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Synthesis, crystal structure and magnetic properties of a new hydroxylammonium fluoroferrate
Brina Dojer, Matjaž Kristl, Zvonko Jagličić, Amalija Golobič, Marta Kasunič, Mihael Drofenik, 2012, izvirni znanstveni članek

Opis: This paper reports on the synthesis of a new hydroxylammonium fluoroferrate, with the formula $(NH_3OH)_3FeF_6$, obtained after dissolving iron powder in hydrofluoric acid and adding solid $NH_3OHF$. This new compound has been characterized by chemical and thermal analysis, single-crystal X-ray diffraction, and magnetic measurements. The title compound crystallizes trigonal, R3c, with cell parameters a = 11.4154(2) Å, c = 11.5720(2) Å, Z = 6. The structure consists of $NH_3OH^+$ cations and isolated $FeF_6^{3–}$ octahedra in which the central ion lies on a threefold axis. The oxygen and nitrogen atoms of the hydroxylammonium cations are donors of hydrogen bonds to fluoride anions, resulting in a network of hydrogen bonds between counterions. The effective magnetic moment $µ_{eff}$ = 5.8 BM was calculated and perfectly matches the expected value of high-spin Fe(III) ions. The thermal decomposition of the compound was studied by TG, DSC, and X-ray powder diffraction.
Ključne besede: inorganic chemistry, crystallography, coordination compounds, synthesis, crystal structure, characterization of compounds, determination of the structure of compounds, X-ray diffraction, magnetic measurements, thermal analysis, TG, DSC, hydrogen bond, metal complexes, hydroxylammonium fluoromethalatehydroxylammonium, fluoroferrate
Objavljeno: 25.08.2017; Ogledov: 929; Prenosov: 47
.pdf Celotno besedilo (198,42 KB)
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Synthesis and characterisation of hydroxylammonium fluorochromate
Matjaž Kristl, Mihael Drofenik, Ljubo Golič, Amalija Golobič, 2003, izvirni znanstveni članek

Opis: Reactions in the system $Cr – NH_3OHF – HF – H_2O$ were investigated. Green crystals of a new compound with the formula $(NH_3OH)_3CrF_6$ have been isolated from the water solution and characterized by chemical analysis. The compound crystallizes as triclinic, P-1, with cell parameters: a = 6.5461(2) Å, b = 6.9347(2) Å, c = 9.4072(3) Å, α = 86.772(1)°, β = 83.804(1)°, γ = 70.283(1)°. The effective magnetic moment, $µ_{eff}$ = 3.82 BM, was calculated from magnetic susceptibility measurements in the temperature range 80-290 K. The thermal decomposition of the compound was studied by TG and DSC analysis. $(NH_3OH)_3CrF_6$ decomposes above 125 °C in three steps and the residue has been identified by X-ray powder diffraction as $α – Cr_2O_3$.
Ključne besede: inorganic chemistry, structural chemistry, crystalline structure, coordination compounds, synthesis, inorganic reactions, thermal decomposition, characterization of compounds, TG, DSC, X-ray diffraction, chromium complexes, hydroxylammonium fluoro chromates, crystals
Objavljeno: 25.08.2017; Ogledov: 823; Prenosov: 73
.pdf Celotno besedilo (206,45 KB)
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Multi-objective synthesis of company’s supply-networks based on integration of renewable resources
Annamaria Vujanović, 2017, doktorska disertacija

Opis: The aim of this doctoral dissertation was to develop a general methodology for sustainable integration of company's supply networks into nearby regional networks by i) integrating renewables, thereby increasing company's energy self-sufficiency, ii) by performing multi-objective synthesis in order to obtain economically efficient and yet environmentally benign or even unburdening solutions, and iii) to perform dynamic and stochastic synthesis under uncertainties in dynamically changing market conditions in order to obtain more reliable and realistic solutions. The research work is directly interlinked with a large-scale European meat producing company Perutnina Ptuj d.d., which is located in the heart of Slovenia. The aim of the first part was to integrate renewables into companies’ supply-networks at regional level in order to maximize the self-sufficiencies of their energy supplies. This concerns companies’ activities from the use of natural resources to supplying their final products to the customers being interlinked with their regional networks. A Mixed-Integer Linear Programming (MILP) model has been developed for the integration of both the companies’ and surrounding regional supply-networks and the utilization of different types of renewables as sources for the companies’ energy supplies. The potential renewable energy sources, which are located within companies surrounding region are solar, biomass, organic and animal wastes. The result indicates that by sufficient integration of renewables into companies’ supply networks, profitable and yet energy self-sufficient solutions can be obtained. The second part presents the multi-objective synthesis of a company’s supply-network by integrating renewables and accounting for several environmental footprints. A previously developed model for achieving energy self-sufficiency by integrating renewables into companies’ supply-networks has been extended for the evaluation of environmental impacts, such as energy, carbon, nitrogen, and water footprints. The achievement of an energy self-sufficient supply-network has been considered whilst significantly reducing environmental impacts. Direct (burdening) and indirect (unburdening) effects that form total effects on the environment are considered for the evaluation of environmental footprints. This approach identifies those alternative energy production technologies that are more profitable and environmentally more benign with significant unburdening capabilities. The results showed significant unburdening of the environment in terms of carbon and nitrogen footprints; however, higher burdening in terms of the water footprint. The third part presents a multi-objective MILP synthesis of a dynamic supply-network under uncertainty applied to the company. The previously-developed multi-objective model for achieving energy self-sufficiency by integrating renewables into companies’ supply-networks has now been extended to account for the dynamic consideration of variable supply and demand over the year, for uncertainties related to products’ demand and sun radiation, and for multi-objective optimisation, in order to obtain the most sustainable company’s supply-network. The sustainable synthesis of a company’s network is performed regarding the integration of the renewables such as biomass and other wastes, and solar energy. The obtained solutions are those reflecting maximal profit, reflecting constantly-changing dynamic market conditions, accounting for several uncertain parameters, and protecting the environment.
Ključne besede: Company's supply network, Renewables, Environmental Impacts, Dynamic synthesis, Flexibility, Multi-objective optimisation, Uncertainty
Objavljeno: 21.07.2017; Ogledov: 834; Prenosov: 110
.pdf Celotno besedilo (1,89 MB)

Synthesis of nanocrystalline nickel-zinc ferrites within reverse micelles
Vuk Uskoković, Mihael Drofenik, 2003, izvirni znanstveni članek

Opis: Nanocrystalline nickel-zinc ferrites were synthesized via a reverse micelle microemulsion route. The precursor cations were precipitated in the microemulsion system CTAB/1-hexanol/water. A subsequent oxidizing reaction was used to synthesize the nickel-zinc ferrite. The obtained nanoparticles were less than 20 nm in size.
Ključne besede: nanomaterials, ferrite, powders synthesis, microemulsion, reverse micelle
Objavljeno: 23.03.2017; Ogledov: 545; Prenosov: 68
.pdf Celotno besedilo (109,33 KB)
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Lidija Čuček, 2013, doktorska disertacija

Opis: This doctoral dissertation, which consists of four substantive wholes, presents several syntheses of sustainable bioprocesses using computer-aided process engineering. In the first part the synthesis of different integrated processes of ethanol production from the entire corn plant is presented. The synthesis of different processes is in the second part further extended to the simplified and more comprehensive synthesis of bioproducts in the whole production supply chain network. Synthesis is based on the generic optimisation model of biomass production and supply chain networks. In the third part three methods for sustainable development assessment, suitable for multi-criteria optimisation, are presented: method of sustainability indexes, footprints and combined criteria, such as eco- and total profit. Methods are further upgraded with indirect effects in order to measure the unburdening the environment, associated with the use and replacement of environmentally-harmful products. Methods include the direct, indirect and total impacts on the environment. In the last part the methodology for reducing a large number of criteria within multi-objective optimisation to a small number of representative criteria is presented. This method is presented on the case of environmental footprints.
Ključne besede: Biomass energy generation, Supply chain networks, Synthesis of sustainable bioprocesses, Life Cycle Analysis, Sustainability assessment, Multi-objective optimisation, Dimensionality reduction, Representative Objectives Method
Objavljeno: 06.05.2013; Ogledov: 1744; Prenosov: 217
.pdf Celotno besedilo (4,29 MB)

Preparation of Au[sub]2S[sub]3 and nanocrystalline gold by sonochemical method
Matjaž Kristl, Mihael Drofenik, 2003, izvirni znanstveni članek

Opis: We report a new synthesis of ▫$Au_2S_3$▫ by a sonochemical reaction between ▫$Au(CH_3COO)_3$▫ and S in decalin at room temperature in nitrogen atmosphere. When gold acetate is sonicated under similar conditions without the presence of sulfur, nanocrystalline gold is formed. The products were characterised by X-ray powder diffraction, transmission electron microscope and thermal analysis (IG and DSC). The synthesis procedure is substantially simpler than the previously reported methods.
Ključne besede: sonochemistry, sonochemical reactions, gold, sulfides, sonochemical synthesis, nanostructures
Objavljeno: 01.06.2012; Ogledov: 1193; Prenosov: 21
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The characterisation of nanosized nickel-zinc ferrites synthesized within reverse micelles of CTAB/1-hexanol/water microemulsion
Vuk Uskoković, Mihael Drofenik, Irena Ban, 2004, izvirni znanstveni članek

Opis: Stoichiometric nanocrystalline nickel-zinc ferrites were synthesized by a reverse micelle method following a multi-microemulsion approach. Different pH values were chosen for the alkali precipitating reaction during the synthesis of different powders. Synthesized, as-dried and subsequently calcined powders were characterized in terms of their magnetic properties. XRD analyses and specific-surface area measurements were used to determine the average particlesizes of the synthesized samples. DCS and TGA measurements were performed to reveal the phase transitions within the samples at elevated temperatures, whereas TEM was used to view and record the microstructure of the nanosized ferrite samples. A possible mechanism of the formation of the synthesized NiZn-ferrite was also discussed.
Ključne besede: magnetic materials, magnetic nanoparticles, microemulsion synthesis, nickel, iron, fine powders, Ni-Zn ferrites, reverse micelle method
Objavljeno: 01.06.2012; Ogledov: 1340; Prenosov: 20
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A strategy for MINLP synthesis of flexible and operable processes
Zorka Novak-Pintarič, Zdravko Kravanja, 2004, izvirni znanstveni članek

Opis: Abstract This paper presents a sequential two-stage strategy for the stochastic synthesis of chemical processes in which flexibility and static operability (the ability to adjust manipulated variables) are taken into account. In the first stage, the optimal flexible structure and optimal oversizing of the process units are determined in order to assure feasibility of design for a fixed degree of flexibility. In the second stage, the structural alternatives and additional manipulative variables are included in the mathematical model in order to introduce additional degrees of freedom for efficient control. The expected value of the objective function is approximated in both stages by a novel method, which relies on optimization at the central basic point (CBP). The latter is determined by a simple set-up procedure based on calculations of the objective functionćs conditional expectations for uncertain parameters. The feasibility is assured by simultaneous consideration of critical vertices. The important feature of the proposed stochastic model is that its size depends mainly on the number of design variables and not on the number of uncertain parameters. The strategy is illustrated by two examples for heat exchanger network synthesis.
Ključne besede: chemical processing, process synthesis, MINLP, mixed integer nonlinear programming, flexibility, operability, controllability, steady state model
Objavljeno: 01.06.2012; Ogledov: 1726; Prenosov: 69
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Hydroxylammonium fluorogermanates
Irena Ban, Matjaž Kristl, Mihael Drofenik, Arkadije Popović, 2004, izvirni znanstveni članek

Opis: A new hydroxylammonium compound (NH3OH)2GeF6, has been synthesized by the addition of solid NH3OHF to a solution of GeO2 dissolved in 20% HF. The compound was characterized by chemical analysis and X-ray powder diffraction, the thermal decomposition was studied by thermal analysis and mass spectrometry. (NH3OH)2GeF6 crystallizes monoclinic. Two endothermic and two exothermic peaks have been observed on the DSC curve, the decomposition product at 500 °C is GeO2.
Ključne besede: inorganic chemistry, synthesis, characterisation, hydroxylammonium fluorogermanates, x-ray powder diffraction, mass spectroscopy, thermal analysis
Objavljeno: 01.06.2012; Ogledov: 1731; Prenosov: 72
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An integrated strategy for the hierarchical multilevel MINLP synthesis of overall process flowsheets using the combined synthesis/analysis approach
Nataša Iršič Bedenik, Bojan Pahor, Zdravko Kravanja, 2004, izvirni znanstveni članek

Opis: This paper describes an integrated strategy for a hierarchical multilevel mixed-integer nonlinear programming (MINLP) synthesis of overall process schemes using a combined synthesis/analysis approach. The synthesis is carried out by multilevel-hierarchical MINLP optimization of the flexible superstructure, whilst the analysis is performed in the economic attainable region (EAR). The role of the MINLP synthesis step is to obtain a feasible and optimal solution of the multi-D process problem, and the role of the subsequent EAR analysis step is to verify the MINLP solution and in the feedback loop to propose any profitable superstructure modifications for the next MINLP. The main objective of the integrated synthesis is to exploit the interactions between the reactor network, separator network and the remaining part of the heat/energy integrated process scheme.
Ključne besede: multilevel MINLP, MINLP synthesis, attainable region, economic attainable region, concentration attainable region, continous stirred tank reactor, plug flow reactor, recycle reactor, nonlinear programming, mixed integer nonlinear programme
Objavljeno: 01.06.2012; Ogledov: 1975; Prenosov: 86
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