Statistical Analysis and Numerics of Heat Exchanger Models

The identifiability of the parameters of a heat exchanger model without phase change was studied in this Master’s thesis using synthetically made data. A fast, two-step Markov chain Monte Carlo method (MCMC) was tested with a couple of case studies and a heat exchanger model. The two-step MCMC-method worked well and decreased the computation time compared to the traditional MCMC-method. The effect of measurement accuracy of certain control variables to the identifiability of parameters was also studied. The accuracy used did not seem to have a remarkable effect to the identifiability of parameters. The use of the posterior distribution of parameters in different heat exchanger geometries was studied. It would be computationally most efficient to use the same posterior distribution among different geometries in the optimisation of heat exchanger networks. According to the results, this was possible in the case when the frontal surface areas were the same among different geometries. In the other cases the same posterior distribution can be used for optimisation too, but that will give a wider predictive distribution as a result. For condensing surface heat exchangers the numerical stability of the simulation model was studied. As a result, a stable algorithm was developed.

Estudo teórico da interação existente entre a artemisinina e o heme

The purpose of this work is to study theoretically stereoelectronic aspects of the interaction between heme and artemisinin in the transitional heme-artemisinin complex. Through semi-empirical calculations using the PM3 method, the potential energy barrier of artemisinin rotation relative to heme in the heme-artemisinin complex was studied in vacuum and in the partially solvated state. The minimum heat of formation obtained for the complex with and without water molecules is -702.39 and -100.86 kcal mol-1, respectively, which corresponds to the dihedral angle C-Fe-O1-O2 of 43.93º and 51.90º around the iron-oxygen O1 bond, respectively. The water molecules bind to heme via 13 hydrogen bonds and O-H•••O and 6 C-H•••O interactions, which accounts for -67.23 kcal mol-1. It is observed that the inclusion of water molecules does not affect significantly the stability of the heme-artemisinin complex.

Optimization of energy in a pulp mill

This study presents examination of ways to increase power generation in pulp mills. The main purpose was to identify and verify the best ways of power generation growth. The literature part of this study presented operation of energy pulp mill departments, energy consumption and generation by the recovery and power boilers. The second chapter of this part described the main directions for increase of electricity generation rise of black liquor dry solid content, increase of main steam parameters, flue gas heat recovery technologies, feed water and combustion air preheating. The third chapter of the literature part presented possible technical, environment and corrosion risks appeared from described alternatives. In the experimental part of this study, calculations and results of possible models with alternatives was presented. The possible combinations of alternatives were generated in 44 `models of energy pulp mill. The target of this part was define extra electricity generation after alternatives using and estimate profitability of generated models. The calculations were made by computer programme PROSIM. In the conclusions, the results were estimated on the basis of extra electricity generation and equipment design data of models. The profitability of cases was verified by their payback periods and additional incomes.

Projecte executiu d'una instal·lació de climatització i control d'un habitatge unifamiliar

Moltes vegades l’usuari d’una instal•lació de climatització o calefacció, no dóna la suficient importància al sistema que l’hi ha de proporcionar un millor confort amb el màxim rendiment. Aquest confort és un factor determinant, entre molts d’altres, de la “qualitat de vida”. Mentre que el rendiment és un factor important a nivell econòmic i ecològic. Tot i tenir prevalença els aspectes d’estalvi energètic, aquests no impliquen haver de renunciar a un confort tèrmic i a un estalvi econòmic. Un dels aspectes que es centra el projecte és promoure l’ús racional de les fonts energètiques (solar, biomassa) per a la correcta climatització dels habitatges. El projecte es desenvolupa en l’àmbit domèstic, concretament correspon a un habitatge unifamiliar. Aquest està situat a la població de Roda de Ter, província de Barcelona. L’objectiu principal del projecte és l’elecció del sistema de climatització i el seu dimensionament, per tal de donar el màxim confort als usuaris que habitin a la vivenda. Criteris ambientals i eficients han estat objecte a considerar pel disseny constructiu de l’habitatge. Una de les mesures importants presses en el projecte, ha estat l’elecció de les diferents parts que formen la instal•lació de climatització. Es fa referència als aïllaments dels tancaments, el sistema solar de recolzament, equips de producció de fred i calor, entre d’altres. En el projecte, s’ha dut a terme un estudi dels diferents tancaments de l’habitatge, tot determinat per a cada un d’ells, el seu coeficient de transmissió tèrmica. Per seleccionar l’equipament més adequat s’ha partit de les condicions climatològiques del municipi de Roda de Ter i s’ha realitzat el càlcul de les necessitats tèrmiques de l’edifici. L’habitatge incorpora una instal•lació de captació solar tèrmica. Aquesta aportarà un suport energètic a tot el sistema de producció de calor, ja sigui per la producció d’aigua calenta sanitària com per el calefactat de la vivenda. La col•locació dels panells a la façana sud tindrà una doble funció: a més de proporcionar energia solar tèrmica, serviran d’elements de protecció solar en la temporada d’estiu. La caldera usada per donar recolzament tèrmic utilitzarà com a combustible el “pellet”. El “pellet” és un tipus de biomassa llenyosa que consta d’un derivat de la fusta en format granulat. Es defineix i es detalla el consum energètic en biomassa, electricitat i cost econòmic anual que ocasionarà la instal.lació dissenyada. El sistema de terra radiant adoptat permetrà el refrescament en èpoques estivals i el calefactat en èpoques hivernals. Aquest donarà el confort tèrmic necessari a cada estança de l’habitatge. En el projecte també es marquen les pautes bàsiques pel control de la instal•lació solar així com el control dels grups de bombament i la mescla d’aigua del terra radiant.

Development of a microprocessor controlled energy harvester using a Peltier element

Nowadays it is necessary to research other types of energy alternatives and find the way to supply and save the energy we waste. The aim of the project consist of programming a microprocessor to measure if an oven radiates heat to the exterior, for the measure It is used a Peltier element that generates a voltage depending of the temperature difference between the oven and the air of the place where the oven is situated; The energy generated by the oven will be recollected in a condensor. A sensor will be used to know the exact measure. The second part of the project the main propose, is the development of a harvester. The microprocessor will use the voltage produced by the Peltier element to supply the electricity that it needs to work. A low power circuit and the appropriate software are needed to save the voltage generated.

Sustainable Waste-to-Energy Production: Performance Evaluation of Distributed Generation fuelled by Landfill Gas

The environmental impact of landfill is a growing concern in waste management practices. Thus, assessing the effectiveness of the solutions implemented to alter the issue is of importance. The objectives of the study were to provide an insight of landfill advantages, and to consolidate landfill gas importance among others alternative fuels. Finally, a case study examining the performances of energy production from a land disposal at Ylivieska was carried out to ascertain the viability of waste to energy project. Both qualitative and quantitative methods were applied. The study was conducted in two parts; the first was the review of literatures focused on landfill gas developments. Specific considerations were the conception of mechanism governing the variability of gas production and the investigation of mathematical models often used in landfill gas modeling. Furthermore, the analysis of two main distributed generation technologies used to generate energy from landfill was carried out. The review of literature revealed a high influence of waste segregation and high level of moisture content for waste stabilization process. It was found that the enhancement in accuracy for forecasting gas rate generation can be done with both mathematical modeling and field test measurements. The result of the case study mainly indicated the close dependence of the power output with the landfill gas quality and the fuel inlet pressure.

Kierrätyspolttoaineiden käyttö leijukerrospoltossa vetykaasun kanssa

Tämä diplomityö on tehty Leppäkosken Energia Oy:n ja Kemira Chemicals Oy:n yhteisyritys FC Energia Oy:lle. FC Energia Oy suunnittelee rakentaa uutta bio-vetyvoimalaitosta Sastamalaan. Voimalaitoksella tuotettaisiin Kemira Chemicals Oy:n ylijäämävedystä ja biopolttoaineista sähköä, kaukolämpöä ja prosessihöyryä. Ympäristölupaa on haettu hakkeen, turpeen ja kierrätyspuun poltolle vetykaasun kanssa. Voimalaitoksen kattilan toiminta perustuu kuplivaan leijukerrostekniikkaan. Diplomityössä selvitettiin, mitä muutoksia kierrätyspolttoaineiden käyttö vaatii leijukerrospoltossa verrattuna hakkeen ja turpeen polttoon. Kierrätyspolttoaineena käytetään hyvälaatuista kierrätyspuuta. Kierrätyspuun käytössä sovelletaan jätteenpoltto-asetusta. Jätteenpolttoasetus määrää tiukemmat päästöjen raja-arvot rinnakkaispoltolle kuin hakkeen ja turpeen poltolle sekä jatkuvatoimiset savukaasujen mittauslaitteet. Rinnakkaispolton hiukkasmaisten päästöjen tiukempi raja-arvo vaatii tehokkaamman sähkösuodattimen. Lisäksi kierrätyspuuta käytettäessä tulistimen materiaaliin tulee olla kestävämpää, mikä aiheuttaa huomattavan lisäinvestoinnin. Työn päätavoitteena oli selvittää, onko kierrätyspuun käyttö taloudellisesti kannattavaa. Oletetulla kierrätyspuun hinnalla 10 €/MWh kierrätyspuuta polttavan voimalaitoksen takaisinmaksuaika on sama kuin haketta polttavan laitoksen ja vuoden lyhyempi kuin turvetta polttavan laitoksen. Tulokseksi saatiin, että rinnakkaispoltto käyttö on taloudellisesti kannattavaa hakkeenpolttoon nähden jos kierrätyspuun hinta on alle 11,2 €/MWh. Kierrätyspuun polttoon liittyy toiminnallinen riski, koska vastaavanlaisia rinnakkaispolttolaitoksia ei ole aiemmin rakennettu.

Arinakattilan lämmönsiirron laskentamallin kehittäminen

Kattilalaitosten polttoaineen syötössä ilmenevät häiriöt ja biopolttoaineiden laatuvaihtelut aiheuttavat epävakaata palamista ja tekevät prosessin hallinnasta vaikeampaa. Polttoaineen laatuvaihtelut vaikuttavat koko prosessiin ja näkyvät lopulta myös höyryntuotannossa. Kompensoinnilla pyritään estämään häiriöiden suuret vaikutukset höyryn tuotantoon. Tarkoituksena on saada kattilan toiminta ja tehon tuotanto tasaisemmaksi ja helpommin hallittavaksi. Tässä diplomityössä tarkastellaan polttoaineen ominaisuuksien, säteilylämmönsiirron sekä säätöjen vaikutusta toisiinsa ja merkitystä kattilan toiminnan kannalta. Työssä muodostetaan säteilylämmönsiirron laskentamalli arinakattilan tulipesälle käyttäen hyväksi hyvin sekoittuneen tulipesän menetelmää. Menetelmällä voidaan määrittääsavukaasujen keskimääräinen lämpötila tulipesässä, lämpövirta tulipesän seiniin tai poltossa vapautuva lämpöteho. Mallin avulla voidaan paremmin ymmärtää prosessin käyttäytymistä polttoaineen laadun muuttuessa sekä helpottaa ja nopeuttaa kattilan käyttäytymisen ennustamista. Laskentamalli tehtiin Excel –laskentaohjelmaan, jossa se testataan. Verifioinnin jälkeen malli on tarkoitus siirtää toimimaan apros –simulointiympäristöön.

Moisture sorption isotherms and isosteric heat determination in Chilean papaya (Vasconcellea pubescens)

The moisture sorption isotherms of Chilean papaya were determined at 5, 20, and 45 ºC, over a relative humidity range of 10-95%. The GAB, BET, Oswin, Halsey, Henderson, Smith, Caurie and Iglesias-Chirife models were applied to the sorption experimental data. The goodness of fit of the mathematical models was statistically evaluated by means of the determination coefficient, mean relative percentage deviation, sum square error, root-mean-square error, and chi-square values. The GAB, Oswin and Halsey models were found to be the most suitable for the description of the sorption data. The sorption heats calculated using the Clausius-Clapeyron equation were 57.35 and 59.98 kJ·mol-1, for adsorption and desorption isotherms, respectively.

Structural and reactivity analyses of 2-benzylamino-1,4-naphthoquinone by X-ray characterization, electrochemical measurements, and dft single-molecule calculations

This study represents an integrated approach towards understanding the electronic and structural aspects of 2-benzylamino-1,4-naphthalenedione, a representative 2-amino-napfthoquinone. To this end, theoretical calculations performed at the B3PW91/6-31+G(d) level of density functional theory, electrochemical and X-ray structural investigation were employed. Two intramolecular H-bonds and other two intermolecular H-bonds were observed, including non-classical interactions. Cyclic voltammogram (CV) and differential pulse voltammetry (DPV) show two pairs of peaks, being each one a monoelectronic process.

Application of GA-PLS and GA-KPLS calculations for the prediction of the retention indices of essential oils

Genetic algorithm and partial least square (GA-PLS) and kernel PLS (GA-KPLS) techniques were used to investigate the correlation between retention indices (RI) and descriptors for 117 diverse compounds in essential oils from 5 Pimpinella species gathered from central Turkey which were obtained by gas chromatography and gas chromatography-mass spectrometry. The square correlation coefficient leave-group-out cross validation (LGO-CV) (Q²) between experimental and predicted RI for training set by GA-PLS and GA-KPLS was 0.940 and 0.963, respectively. This indicates that GA-KPLS can be used as an alternative modeling tool for quantitative structure-retention relationship (QSRR) studies.

Stability of a nanofiltration membrane after contact with a low-level liquid radioactive waste

This study investigated the treatment of a liquid radioactive waste containing uranium (235U + 238U) using nanofiltration membranes. The membranes were immersed in the waste for 24-5000 h, and their transport properties were evaluated before and after the immersion. Surface of the membranes changed after immersion in the waste. The SW5000 h specimen lost its coating layer of polyvinyl alcohol, and its rejection of sulfate ions and uranium decreased by about 35% and 30%, respectively. After immersion in the waste, the polyamide selective layer of the membranes became less thermally stable than that before immersion.

Ultrafiltration membranes from waste polyethylene terephthalate and additives: synthesis and characterization

The synthesis and characterization of asymmetric ultrafiltration membranes from recycled polyethylene terephthalate (PET) and polyvinylpyrrolidone (PVP) is reported. PET is currently used in many applications, including the manufacture of bottles and tableware. Monomer extraction from waste PET is expensive, and this process has not yet been successfully demonstrated on a viable scale. Hence, any method to recycle or regenerate PET once it has been used is of significant importance from scientific and environmental research viewpoints. Such a process would be a green alternative due to reduced raw monomer consumption and the additional benefit of reduced manufacturing costs. The membranes described here were prepared by a phase-inversion process, which involved casting a solution containing PET, m-cresol as solvent, and polyethylene glycol (PEG) of different molecular weights as additives. The membranes were characterized in terms of pure water permeability (PWP), molecular weight cut-off (MWCO), and flux and membrane morphology. The results show that the addition of PEG with high molecular weights leads to membranes with higher PWP. The presence of additives affects surface roughness and membrane morphology.

Application of fourier transform infrared spectroscopy, chemical and chemometrics analyses to the characterization of agro-industrial waste

Agroindustrial waste in general presents significant levels of nutrients and organic matter and has therefore been frequently put to agricultural use. In this context, the objective of this study was to determine the chemical composition, nitrogen, phosphorus, potassium, calcium, magnesium and carbon content, as well as the qualitative characteristics through Fourier transform infrared spectroscopy of four samples of poultry litter and one sample of cattle manure, from the southwestern region of Paraná, Brazil. Results revealed that, in general, the poultry litter presented higher amount of nutrients and carbon than the cattle manure. The infrared spectra allowed identification of the functional groups present and the differences in degree of sample humification. The statistical treatment confirmed the quantitative and qualitative differences revealed.

TREATMENT OF WASTE FROM ATOMIC EMISSION SPECTROMETRIC TECHNIQUES AND REUSE IN UNDERGRADUATE LAB CLASSES FOR QUALITATIVE ANALYSIS

Flame atomic absorption spectrometry (FAAS) and inductively coupled plasma optical emission spectrometry (ICP OES) are widely used in academic institutions and laboratories for quality control to analyze inorganic elements in samples. However, these techniques have been observed to underperform in sample nebulization processes. Most of the samples processed through nebulization system are discarded, producing large volumes of waste. This study reports the treatment and reuse of the waste produced from ICP OES technique in a laboratory of analytical research at the Universidade Federal do Ceará, Brazil. The treatment of the waste was performed by the precipitation of elements using (NH4)2CO3. Subsequently, the supernatant solution can be discarded in accordance with CONAMA 430/2011. The precipitate produced from the treatment of residues can be reused as a potential sample in undergraduate qualitative analytical chemistry lab classes, providing students the opportunity to test a real sample.