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  • 1.
    Ahuja, Dipali
    et al.
    Univ Limerick, Synth & Solid State Pharmaceut Ctr, Bernal Inst, Dept Chem Sci, Castletroy, Co Limerick, Ireland..
    Svärd, Michael
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Transport Phenomena. Univ Limerick, Synth & Solid State Pharmaceut Ctr, Bernal Inst, Dept Chem Sci, Castletroy, Co Limerick, Ireland..
    Rasmuson, Åke C.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Transport Phenomena. Univ Limerick, Synth & Solid State Pharmaceut Ctr, Bernal Inst, Dept Chem Sci, Castletroy, Co Limerick, Ireland..
    Investigation of solid-liquid phase diagrams of the sulfamethazine-salicylic acid co-crystal2019In: CrystEngComm, ISSN 1466-8033, E-ISSN 1466-8033, Vol. 21, no 18, p. 2863-2874Article in journal (Refereed)
    Abstract [en]

    The influence of temperature and solvent on the solid-liquid phase diagram of the 1 : 1 sulfamethazinesalicylic acid co-crystal has been investigated. Ternary phase diagrams of this co-crystal system have been constructed in three solvents: methanol, acetonitrile and a 7 : 3 (v/v) dimethylsulfoxide-methanol mixture, at three temperatures. The system exhibits congruent dissolution in acetonitrile and the co-crystal solubility has been determined by a gravimetric technique. The Gibbs energy of co-crystal formation from the respective solid components has been estimated from solubility data, together with the corresponding enthalpic and entropic component terms. The Gibbs energy of formation ranges from -5.7 to -7.7 kJ mol -1, with the stability increasing with temperature. In methanol and the DMSO-methanol mixture, the co-crystal dissolves incongruently. It is shown that the solubility ratio of the pure components cannot be used to predict with confidence whether the co-crystal will dissolve congruently or incongruently. The size of the region where the co-crystal is the only stable solid phase is inversely related to the pure component solubility ratio of salicylic acid and sulfamethazine.

  • 2.
    Alemrajabi, Mahmood
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Transport Phenomena.
    Recovery of Rare Earth Elements from an Apatite Concentrate2018Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Rare earth elements (REE) are a group of 17 elements including lanthanides, yttrium and scandium; which are found in a variety of classes of minerals worldwide. The criticality of the application, lack of high grade and economically feasible REE resources and a monopolistic supply situation has raised significant attention in recovery of these metals from low grade ores and waste materials. In this thesis, the recovery of REE from an apatite concentrate, containing 0.5 mass% of REE, within the nitrophosphate route of fertilizer production has been investigated. Most of the REE (≥ 95%) content can be recovered into a phosphate precipitate with almost 30 mass% REE. Different processes have been developed to convert the REE phosphate precipitate into a more soluble form to obtain a solution suitable for further REE purification and individual separation. It has been shown that after reprecipitation of the REE phosphate concentrate as REE sodium double sulphate and then transformation into a REE hydroxide concentrate, a solution containing 45g/L REE free of Ca, Fe and P can be obtained. The results suggest that the apatite waste after processing of iron ore have the potential to be a very important source for REE in Europe and that the economy is strongly supported by the simultaneous extraction of phosphorous.

    The potential of using hollow fiber supported liquid membrane (HFSLM) extraction in individual and group separation of REE has been investigated. A hollow fiber supported liquid membrane plant in pilot scale has been operated according to the three main configurations: standard hollow fiber supported liquid membrane technology (HFSLM); hollow fiber renewal liquid membrane technology (HFRSLM) and emulsion pertraction technology (EPT). The standard HFSLM operation is more selective than HFRSLM and EPT, while higher metal transport rate is observed in EPT followed by HFRSLM and HFSLM. The HFRLM configuration helps to maintain the performance of the liquid membrane.

  • 3.
    Ashour, Radwa
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering. Nuclear Materials Authority, P.O. Box 530, 11381 El Maadi, Cairo, Egypt.
    Samouhos, Michail
    Swedish University of Agricultural Sciences, Department of Molecular Sciences, Uppsala BioCentre.
    Polido Legaria, Elizabeth
    Swedish University of Agricultural Sciences, Department of Molecular Sciences, Uppsala BioCentre.
    Svärd, Michael
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Transport Phenomena.
    Högblom, Joakim
    AkzoNobel, Pulp and Performance Chemicals AB.
    Forsberg, Kerstin
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering.
    Palmlöf, Magnus
    Kessler, Vadim G.
    Swedish University of Agricultural Sciences, Department of Molecular Sciences, Uppsala BioCentre.
    Seisenbaeva, Gulaim A.
    Swedish University of Agricultural Sciences, Department of Molecular Sciences, Uppsala BioCentre.
    Rasmuson, Åke C.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering.
    DTPA-Functionalized Silica Nano- and Microparticles for Adsorption and Chromatographic Separation of Rare Earth Elements2018In: ACS Sustainable Chemistry & Engineering, ISSN 2168-0485, Vol. 6, no 5, p. 6889-6900Article in journal (Refereed)
    Abstract [en]

    Silica nanoparticles and porous microparticles have been successfully functionalized with a monolayer of DTPA-derived ligands. The ligand grafting is chemically robust and does not appreciably influence the morphology or the structure of the material. The produced particles exhibit quick kinetics and high capacity for REE adsorption. The feasibility of using the DTPA-functionalized microparticles for chromatographic separation of rare earth elements has been investigated for different sample concentrations, elution modes, eluent concentrations, eluent flow rates, and column temperatures. Good separation of the La(III), Ce(III), Pr(III), Nd(III), and Dy(III) ions was achieved using HNO3 as eluent using a linear concentration gradient from 0 to 0.15 M over 55 min. The long-term performance of the functionalized column has been verified, with very little deterioration recorded over more than 50 experiments. The results of this study demonstrate the potential for using DTPA-functionalized silica particles in a chromatographic process for separating these valuable elements from waste sources, as an environmentally preferable alternative to standard solvent-intensive processes.

  • 4.
    Svärd, Michael
    et al.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Transport Phenomena.
    Krishna, Gamidi Rama
    Rasmuson, Åke C.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Transport Phenomena.
    Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol2018In: CrystEngComm, ISSN 1466-8033, E-ISSN 1466-8033, Vol. 20, no 1, p. 88-95Article in journal (Refereed)
    Abstract [en]

    A new compound, 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol, has been discovered, described, and its crystal polymorphism investigated. The crystal structures of two polymorphs have been solved with single-crystal X-ray diffraction. The molecule is chiral with four stereo centers, and both polymorphs crystallise in the non-centrosymmetric orthorhombic, chiral P2(1)2(1)2(1) space group, with one molecule in the asymmetric unit. In both structures the molecules are arranged three dimensionally in an interlocked manner, stabilized by strong O-H center dot center dot center dot O and weaker C-H center dot center dot center dot O and pi center dot center dot center dot pi interactions. The polymorphs have been characterized by X-ray powder diffraction (XRPD) and infrared spectroscopy (IR). The thermodynamic stability relationship between the polymorphs from 280 K up to the melting points has been quantitatively determined by differential scanning calorimetry (DSC), through measurement of melting points, heats of fusion, and heat capacities of the solid phases and the supercooled melt. It is established that the relationship is most likely monotropic, with one polymorph (FI) stable throughout the entire evaluated temperature range. The stability relationship at room temperature has been confirmed by a slurry conversion experiment.

  • 5.
    Zeglinski, Jacek
    et al.
    Univ Limerick, Synth & Solid State Pharmaceut Ctr, Bernal Inst, Dept Chem Sci, Limerick V94 T9PX, Ireland..
    Kuhs, Manuel
    Univ Limerick, Synth & Solid State Pharmaceut Ctr, Bernal Inst, Dept Chem Sci, Limerick V94 T9PX, Ireland..
    Devi, K. Renuka
    Univ Limerick, Synth & Solid State Pharmaceut Ctr, Bernal Inst, Dept Chem Sci, Limerick V94 T9PX, Ireland..
    Khamar, Dikshitkumar
    Univ Limerick, Synth & Solid State Pharmaceut Ctr, Bernal Inst, Dept Chem Sci, Limerick V94 T9PX, Ireland..
    Hegarty, Avril C.
    Univ Limerick, Dept Math & Stat, MACSI, Limerick, Ireland..
    Thompson, Damien
    Univ Limerick, Synth & Solid State Pharmaceut Ctr, Bernal Inst, Dept Chem Sci, Limerick V94 T9PX, Ireland.;Univ Limerick, Dept Phys & Energy, Limerick, Ireland..
    Rasmuson, Åke C.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Transport Phenomena.
    Probing Crystal Nucleation of Fenoxycarb from Solution through the Effect of Solvent2019In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 19, no 4, p. 2037-2049Article in journal (Refereed)
    Abstract [en]

    Induction time experiments, spectroscopic and calorimetric analysis, and molecular modeling were used to probe the influence of solvent on the crystal nucleation of fenoxycarb (FC), a medium-sized, flexible organic molecule. A total of 800 induction times covering a range of supersaturations and crystallization temperatures in four different solvents were measured to elucidate the relative ease of nucleation. To achieve similar induction times, the required thermodynamic driving force, RT In S, increases in the order: ethyl acetate < toluene < ethanol < isopropanol. This is roughly matched by the order of interfacial energies calculated using the classical nucleation theory. Solvent solute interaction strengths were estimated using three methods: solvent-solute enthalpies derived from calorimetric solution enthalpies, solvent-solute interactions from molecular dynamics simulations, and the FTIR shifts in the carbonyl stretching corresponding to the solvent solute interaction. The three methods gave an overall order of solvent solute interactions increasing in the order toluene < ethyl acetate < alcohols. Thus, with the exception of FC in toluene, it is found that the nucleation difficulty increases with stronger binding of the solvent to the solute.

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