwin University

NFPA and EN design standards for systems of firefighting foams devolve the problem of flow calculations for each foam concentrate to the product manufacturers. The data provided by manufacturers do not represent the engineering specifications needed for foam system design. This contribution examines the rheology of foam concentrates, comprising thr...

Kilns consume about half of the energy necessary to operate lithium refineries and their decarbonisation requires accurate modelling of the calcination of spodumene concentrates fed to the process. This contribution applies the isoconversional methodology to investigate the kinetic parameters of the transition of α-spodumene to its high temperature...

Metal oxides and hydroxides reduce the emission of brominated compounds during pyrolysis of plastics containing brominated flame retardants (BFR). Calcium hydroxide is very effective when used with legacy BFR but is yet to be tested with novel BFR. This study investigates the effectiveness of calcium hydroxide in capturing bromine from 2, 4, 6-tris...

NFPA and EN design standards for systems of firefighting foams suggest applying the Hazen-Williams formula to predict the pressure drop associated with pumping of foam solutions. The empirical Hazen-Williams formula pertains only to water at room temperature, which is a Newtonian fluid. In this contribution, we examine the rheology of six foam solu...

Alumina oxides have been widely utilised as independent catalysts or as support materials for other catalysts. From an environmental perspective, alumina nanoclusters dispersed on surfaces of particulate matter PM12, generated from various combustion processes, play a critical role in the synthesis of environmentally persistent free radicals (EPFRs...

Lithium extraction from α-spodumene by hydroalkaline treatment: Recent progress and outstanding considerations

This contribution reports the effects of product recovery methods on the yields and properties of hydrochars produced from hydrothermal carbonization (HTC) of algal biomass. A slurry of Chlorella vulgaris with 10 wt% of solid loading was hydrothermally carbonized at 180 – 220 °C with holding time of 15 and 60 min. The resulting hydrochars were reco...

The conventional processing of β-spodumene involves calcination at about 1100 °C, digestion with concentrated sulfuric acid at 250 °C, and several purification stages that identify the process with high energy, feedstock, and by-product intensity. In addition to the low-value by-product of sodium sulfate (Na2SO4), the disposal cost of another by-pr...

Muscovite is an indicator mineral helping to elucidate the evolution of pegmatites and evaluate their economic potential for lithium. However, the ability of muscovite to record late-stage hydrothermal alteration of spodumene remains poorly constrained. In the unzoned Bald Hill pegmatite, hosted by Archean metasediments, muscovite is present as cm-...

Diboron trioxide is of interest because of its unique unreactive functionality properties. In this work we have studied – via computational first-principle techniques - the adsorption and dissociation mechanisms of two hydrogen chalcogenides, namely water (H2O) and hydrogen sulfide (H2S) molecules, over the B2O3 -I (101) surface. We show that the w...

Heat-treatment of serpentine minerals generates structural amorphicity and increases reactivity during subsequent mineral carbonation, a strategy for large-scale sequestration of CO2. This study employs thermal analyses (TGA-DSC) in conjunction with in-situ synchrotron powder X-ray diffraction (PXRD) to record concurrent mass loss, heat flow, and m...

This contribution evaluates the impacts of reaction conditions on the yields and properties of biocrude and aqueous phase from hydrothermal carbonization (HTC) of Chlorella vulgaris (solid loading: 10.0 wt %) at 180 – 220 °C for 15 and 60 min. The results indicate that increasing HTC temperature (THTC) from 180 to 220 °C enhances biocrude yield fro...

We have organized the content of this chapter as follows: Based on the classification of the test methods, sections 16.2–16.6 explain the calorimetric test methods adopted in practice for the examination of phenomena of spontaneous combustion affecting solid materials. Furthermore, section 16.2 provides the details of the experimental set-ups, intr...

GSA Connects 2022 meeting in Denver, Colorado Paper No. 257-8 Presentation Time: 3:40 PM STRATEGIES TO IMPROVE SUSTAINABILITY OF LITHIUM EXTRACTION FROM SPODUMENE CHISCHI, J.1, OSKIERSKI, Hans1, NCUBE, T.1, ALHADAD, M.F.1, ABDULLAH, A.1, SENANAYAKE, G.2 and DLUGOGORSKI, B.Z.3, (1)Sustainable Geochemistry and Mineral Sciences, Murdoch University,...

This paper looks at the fire extinguishing processes for foam fire extinguishing at the point of impact of the foam onto the fuel. The foam and fuel will mix. The paper reports flammability experiments for foam-fuel mixtures and finds large differences between fluorosurfactant foams and fluorine free foams. Additionally, the paper also looks are po...

Post-ore alteration of spodumene in LCT pegmatites affects the chemical and mineralogical composition and, consequently, the quality of spodumene ores. However, the mechanism of alteration and the effect on spodumene grade and processing are poorly understood. Here we present the mineralogy and mineral chemistry of spodumene samples of white, grey...

Thermal decomposition of high-fluorine content PFAS streams for the disposal of old generations of concentrates of firefighting foams, exhausted ion-exchanged resins and granular activated carbon, constitutes the preferred method for destruction of these materials. This contribution studies the thermal transformation of perfluoropentanoic acid (C4F...

In this study we present the first Mg isotope data that record the fate of Mg during mineralisation of atmospheric CO2 in ultramafic mine tailings. At the Woodsreef Asbestos Mine, New South Wales, Australia, weathering of ultramafic mine waste sequesters significant amounts of CO2 in hydromagnesite [Mg5(CO3)4(OH)2·4H2O]. Mineralisation of CO2 in ab...

Electric arc furnace dust (EAFD) signifies a major source of recyclable zinc. Most of the zinc load in EAFD exists as zincite (ZnO) and franklinite (ZnFe2O4). The heterogenous mixture of EAFD renders it technologically challenging to extract the valuable zinc content in EAFD via commonly utilized hydrometallurgical and pyrometallurgical operations....

Brominated benzenes and phenols constitute direct precursors in the formation of bromine-bearing pollutants; most notably PBDD/Fs and other dioxin-type compounds. Elucidating accurate mechanisms and constructing robust kinetic models for the oxidative transformation of bromobenzenes and bromophenols into notorious Br-toxicants entail a comprehensiv...

The conventional process of lithium extraction from α-spodumene (LiAlSi 2 O 6) is energy-intensive and associated with high byproduct management cost. Here, we investigate an alternative process route that uses potassium sulfate (K 2 SO 4) to extract lithium while producing leucite (KAlSi 2 O 6), a slow release fertilizer. Presenting the first-ever...

This contribution combines the observations from fire experiments with modelling of ionisation of fluorosurfactants to explain the compatibility of AFFF with sea water. We report detailed chemical structures of fluorosurfactants introduced into the firefighting foam market since the development of the so-called light water by the US Naval Research...

Literature lacks data on the performance of waste plastics in controlling NOx emissions in practical combustors operating typically in the temperature window of 1000 - 1200 °C, under a range of fuel-oxygen equivalence ratios, preventing recycling of plastics in this application. In this contribution, we demonstrate that waste plastics, in particula...

This contribution combines results of experiments with kinetic modelling to probe the unusual behaviour of carbonyl sulfide (COS), a sulfur species that frequently arises in fuel systems. The experiments identified CO and SO 2 as the primary oxidation products, with no formation of CO 2. The low ignition temperature (<600 K) of COS observed in prio...

Singlet oxygen represents a form of reactive oxygen species (ROS), produced by electronic excitation of molecular triplet oxygen. In general, highly reactive oxygen‐bearing molecules remain the backbone of diverse ground‐breaking technologies, driving the waves of scientific development in environmental, biotechnology, materials, medical and defenc...

This study investigated the pressure leaching of lithium and other valuable metals from lepidolite using NaOH and Ca(OH)2. The findings showed that NaOH concentration, temperature, and stirring rate are the most significant process parameters. The addition of Ca(OH)2 facilitates the leaching of lithium and minimizes the concentration of silicate an...

We conducted molecular dynamics (MD) simulations to calculate the density and surface tension of concentrated ammonium nitrate (AN) solutions up to the solubility limit of ammonium nitrate in water, by combining the SPC/E, SPCE/F and TIP4P/2005 water models with OPLS model for ammonium and nitrate ions. This is the first time that the properties of...

This contribution reports experimental measurements of the oxidation of H2S and CH3SH, under atmospheric pressure in a jet-stirred reactor (JSR), in the temperature range of 600–1100 K and for stoichiometric and oxidizing conditions. We update a recent kinetic model, originally developed based on the measurements of oxidation of H2S and CH3SH in a...

Fuel reburning usually serves in mitigating NOx formation in stationary combustion sources. However, the use of biomass as reburning fuel could facilitate the production of relatively more nitrogen-containing aromatic products of incomplete combustion. This study investigates the heterogeneous reaction between biomass and mixtures of NO/O2 gases, e...

Brominated aromatic rings constitute main structural entities in virtually all commercially deployed brominated flame retardants (BFRs). Oxidative decomposition of BFRs liberates appreciable quantities of bromobenzenes (BBzs). This contribution reports experimental measurements for the generation of notorious polybrominated dibenzofurans (PBDFs) an...

Ammonium nitrate (AN, NH4NO3) remains classified as an oxidising agent for transport, storage and handling purposes. The safe use of ammonium nitrate requires strict safety procedures as AN is incompatible with many materials. This study investigates the thermal decomposition of AN on surfaces of rust, potentially present on steel in storage facili...

This contribution investigates the propensity of low-temperature ignition of sulfur, a hazardous substance because of its facile ignition. We applied the coupled thermogravimetric analyser and differential scanning calorimeter (TGA-DSC), in conjunction with a vertically-entrained reactor, to study the ignition behaviour of sulfur powder. The thermo...

Co-pyrolysis of brominated flame retardants (BFRs) with polymeric materials prevails in scenarios pertinent to thermal recycling of bromine-laden objects; most notably the non-metallic fraction in e-waste. Hydro-dehalogenation of aromatic compounds in a hydrogen-donating medium constitutes a key step in refining pyrolysis oil of BFRs. Chemical reac...

Ammonium nitrate (AN, NH4NO3) constitutes the key ingredient of monofuels and civilian-grade explosives , attracting scientific interests aimed at improving their operational and safety performance. This study investigates the combustion properties of redox crystals comprising ammonium nitrate and simple saccharides, with the infrared spectroscopy,...

Oxazole has critical roles not only in heterocycle (bio)chemistry research, but also as the backbone of many active natural and medicinal species. These diverse and specialised functions can be attributed to the unique physicochemical properties of oxazole. This contribution investigates the reaction of oxazole and its derivatives with singlet oxyg...

This study investigates the geometric and electronic properties of selected BFRs in their ground (S0) and first singlet excited (S1) states deploying methods of the density functional theory (DFT) and the time-dependent density functional theory (TDDFT). We estimate the effect of the S0→ S1 transition on the elongations of the C-Br bond, identify t...

Chemical phenomena dictating the spontaneous-ignition of coal remain highly speculative with some of the most intriguing questions appearing unaddressed. In this communication, we deploy a synergistic experimental-theoretical approach to elucidate the definite role of singlet-biradical PAHs in driving the low-temperature oxidation of coal. We estab...

Carbon disulphide (CS2) represents an important chemical commodity, unfortunately, found responsible for several factory, laboratory and transportation fires. This contribution examines the high flammability of CS2 by exploring the fire chemistry of the intersystem crossing (ISC) process that occurs within the two key elementary reactions. By expan...

The presence of sulphur in fossil fuels contributes uncertainty to predicting their combustion behaviour. Detailed understanding of the combustion chemistry of sulphur species, comprising precise kinetic models, will enable optimisation of important industrial operations, such as Claus process in desulphurisation of hydrocarbons. The present contri...

This contribution develops an analytical procedure for the proximate analysis of algal biomass, using Spirulina and Chlorella as a case study. The procedure consists of three steps. First, a TGA-based method designed from ASTM E870–82 was employed for the proximate analysis of the two algae, at 950°C in argon for the determination of volatile matte...

In this study, Cr−Mo−N thin films with different Mo contents were synthesised via closed field unbalanced magnetron sputtering ion plating. The effects of Mo content on the microstructure, chemical bonding state, and optical properties of the prepared films were investigated by X-ray diffraction spectroscopy (XRD), X-ray photoelectron spectroscopy...

Polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs) remain of particular concern owing to their extensive toxicity towards health and accumulation in the environment. Atmospheric oxidation (by ambient oxygen molecules) of this class of persistent environmental pollutants has little to no kinetic feasibility due to very sizable activ...

The interplay of phenolic molecules with 3d transition metals, such as Fe and Cu, and their oxide surfaces, provide important fingerprints for environmental burdens associated with thermal recycling of e-waste and subsequent generation of notorious dioxins compounds and phenoxy-type Environmental Persistent Free Radicals (EPFRs). DRIFTS and EPR mea...

Monoterpenes represent a class of hydrocarbons consisting of two isoprene units. Like many other terpenes, monoterpenes emerge mainly from vegetation, indicating their significance in both atmospheric chemistry and pharmaceutical and food industries. The atmospheric recycling of monoterpenes constitutes a major source of secondary organic aerosols....

This contribution provides a detailed in-situ account of transformation reactions during calcination of a typical high-grade α-spodumene (α-LiAlSi2O6) concentrate, a pre-treatment step required to refine spodumene into commercial lithium chemicals. We observe four reaction pathways during the transition of spodumene, employing in-situ high-temperat...

Thermal recycling is currently deployed as a main stream strategy in the safe disposal of materials laden with bromine, most notably the polymeric fraction in electronic and electrical waste (e-waste). Thus, it is essential to comprehend the combustion chemistry underpinning the reaction of brominated constituents with common polymeric entities. In...

The Mg-isotope systematics of peridotite weathering and low-temperature carbonation have not yet been thoroughly investigated, despite their potential to provide insights into reaction pathways and mechanisms of lithosphere-hydrosphere transfer of Mg and sequestration of CO2 in carbonate minerals. Here, we present new observations of the evolution...

Pyrrolic compounds assume an important role in the chemistry of living organisms, coal surrogates and novel drugs. However, literature reports a few studies on their reactivity towards prominent oxidising agents. This contribution presents a comprehensive mechanistic study of the oxidation of unsubstituted pyrrole with singlet oxygen (O2¹∆g) by dep...

This contribution investigates thermal decomposition of leucine, as a representative model compound for amino acids in algal biomass. We map out potential energy surface for a wide array of unimolecular and self‐condensation reactions operating in the decomposition of leucine. Decarboxylation and dehydration of leucine ensues by eliminating CO2 and...

ion of a hydrogen atom from the alkyl side chain, attached to a benzene ring, by the amidogen radical (NH2), plays a critical importance in thermal processes that involve the presence of alkylbenzene species and NH2-containing species, as in the pyrolysis of biomass. Yet, literature provides no thermo-kinetic account of this important category of r...

Photo-degradation of organic pollutants plays an important role in their removal from the environment. This study provides an experimental and theoretical account of the reaction of singlet oxygen O2(¹∆g) with the biodegradable-resistant species of phenol in an aqueous medium. The experiments combine customised LED-photoreactors, high-performance l...

The interplay of aromatic molecules with 3d transition metals, such as Fe and Cu, and their oxide surfaces provide important fingerprints for environmental burdens associated with thermal recycling of e-waste. Previous DRIFTS and EPR measurements established a strong interaction of the phenol molecule with the metal oxides via the formation of phen...

Brominated flame retardants (BFRs) are bromine-bearing hydrocarbons added or applied to materials to increase their fire resistance. As thermal treatment and recycling are common disposal methods for BFR-laden objects, it is essential to precisely describe their decomposition chemistry at elevated temperatures pertinent to their thermal recycling....

The interplay of halogenated compounds with metal surfaces has been the focus of many experimental and theoretical studies. These investigations have mainly aimed to illustrate the potential dual role of transition metals and their oxides in mediating formation of toxic halogenated aromatics as well as their catalytic-assisted decomposition over th...

Promoting the production of industrially important aromatic chloroamines over transition-metal nitrides catalysts has emerged as a prominent theme in catalysis. This contribution provides an insight into the reduction mechanism of p-chloronitrobenzene (p-CNB) to p-chloroaniline (p-CAN) over the γ-Mo2N(111) surface by means of density functional the...

Application of singlet oxygen in oxy-fuel systems reduces the activation energy of the initiation reactions, accelerating the chain-branching mechanism and decreasing the overall ignition temperature. However, the underlining reaction mechanism of the surface-generated singlet oxygen O2 1Δg that reacts with fuel surrogates (i.e. toluene) in the gas...

Catalytic removal of the S-content from thiophene is a central step in efforts aiming to reduce the environmental burdens of transportation fuels. In this contribution, we investigate the hydrodesulfurization (HDS) mechanisms of thiophene (C4H4S) over γ-Mo2N catalyst by means of density functional theory (DFT) calculations. The thiophene molecule p...

This contribution explores the effect of nanoparticles of iron (III) oxide (Fe2O3) on the combustion of coal surrogate, i.e., anisole, identifying the changes in ignition features as well as the occurrence of persistent organic pollutants in the initiation channels. The method applies packed-bed reactor coupled with Fourier transform infrared (FTIR...

Triple-layered RF magnetron sputtered HAp/Al2O3/TiO2 coatings synthesized onto Ti-6Al-4V alloys were studied to improve the surface biocompatibility and corrosion resistance features. It was seen that the HAp layers played asubstantial rolein thebiocompatibility, whilethe intermediate Al2O3/TiO2 layers wereused to enhance the corrosion behavior of...

Sulfur-containing species persist as important impurities in fossil fuels, affecting the combustion process of constituent hydrocarbons. This contribution reports the promotion effects of carbon disulfide (CS2) on oxidation of methane (CH4), with experiments conducted in a jet-stirred reactor (JSR), and explains the experimental findings from compr...

Due to the wide and the ever-increasing strategic applications of quantum chemistry in chemical industries, it is important to introduce chemical engineering students to illustrative case studies that deploy molecular modeling in the design of reactors and derivation of thermochemical functions. Herein, we demonstrate how quantum chemical calculati...

This contribution reports a comprehensive investigation into the structural, electronic and thermal properties of bulk and surface terbium dioxide (TbO2); a material that enjoys wide spectra of catalytic and optical applications. Our calculated lattice dimension of 5.36 Å agrees well with the corresponding experimental value at 5.22 Å. Density of s...

This paper describes an alternative process for chloroform decomposition via non-thermal plasma polymerisation at atmospheric pressure and investigates the effect of methane and hydrogen addition on the process. The effect of both additives was assessed separately, where experiments were conducted in a double dielectric barrier discharge reactor un...

The influence of the reaction gas composition during the DC magnetron sputtering process on the structural, chemical and optical properties of Ce-oxide thin films was investigated. X-ray diffraction (XRD) studies confirmed that all thin films exhibited a polycrystalline character with cubic fluorite structure for cerium dioxide. X-ray photoelectron...

Probable reaction intermediates and mechanistic steps involved for the selective oxidation of methane (CH4) with nitrous oxide (N2O) forming synthesis gas (CO + H2) over Co-ZSM-5 was examined. To assess the reaction kinetics reactions were conducted within a temperature range of 300 °C–550 °C and at atmospheric pressure, and the composition of reac...

This study investigates the formation of polychlorinated dibenzo- p -dioxins and polychlorinated dibenzofurans (PCDD/F) in oxidation of 4,4' -dichlorobiphenyl (4,4' -DCB) under gas phase conditions over a temperature range of 400-800 °C. The experiments involved an isothermal flow reactor equipped with a sample collection system to adsorb PCDD/F. W...

Catalysts of iron oxide on γ-alumina and silica which were prepared by an incipient wetness impregnation technique have been investigated in an effort to understand how the surface chemical properties are influenced by the nature of the supports. Surprisingly, this is the first study to compare in depth the influence of the supports on physicochemi...

Pressure Leaching of Spodumene: Should We Take a Second Look?

Utilisation of biomass in combustion technologies alleviates several pollution-related environmental impacts. This process often occurs in thermally reactive conditions. The present study highlights the cogent influence of nitrogen oxides (NOx) in combustion of biomass (surrogate) fuel. At practical industrial fuel-rich condition, we investigated t...

Hydrogen halides (HCl/HBr) represent the major halogen fragments from thermal decomposition of halogen laden materials; most notably PVC and brominated flame retardants (BFRs). Co-pyrolysis of halogen-containing solid wastes with metal oxides is currently deployed as a main stream strategy to treat the halogen content as well as to recycle the valu...

Alumina oxides assume prominent catalytic applications in a wide range of industrial processes. However, alumina surfaces also serve as potent promoters in the heterogeneous formation of the notorious environmentally-persistent free radicals (EPFR). Herein, we theoretically examine dissociative adsorption mechanisms of phenol molecules over Al2O3 a...

The equilibrium structure, elastic constants Cij and thermodynamic functions of cubic titanium nitride (TiN) were calculated within the temperature range of 0–3100 K and under a pressure range 0–60 GPa. Properties were computed using the generalised gradient approximations (GGA) exchange-correlation functional. Calculated mechanical properties (Ela...

Chlorinated volatile organic compounds (CVOCs) are toxic chemical entities emitted invariably from stationary thermal operations when a trace of chlorine content is present. Replacing the high-temperature destruction operations of these...

High-energy materials such as emulsions, slurries and ammonium-nitrate fuel-oil (ANFO) explosives play crucial roles in mining, quarrying, tunnelling and many other infrastructure activities, because of their excellent transport and blasting properties. These explosives engender environmental concerns, due to atmospheric pollution caused by emissio...

This study develops a systematic density functional theory alongside on-site Coulomb interaction correction (DFT + U) and ab initio atomistic thermodynamics approachs for ternary (or mixed transitional metal oxides), expressed in three reservoirs. As a case study, among notable multiple metal oxides, synthesized CoCu2O3 exhibits favourable properti...

This study develops technology for mitigation of NOx formed in thermal processes using recycled plastics such as polyethylene (PE). Experiments involve sample characterisation, and thermogravimetric decomposition of PE under controlled atmospheres, with NOx concentration relevant to industrial applications. TGA–Fourier transform infrared (FTIR) spe...

The prevalence of global arsenic groundwater contamination has driven widespread research on developing effective treatment systems including adsorption using various sorbents. The uptake of arsenic-based contaminants onto established sorbents such as activated carbon (AC) can be effectively enhanced via immobilization/impregnation of iron-based el...

This contribution investigates the low ignition temperature of carbon disulfide (CS2) with tubular flow reactor experiments. It explains the extreme flammability of CS2 with kinetic modelling entailing elementary reactions. The experiments are performed under dry conditions for an oxygen-fuel equivalence ratio of 0.7, 1.0 and 1.2 and for a temperat...

Diboron trioxide (B2O3) assumes critical importance as an effective oxidation inhibitor in prominent chemical applications. For instance, it has been extensively used in electrolysis and ceramic/glass technology. Results are presented of accurate quantum mechanical calculations using the PW1PW hybrid HF/DFT functional of four low-index surfaces of...

Cr1−xAlxN coatings, synthesised by an unbalanced magnetic sputtering system, showed improved microstructure and mechanical properties for ∼14–21% Al content. In situ SR-XRD analysis indicated various crystalline phases in the coatings that included: CrN, AlN, α-Cr with small amounts of AlO2 and Al2O3 over the 25–700 °C range. Al doping improves res...