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1.
Synthesis of regional networks for biomass and biofuel production
Hon Loong Lam, 2010, doktorska disertacija

Opis: This thesis presents two different approaches to the synthesis of regional networks for biomass and biofuel production and supply: Mathematical Programming and Graph Theoretic approach. The optimisation criterion for both approaches is the maximisation of profit. The first approach is based on a generic optimisation model of biomass production and supply networks. This superstructure approach is based on a flexible number of network layers: plantation, collection using a pre-treatment, process, and consumption. A Mixed Integer Linear Programming (MILP) model has been successfully developed during this work. However, the solution of this biomass production network model is very challenging due to the large sizes of the networks and the number of interconnections. The huge number of redundant variables reduces model efficiency (time taken to solve the model and the interpretation of the results). This model when representing very large size networks cannot be solved over a reasonable time even by professional mathematical programming software tools. Several model-size reduction techniques are therefore proposed for the solution of large-scale networks. In particular, methods are proposed for (i) reducing the connectivity within a biomass supply chain network by setting the maximum allowable distance between the supply zones to the collection centres, (ii) eliminating unnecessary variables and constrains to reduce the zero-flows in the full model, and (iii) aggregating the network and hence the synthesis process by merging the collection centres. The network synthesis is also carried out by P-graph (Process Graph) tools. P-graph is a directed bipartite graph, having two types of vertices — one for operating units and another for those objects representing material or energy flows/quantities. In this procedure, firstly a maximum feasible superstructure for biomass production network is generated from which the optimal structure is then selected by the Branch and Bound method. This graph-based method clearly shows where, how, and what kind of material and energy carriers will be transferred from one supply chain layer to another. In order to test the efficiency of the model, a small regional renewable network problem was solved using both methods. Their performances were tested and the results confirmed the applicability on a regional scale. The proposed model-size reduction techniques were also tested. A large-scale regional case study was created to demonstrate these techniques. The results are very positive and some suggestions for future work are given in the conclusion.
Ključne besede: Biomass and bioenergy network synthesis, Model-size reduction techniques, Mathematical Programming, MILP, P-Graph
Objavljeno: 06.01.2011; Ogledov: 2508; Prenosov: 84
.pdf Celotno besedilo (4,25 MB)

2.
The synthesis of iron-nickel alloy nanoparticles using a reverse micelle technique
Irena Ban, Mihael Drofenik, Darko Makovec, 2006, izvirni znanstveni članek

Opis: Nanosized Fe0.2Ni0.8 particles were prepared by reducing their salts with sodium borohydride (NaBH4) in cationic water-in-oil (w/o) microemulsions of water/cetyl-trimethyl-amonium bromide (CTAB) and n-butanol/isooctane at 25 °C.According to the TEM and X-ray diffraction analyses, the synthesized particles were around 4-12 nm in size. Due to their nanodimensions, the particles had a primitive cubic (pc) structure rather than the body-centered cubic (BCC) structure of the bulk material. An examination of the synthesis from the reverse micelle reveals that the morphology of the iron-nickel alloy nanoparticles depends mainly on the microemulsion`s composition. The magnetization of the nanoparticles was much lower than that of the bulk material, reflecting the influence of the nanodimensions on the particlesć magnetizations.
Ključne besede: magnetic materials, nickel/iron alloys, nanoparticles, synthesis, microemulsions, magnetic properties, reverse micelles
Objavljeno: 31.05.2012; Ogledov: 1164; Prenosov: 58
URL Povezava na celotno besedilo

3.
Aryl acrylate porous functional polymer supports from water-in-oil-in-water multiple emulsions
Dejan Štefanec, Peter Krajnc, 2007, izvirni znanstveni članek

Opis: Porous functional polymer supports are a class of material of wide interest due to the possibility of immobilising reactive species. A simplified procedure was applied for the preparation of porous polymer supports using a water-in-oil-in-water multiple emulsion. The primary emulsion was a high internal phase emulsion, having a volume fraction of water phase up to 95%. Two reactive acrylates, namely 4-nitrophenyl acrylate and 2,4,6-trichlorophenyl acrylate, were (separately) incorporated in the oil phase in order to obtain porous reactive polymer supports. Both acrylates were crosslinked with either divinylbenzene or ethylene glycol dimethacrylate, and beads of size ca 60 m were obtained after the polymerisation of droplets suspended into the secondary aqueous phase. In the case of 4-nitrophenyl acrylate and divinylbenzene as a crosslinker, particles with a star shape, the core being ca 60 m in diameter and the arms ca 180 m in length, were obtained. The polymers were functionalised with morpholine, tris(2-aminoethyl)amine, piperidine or piperazine yielding supports with loadings of reactive groups of between 2.6 and 6.6 mmol g-1. The results show that multiple emulsions can be precursors for porous polymer preparation.
Ključne besede: multiple emulzije, polimerni nosilci, HIPE, organska sinteza na trdni fazi, polimerni lovilci, emulzija z visokim deležem notranje faze, aril akrilati, multiple emulsions, polymer supports, HIPE, solid phase organic synthesis, polymer supported scavengers, high internal phase emulsions, arylacrylates
Objavljeno: 31.05.2012; Ogledov: 1515; Prenosov: 72
URL Povezava na celotno besedilo

4.
Atrazine removal by covalent bonding to piperazine functionalized PolyHIPEs
Irena Pulko, Mitja Kolar, Peter Krajnc, 2007, izvirni znanstveni članek

Opis: The removal of atrazine from water by a solid phase extraction technique usinginsoluble polymers is described. Porous crosslinked polymers bearing piperazine moieties were prepared in a one step reaction from the precursor 4-nitrophenylacrylate incorporating polymers (PolyHIPE type prepared by the polymerization of the continuous phase of a high internal phase emulsion and polymer beads prepared by suspension polymerization). Polymers were applied tosequester atrazine from aqueous solutions with a concentration of 33 ppb andirreversible covalent bonding to the polymers was achieved. GC/MS/MS was used to monitor the dynamics of atrazine uptake and it was found that almost complete removal of atrazine was acomplished with an excess of polymer after 48 hours at room temperature. For comparison, polymer beads of identical chemistry but lower porosity were also used and showed significantly slower action (near complete removal after 72 hours).
Ključne besede: polymer supports, polymer scavengers, monoliths, emulsion polymerisation, solid-phase synthesis
Objavljeno: 31.05.2012; Ogledov: 1313; Prenosov: 55
URL Povezava na celotno besedilo

5.
Synthesis of non-isothermal heat integrated water networks in chemical processes
Miloš Bogataj, Miguel J. Bagajewicz, 2008, izvirni znanstveni članek

Opis: This paper presents a new approach for the simultaneous synthesis and optimization of heat integrated water networks. A new superstructure for heat exchanger network (HEN) synthesis is proposed. The procedure is based on mixed integer non-linear mathematical programming (MINLP). Four relevant examples are presented to illustrate various aspects of the proposed approach.
Ključne besede: chemical processing, chemical process design, process water networks, water networks, wastewater minimization, heat integration, MINLP, HEN synthesis, superstructures, process synthesis
Objavljeno: 31.05.2012; Ogledov: 1227; Prenosov: 49
URL Povezava na celotno besedilo

6.
7.
PolyHIPE supports in batch and flow-through Suzuki cross-coupling reactions
Jane F. Brown, Peter Krajnc, Neil R. Cameron, 2005, izvirni znanstveni članek

Opis: As part of ongoing research efforts to discover alternative support materials to polymer beads for use in polymer-supported synthesis, particularly under flow-through conditions, this work involves the synthesis of PolyHIPE (High Internal Phase Emulsion) polymer monoliths. PolyHIPEs containing high loadings of chloromethyl groups were efficiently prepared by the direct copolymerization of 4-vinylbenzyl chloride and divinylbenzene monomers. The 'Merrifield' PolyHIPE proved to be an excellent support for batch and flow-through Suzuki cross-coupling reactions. A remarkably high yield of pure biaryl product was obtained using the PolyHIPE support in cubic form and utilizing an electron-rich boronic acid. In comparison to polymer beads, this material was found to be a much more efficient support in both batch and continuous flow modes. PolyHIPE converted a greater amount of chloromethyl groups into biaryl product under identical reaction conditions. It is suggested that the absence of channelling with PolyHIPE monoliths gives better performance under flow-through conditions than permanently porous beads.
Ključne besede: polymer supports, polymer monoliths, emulsion polymerisation, solid-phase synthesis, cross-coupling reactions
Objavljeno: 01.06.2012; Ogledov: 1235; Prenosov: 31
URL Povezava na celotno besedilo

8.
The multilevel MINLP optimization approach to structural synthesis: the simultaneous topology, material, standard and rounded dimension optimization
Stojan Kravanja, Simon Šilih, Zdravko Kravanja, 2005, izvirni znanstveni članek

Opis: The paper describes the simultaneous topology, material, standard and rounded dimension optimization of mechanical structures, performed by the Mixed-Integer Non-linear Programming (MINLP) approach. Beside the generation of an MINLP mechanical superstructure, the development of a general multilevel MINLP formulation for a mechanical superstructure is presented. The consideration of the discrete materials as well as standard and particularly rounded dimensions in structural synthesis significantly increases the combinatorics of the discrete optimization, which as a result may become too difficult to solve. A Linked Multilevel Hierarchical Strategy (LMHS) has been introduced for the solving of such large combinatorial problems. In order to decrease the effect of non-convexities, the Modified Outer-Approximation/Equality-Relaxation (OA/ER) algorithm has been applied. Four numerical examples of different complexities are presented to illustrate the proposed multilevel MINLP optimization approach: the optimization of two steel trusses, a composite I beam and a hydraulic steel roller gate Intake gate, erected in Aswan II, Egypt.
Ključne besede: structural optimization, structural synthesis, MINLP, topology opitmization, material optimization, discrete variable optimization, multilevel MINLP strategy, truss, composite beam, roller gate
Objavljeno: 01.06.2012; Ogledov: 1568; Prenosov: 55
URL Povezava na celotno besedilo

9.
4-vinylbenzyl chloride based porous spherical polymer supports derived from water-in-oil-in-water emulsion
Dejan Štefanec, Peter Krajnc, 2005, izvirni znanstveni članek

Opis: 4-Vinylbenzyl chloride (VBC) based water-in-oil-in-water emulsions with 85% pore volume and 70% VBC in organic phase were prepared and polymerised by free radical polymerisation. Porous spherical particles of diameters between 50 and 150 m were obtained and their morphological structure and reactivity studied by FTIR spectroscopy, elemental analysis, optical microscopy, scanning electron microscopy and mercury intrusion porosimetry. Strong influence of the suspension stabiliser, namely poly(N-vinylpyrrolidone) (PVP), on the particle form was found. Diameters of spherical polymers particles depend on the PVP concentration, being larger with the lower concentration of PVP. Reactivity of novel supports was demonstrated by the reactions with piperidine, piperazine, tris(hydroxymethyl)methylamine and tris(2-aminoethyl)amine, all yielding corresponding amine derivatives.
Ključne besede: multiple emulsions, polymer supports, 4-vinylbenzyl chloride, solid phase synthesis, solid phase synthesis, high internal phase emulsions
Objavljeno: 01.06.2012; Ogledov: 1123; Prenosov: 11
URL Povezava na celotno besedilo

10.
Comparison of the esterification of fructose and palmitic acid in organic solvent and supercritical carbon dioxide
Saša Šabeder, Maja Leitgeb, Željko Knez, 2005, izvirni znanstveni članek

Opis: Sugar fatty acid esters are nonionic surfactants, which are used for personal care products, cosmetic applications, and as emulsifiers for food. In recent years, enzymatic synthesis of sugar fatty acid esters is attracting keen attention as a new manufacturing method for future application. Reaction parameters of lipase-catalyzed synthesis of fructose fatty acid esters in organic solvent were optimized in a batch reactor at atmospheric pressure. Optimum conditions for reaction performed in organic solvent at atmospheric pressure were 10% (wžw of substrates) of lipase from Candida antarctica B, 12.14% (wžw of reaction mixture) of molecular sieves at 60 C, and stirring rate of 600 rpm. Esterification of fructose and palmitic acid was performed insupercritical carbon dioxide with and without addition of cosolvent (organicsolvent) at 60 C. Effect of pressure on enzyme activity was studied.
Ključne besede: chemical processing, high pressure technology, supercritical CO2, esterification, organic solvent, lipase catalysed synthesis, fructose fatty esters, Candida antarctica B, enzyme activity
Objavljeno: 01.06.2012; Ogledov: 1215; Prenosov: 35
URL Povezava na celotno besedilo

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