ORCID Profile
0000-0002-4606-0741
Current Organisation
Murdoch University
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Publisher: American Chemical Society (ACS)
Date: 31-10-2009
DOI: 10.1021/JE800484M
Publisher: Elsevier BV
Date: 12-1996
Publisher: American Chemical Society (ACS)
Date: 06-2005
DOI: 10.1021/IE050024K
Publisher: Elsevier BV
Date: 04-2010
Publisher: American Chemical Society (ACS)
Date: 08-02-2018
Publisher: Walter de Gruyter GmbH
Date: 1995
Abstract: The aqueous solubilities of La(OH) 0.8 (CO 3 ) 1.1 .0.1 H 2 O, basic lanthanum carbonate of ancylite type, have been investigated as a function of ionic strength at 25.0 °C. The stoichiometric solubility constants defined by log* K I ps0 = log [La 3 + ] + 1.1 log p CO2 - 3 log [H + ] have the values 11.10, 11.32, 11.42, 11.63, and 11.70 for I = 0.1, 0.25, 1.0, 2.0, and 4.0 mol kg -1 (Na)ClO 4 respectively. The extrapolation to infinite dilution using the Pitzer equations resulted in a "thermodynamic" solubility constant, log* K° pz0 = 10.48 ± 0.08. This in turn led to the Gibbs energy of ancylite formation: Δ f G ⊖ 298 {La(OH) 0.8 (CO 3 ) 1.1 · 0.1 H 2 O} = - 1.531.5 kJ mol -1 .
Publisher: Walter de Gruyter GmbH
Date: 02-2008
DOI: 10.3139/146.101624
Abstract: The Gibbs energy minimiser incorporated in the thermodynamic subroutine library ChemApp and a thermodynamically consistent, ten-component Bayer liquor model were applied to a simulation of the Bayer process employed worldwide for the refining of alumina from bauxite ores. As well as the liquor cycle from digestion, clarification, precipitation, evaporation and back to digestion (including flash cooling and heating steps), calcination to alumina in a circulating fluid bed furnace was simulated. The present study not only covers temperature and concentration ranges from boehmite digestion to gibbsite precipitation, it also permits exploration of boehmite precipitation as a potential energy saving modification of the process. Furthermore, the simulation is able to predict the accumulation and precipitation of undesirable impurities in various stages of the liquor circuit. It also identifies possible reductions in the overall energy consumption of the Bayer process.
Publisher: AIP Publishing
Date: 12-2011
DOI: 10.1063/1.3645087
Abstract: This paper, devoted to cadmium(II) carbonate, is the first in a series dedicated to the solubility of compounds relevant to mobility of metals in the environment. Here, we present compilations and critical evaluation of the experimental solubility data for cadmium(II) carbonate, otavite, in aqueous ternary and higher-order systems. The solubility of cadmium(II) carbonate depends on temperature, carbon dioxide partial pressure, pH, the presence of complexing ions, and ionic strength of the solution. Papers referring to solubility of cadmium(II) carbonate have been published since 1901 the thorough search of the literature in this field covered the period from 1901 through 2009. The compilation of the available experimental data is introduced with a critical evaluation. The evaluation of the experimental data considers the possible correlation between the data obtained under similar experimental conditions of temperature, carbon dioxide partial pressure, electrolyte, and ionic strength. Those experiments where the solid phase was well identified and the interactions between the electrolyte and the dissolved cadmium(II) ion were considered practically negligible were used to determine the thermodynamic properties of the solid cadmium(II) carbonate. Recommended values for the thermodynamic quantities are lg*Kps0∘ = 6.11 ± 0.10, ΔfG°(CdCO3, cr, 298.15 K) = −(674.3 ± 0.6) kJ mol−1, ΔfH°(CdCO3, cr, 298.15 K) = −(752.2 ± 0.8) kJ mol−1, S°(CdCO3, cr, 298.15 K) = (103.9 ± 0.2) J K−1 mol−1.
Publisher: Elsevier BV
Date: 08-2014
Publisher: Elsevier BV
Date: 07-2000
Publisher: AIP Publishing
Date: 18-05-2011
DOI: 10.1063/1.3569816
Abstract: The solid-liquid solubility data for well defined nonaqueous binary and ternary systems are reviewed. One component includes hydroxybenzoic acid, hydroxybenzoate, and hydroxybenzoic acid salt, and another component includes a variety of organic compounds (hydrocarbons, alcohols, halogenated hydrocarbons, carboxylic acids, esters, et al.) and carbon dioxide. The ternary systems include mixtures of organic substances of various classes and carbon dioxide. The total number of compilation sheets is 270 for six types of system. Almost all data are expressed as mass percent and mole fraction as well as the originally reported units, while some data are expressed as molar concentration. Critical evaluation was carried out for the binary nonaqueous systems of 2-, 3-, and 4-hydroxybenzoic acids and hydroxybenzoates (methylparaben, ethylparaben, propylparaben, and butylparaben) in alcohols, 1-heptane, and benzene.
Publisher: Walter de Gruyter GmbH
Date: 2008
Abstract: The integrated thermochemical databank system FactSage enables the user to calculate equilibria and thermodynamic properties for a wide variety of multicomponent, multiphase systems and reactions. The Gibbs energy models and databases for condensed, gaseous, and aqueous solutions presently implemented in FactSage are of interest to chemical and physical metallurgy, chemical and corrosion engineering, inorganic and solution chemistry, geochemistry, environmental science, etc. Models for the aqueous phase include the Pitzer and Helgeson formalisms, but data and subroutines for concentrated aqueous solutions have also been provided by OLI Systems. ChemApp is a programmer's library for thermochemistry that also incorporates the Gibbs energy minimizer of FactSage. Applications of ChemApp include, for ex le, the handling of repetitive complex equilibrium calculations in application-specific programs and its linking to third-party process simulation packages. In this work, user-defined aqueous solution models in FactSage and ChemApp have been applied to the hydrometallurgical processing of aluminum ores in both caustic and acidic leach solutions.
Publisher: Springer Science and Business Media LLC
Date: 12-03-2021
Publisher: American Chemical Society (ACS)
Date: 29-09-2007
DOI: 10.1021/JE700265D
Publisher: Wiley
Date: 14-03-2003
Publisher: AIP Publishing
Date: 22-02-2011
DOI: 10.1063/1.3525876
Abstract: The solubility data for well-defined binary, ternary, and multicomponent systems of solid-liquid type are reviewed. One component, which is 2-, 3-, and 4-hydroxybenzoic acids, 4-hydroxybenzoate alkyl esters (parabens), or hydroxybenzoic acid salts, is in the solid state at room temperature and another component is liquid water, meaning that all of the systems are aqueous solutions. The ternary or multicomponent systems include organic substances of various classes (hydrocarbons of several structural types, halogenated hydrocarbons, alcohols, acids, ethers, esters, amides, and surfactants) or inorganic substances. Systems reported in the primary literature from 1898 through 2000 are compiled. For seven systems, sufficient binary data for hydroxybenzoic acids or parabens in water are available to allow critical evaluation. Almost all data are expressed as mass and mole fractions as well as the originally reported units, while some data are expressed as molar concentration.
Publisher: Elsevier BV
Date: 1990
Publisher: Springer Science and Business Media LLC
Date: 08-02-2021
Publisher: Royal Society of Chemistry (RSC)
Date: 2015
DOI: 10.1039/C5DT02129D
Abstract: Speciation modelling incorporating redox equilibria provides a plausible explanation for copper deposition in the human eye associated with Wilson's disease.
Publisher: American Association for the Advancement of Science (AAAS)
Date: 15-12-2006
Abstract: The Stardust spacecraft collected thousands of particles from comet 81P/Wild 2 and returned them to Earth for laboratory study. The preliminary examination of these s les shows that the nonvolatile portion of the comet is an unequilibrated assortment of materials that have both presolar and solar system origin. The comet contains an abundance of silicate grains that are much larger than predictions of interstellar grain models, and many of these are high-temperature minerals that appear to have formed in the inner regions of the solar nebula. Their presence in a comet proves that the formation of the solar system included mixing on the grandest scales.
Publisher: American Chemical Society (ACS)
Date: 02-03-2009
DOI: 10.1021/IC801722R
Abstract: Ion association in concentrated aqueous solutions of titanyl sulfate in sulfuric acid has been investigated at 25 degrees C by Raman spectroscopy under conditions like those used in the preparation of titania nanoparticles. Systematic variation of titanyl (M), sulfate (L), and hydrogen ion concentrations and a detailed quantitative analysis of the spectra reveal that two weak titanyl sulfato complexes (ML and ML(2)) are formed, with ML predominating. This assignment conflicts with the recent results of Baillon et al. (J. Mol. Liq. 2008, 143, 8-12).
Publisher: American Chemical Society (ACS)
Date: 05-05-2005
DOI: 10.1021/JE0500126
Publisher: Elsevier BV
Date: 02-2008
Publisher: Springer Science and Business Media LLC
Date: 02-2018
Publisher: American Chemical Society (ACS)
Date: 14-02-2019
Publisher: Springer Science and Business Media LLC
Date: 2000
Abstract: Calcium renal lithiasis formation depends on the balance between thermodynamic (supersaturation) and kinetic (inhibitors, nucleants) factors. In this paper, the importance of both groups was evaluated using (a) the complete urine analysis data obtained from 32 healthy volunteers and 141 active stone-formers, and (b) a comprehensive computer model to calculate the supersaturation values of calcium oxalate monohydrate, hydroxyapatite and brushite in each urine s le. The results of this evaluation were used to assess the possible effectiveness of a given pharmacological treatment.
Publisher: Wiley
Date: 14-07-2006
DOI: 10.1002/0470092122
Publisher: Elsevier BV
Date: 03-2000
Publisher: Springer International Publishing
Date: 13-10-2017
Publisher: American Chemical Society (ACS)
Date: 09-11-2011
DOI: 10.1021/JE2009329
Publisher: Elsevier
Date: 2007
Publisher: Elsevier BV
Date: 15-04-2010
DOI: 10.1016/J.TALANTA.2009.11.049
Abstract: The JESS software package, which is a widely-used tool for modelling chemical speciation in complex aqueous environments, has been extended to allow comprehensive predictions of physicochemical properties for strong electrolytes in aqueous solution. Another large database, this time of physicochemical property data, has been added to the JESS suite, along with the computational methods which automatically turn these erse literature data into a thermodynamically-consistent calculation for water activities, densities, heat capacities, etc. Given the recent emphasis on the role of water activity in predicting electrolyte mixing behaviour, we expect that this capability will lead to major changes in the way aquatic chemistry is modelled in future.
Publisher: Elsevier BV
Date: 11-2016
Publisher: Springer Science and Business Media LLC
Date: 2000
Publisher: Springer Science and Business Media LLC
Date: 1995
DOI: 10.1007/BF00811002
Publisher: Springer Science and Business Media LLC
Date: 09-2006
Publisher: Springer Science and Business Media LLC
Date: 12-1990
DOI: 10.1007/BF00809249
Publisher: Springer Science and Business Media LLC
Date: 12-1992
DOI: 10.1007/BF00667217
Publisher: Springer Science and Business Media LLC
Date: 1990
DOI: 10.1007/BF00809524
Publisher: Elsevier BV
Date: 2001
Publisher: AIP Publishing
Date: 03-2012
DOI: 10.1063/1.3675992
Abstract: The alkaline earth carbonates are an important class of minerals. This volume compiles and critically evaluates solubility data of the alkaline earth carbonates in water and in simple aqueous electrolyte solutions. Part 1, the present paper, outlines the procedure adopted in this volume in detail, and presents the beryllium and magnesium carbonates. For the minerals magnesite (MgCO3), nesquehonite (MgCO3·3H2O), and lansfordite (MgCO3·5H2O), a critical evaluation is presented based on curve fits to empirical and/or thermodynamic models. Useful side products of the compilation and evaluation of the data outlined in the introduction are new relationships for the Henry constant of CO2 with Sechenov parameters, and for various equilibria in the aqueous phase including the dissociation constants of CO2(aq) and the stability constant of the ion pair MCO30(aq) (M = alkaline earth metal). Thermodynamic data of the alkaline earth carbonates consistent with two thermodynamic model variants are proposed. The model variant that describes the Mg2+-HCO3- ion interaction with Pitzer parameters was more consistent with the solubility data and with other thermodynamic data than the model variant that described the interaction with a stability constant.
Publisher: American Chemical Society (ACS)
Date: 30-12-2021
Publisher: American Chemical Society (ACS)
Date: 05-2002
DOI: 10.1021/JE020003M
Publisher: Mineralogical Society of America
Date: 04-2017
DOI: 10.2138/AM-2017-5778
Publisher: Elsevier BV
Date: 04-1995
Publisher: Walter de Gruyter GmbH
Date: 2006
Abstract: ThermoML is an Extensible Markup Language (XML)-based new IUPAC standard for storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data. The basic principles, scope, and description of all structural elements of ThermoML are discussed. ThermoML covers essentially all thermodynamic and transport property data (more than 120 properties) for pure compounds, multicomponent mixtures, and chemical reactions (including change-of-state and equilibrium reactions). Representations of all quantities related to the expression of uncertainty in ThermoML conform to the Guide to the Expression of Uncertainty in Measurement (GUM). The ThermoMLEquation schema for representation of fitted equations with ThermoML is also described and provided as supporting information together with specific formulations for several equations commonly used in the representation of thermodynamic and thermophysical properties. The role of ThermoML in global data communication processes is discussed. The text of a variety of data files (use cases) illustrating the ThermoML format for pure compounds, mixtures, and chemical reactions, as well as the complete ThermoML schema text, are provided as supporting information.
Publisher: Wiley
Date: 1989
Publisher: Elsevier BV
Date: 12-2011
Publisher: American Chemical Society (ACS)
Date: 27-03-2019
Abstract: The composition and structures of the two protonated species formed from uncharged molybdic acid, MoO
Publisher: American Chemical Society (ACS)
Date: 24-12-2013
DOI: 10.1021/IE402335X
Publisher: Mineralogical Society of America
Date: 2014
Publisher: Elsevier BV
Date: 02-2008
Publisher: Springer Science and Business Media LLC
Date: 23-10-2007
Publisher: American Chemical Society (ACS)
Date: 05-08-2020
Publisher: Springer Science and Business Media LLC
Date: 26-11-2019
DOI: 10.1007/S00240-019-01172-8
Abstract: Although most kidney stones are found in the calyx, they are usually initiated upstream in the nephron by precipitation there of certain incipient mineral phases. The risk of kidney stone formation can thus be indicated by changes in the degree of saturation of these minerals in the nephron fluid. To this end, relevant concentration profiles in the fluid along the nephron have been calculated by starting with specified urine compositions and imposing constraints from the corresponding, much less variable, blood compositions. A model for supersaturation within ten sections of both long and short nephrons has accordingly been developed based on this 'reverse engineering' of the necessary substance concentrations coupled with chemical speciation distributions calculated by our Joint Expert Speciation System (JESS). This allows the likelihood of precipitation to be assessed based on Ostwald's 'Rule of Stages'. Differences between normal and stone-former profiles have been used to identify sections in the nephron where conditions seem most likely to induce heterogeneous nucleation.
Publisher: Royal Society of Chemistry (RSC)
Date: 2009
DOI: 10.1039/B906803A
Abstract: The titanyl equilibria in strongly acidic solutions related to the hydrometallurgical production of titania have been investigated in the presence of inorganic ions (ClO(4)(-), NO(3)(-), Cl(-), SO(4)(2-), Fe(2+) and Fe(3+)) using spectroscopic (UV-Vis and EPR) methods. UV-Vis experiments showed no interaction or ion pairing effect in the acidic titanyl nitrate and titanyl perchlorate s les indicating that they would be suitable background electrolytes for further thermodynamic measurements. The stoichiometry of the titanyl chloride complex was determined as TiOCl(2)(0) and its stability constant was calculated (log beta(2) = 1.12 +/- 0.03). The interaction between titanyl and sulfate ions was quantified by determining the stoichiometry (1:1) and stability (log beta(1) = 1.64 +/- 0.06) of the titanyl sulfate species. Weak sulfate complexes were also detected with the ferric (log beta(1) = 2.00 +/- 0.10 log beta(2) = 2.49 +/- 0.08) and ferrous (log beta(1) = 1.52 +/- 0.06) ions under strongly acidic conditions. A double sulfato complex FeTiO(SO(4))(3)(2-) with relatively high stability (log beta = 7.13 +/- 0.07) was found in solutions containing titanyl, ferrous and sulfate ions in sulfuric acid medium. In addition, an EPR signal was assigned to the FeTiO(SO(4))(3)(2-) species. This double sulfato complex was found to be the major metal-containing species in the system similar to that used in the leaching process of ilmenite during the industrial production of titania.
Publisher: American Chemical Society (ACS)
Date: 07-01-2011
DOI: 10.1021/JE100999J
Publisher: Springer Science and Business Media LLC
Date: 02-12-2017
Publisher: Walter de Gruyter GmbH
Date: 07-09-2011
Abstract: ThermoML is an XML-based approach for storage and exchange of experimental, predicted, and critically evaluated thermophysical and thermochemical property data. Extensions to the ThermoML schema for the representation of speciation, complex equilibria, and properties of biomaterials are described. The texts of 14 data files illustrating the new extensions are provided as Supplementary Information together with the complete text of the updated ThermoML schema.
Publisher: Walter de Gruyter GmbH
Date: 10-08-2009
Abstract: Thermodynamically consistent models based on accurately measured data are required for reliable predictions of equilibria and thermodynamic properties for a wide variety of multicomponent, multiphase systems and reactions relevant to hydrometallurgy. Recent developments in our laboratory concerning the measurement and modeling of physicochemical properties of electrolyte solutions over wide ranges of conditions are reviewed. Particular emphasis is on applications to the refining of alumina via the Bayer process, in which various solubility phenomena involving solid, aqueous, and gaseous phases are of critical importance to product yield and purity as well as to economical and environmental sustainability. Appropriately designed models and software allow these aspects to be tackled by thermodynamic process simulations of alumina refinery circuits.
Publisher: Elsevier BV
Date: 02-2008
Publisher: Springer Science and Business Media LLC
Date: 10-1993
DOI: 10.1007/BF00814147
Publisher: Elsevier BV
Date: 1991
Publisher: Elsevier BV
Date: 07-2008
Publisher: Elsevier BV
Date: 09-2002
Publisher: Elsevier BV
Date: 11-1989
Publisher: Elsevier BV
Date: 04-2015
Publisher: American Chemical Society (ACS)
Date: 04-10-2005
DOI: 10.1021/JE0502400
Publisher: Wiley
Date: 14-07-2006
Publisher: American Chemical Society (ACS)
Date: 19-04-2002
DOI: 10.1021/JE010314H
Publisher: Springer Science and Business Media LLC
Date: 04-2003
Publisher: Elsevier BV
Date: 12-1991
Publisher: Springer Science and Business Media LLC
Date: 04-2003
Publisher: Wiley
Date: 1990
Publisher: Elsevier BV
Date: 11-1992
Publisher: Royal Society of Chemistry (RSC)
Date: 2008
DOI: 10.1039/B713254A
Abstract: Raman (and a few additional FT-IR) spectroscopic measurements of sodium and potassium carbonate and hydrogencarbonate in aqueous solution have been carried out over wide concentration ranges at room temperature and at elevated temperatures. The bands of the CO3(2-)(aq) and HCO3(-)(aq) species, which possess pseudo D3h and C1 symmetry respectively, have been assigned and discussed. Quantitative Raman measurements and thermodynamic calculations on KHCO3 solutions show that the salt does not dissolve congruently in aqueous solutions but forms small amounts of CO3(2-). Quantitative Raman spectroscopic measurements have also been carried out on K2CO3 solutions and the hydrolysis of the carbonate ion has been determined as a function of concentration at room temperature and as a function of temperature up to 219 degrees C. The pK2 value of carbonic acid at 23 degrees C has been established as 10.35 by Raman spectroscopy, a value that compares favourably with published thermodynamic values.
Publisher: Elsevier BV
Date: 10-1999
Publisher: Walter de Gruyter GmbH
Date: 05-10-2013
Abstract: The importance of solid-solution& ndash aqueous-solution (SSAS) equilibria requires the incorporation of solid solutions into thermodynamic models for industrially and environmentally relevant applications. Insights from appropriate measurements and recent database developments have made such extensions feasible. Ex les illustrating various types of stable and metastable equilibria involving solid solutions will be given.
Publisher: American Chemical Society (ACS)
Date: 12-11-2009
DOI: 10.1021/JE900584K
Publisher: Springer Science and Business Media LLC
Date: 2000
Publisher: Springer Science and Business Media LLC
Date: 11-2001
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C8CC00187A
Abstract: S 2− (aq) is a widespread but deleterious artefact which needs to be eliminated by the chemical community.
Publisher: Elsevier BV
Date: 06-1995
Publisher: Walter de Gruyter GmbH
Date: 07-04-2011
Abstract: Impurities in hydrometallurgical process liquors frequently impact on product quality and yield, change physicochemical properties of the liquor, and form hard scale on heat exchangers and condensers. Organic compounds are of particular concern especially in the Bayer process, where impurities build up in the recycled liquor if not controlled. Depending on the redox state of the liquor, such compounds can undergo a variety of complex chemical reactions, including the formation of volatiles that can potentially cause environmental, health, and safety concerns. To aid in the development of appropriate control strategies, robust thermodynamic models for multicomponent aqueous systems containing large numbers of electrolytes and nonelectrolytes are required. Applications of thermodynamic models are discussed that range from the partitioning of volatile compounds in flash trains to the prediction of mixing properties of organic impurities with major Bayer liquor components.
No related grants have been discovered for Erich Königsberger.