Fluid flow and dispersion predictions in porous media by utilizing advanced numerical methods

Diplomityön tavoitteena oli tarkastella numeerisen virtauslaskennan avulla virtaukseen liittyviä ilmiöitä ja kaasun dispersiota. Diplomityön sisältö on jaettu viiteen osaan; johdantoon, teoriaan, katsaukseen virtauksen mallinnukseen huokoisessa materiaalissa liittyviin tutkimusselvityksiin, numeeriseen mallinnukseen sekä tulosten esittämiseen ja johtopäätöksiin. Diplomityön alussa kiinnitettiin huomiota erilaisiin kokeellisiin, numeerisiin ja teoreettisiin mallinnusmenetelmiin, joilla voidaan mallintaa virtausta huokoisessa materiaalissa. Kirjallisuusosassa tehtiin katsaus aikaisemmin julkaistuihin puoliempiirisiin ja empiirisiin tutkimusselvityksiin, jotka liittyvät huokoisen materiaalin aiheuttamaan painehäviöön. Numeerisessa virtauslaskenta osassa rakennettiin ja esitettiin huokoista materiaalia kuvaavat numeeriset mallit käyttäen kaupallista FLUENT -ohjelmistoa. Työn lopussa arvioitiin teorian, numeerisen virtauslaskennan ja kokeellisten tutkimusselvitysten tuloksia. Kolmiulotteisen huokoisen materiaalinnumeerisessa mallinnuksesta saadut tulokset vaikuttivat lupaavilta. Näiden tulosten perusteella tehtiin suosituksia ajatellen tulevaa virtauksen mallinnusta huokoisessa materiaalissa. Osa tässä diplomityössä esitetyistä tuloksista tullaan esittämään 55. Kanadan Kemiantekniikan konferenssissa Torontossa 1619 Lokakuussa 2005. ASME :n kansainvälisessä tekniikan alan julkaisussa. Työ on hyväksytty esitettäväksi esitettäväksi laskennallisen virtausmekaniikan (CFD) aihealueessa 'Peruskäsitteet'. Lisäksi työn yksityiskohtaiset tulokset tullaan lähettämään myös CES:n julkaisuun.

ADVANCED NUMERICAL METHODS FOR SIMULATING MICROBUBBLE IN AN AERATED MIXING TANK

Fluid mixing in mechanically agitated tanks is one of the major unit operations in many industries. Bubbly flows have been of interest among researchers in physics, medicine, chemistry and technology over the centuries. The aim of this thesis is to use advanced numerical methods for simulating microbubble in an aerated mixing tank. Main components of the mixing tank are a cylindrical vessel, a rotating Rushton turbine and the air nozzle. The objective of Computational Fluid Dynamics (CFD) is to predict fluid flow, heat transfer, mass transfer and chemical reactions. The CFD simulations of a turbulent bubbly flow are carried out in a cylindrical mixing tank using large eddy simulation (LES) and volume of fluid (VOF) method. The Rushton turbine induced flow is modeled by using a sliding mesh method. Numerical results are used to describe the bubbly flows in highly complex liquid flow. Some of the experimental works related to turbulent bubbly flow in a mixing tank are briefly reported. Numerical simulations are needed to complete and interpret the results of the experimental work. Information given by numerical simulations has a major role in designing and scaling-up mixing tanks. The results of this work have been reported in the following scientific articles: ·Honkanen M., Koohestany A., Hatunen T., Saarenrinne P., Zamankhan P., Large eddy simulations and PIV experiments of a two-phase air-water mixer, in Proceedings of ASME Fluids Engineering Summer Conference (2005). ·Honkanen M., Koohestany A., Hatunen T., Saarenrinne P., Zamankhan P., Dynamical States of Bubbling in an Aerated Stirring Tank, submitted to J. Computational Physics.

Advanced control methods for reducing nitrogen oxides in a fluidized bed boiler

Tämän työn tarkoituksena oli löytää keinoja erään leijukerroskattilan typenoksidipäästöjen vähentämiseksi. Koska päästöt olivat jo alunperin alhaiset leijukerrostekniikan ja hybridin SNCR/SCR –typenpoistolaitteiston ansiosta, päätettiin päästöjä lähteä vähentämään parantamalla ammoniakkiruiskutuksen säätöä. Alkuperäinen ammoniakkiruiskutuksen säätö oli liian hidas, jotta satunnaisten häiriöiden aiheuttamat typenoksidipiikit olisi pystytty poistamaan. Ammoniakkiruiskutusta parannettiin lisäämällä jokaiseen ammoniakkilinjaan mäntäpumput, joiden avulla ammoniakkia voidaan syöttää sinne, missä sitä eniten tarvitaan. Ammoniakkiruiskutuksen säätöön kehitettiin uusi sumeaan logiikkaan perustuva säätäjä. Myös muita kehittyneitä säätömenetelmiä kuten neuroverkkoa hyödynnettiin säätäjän kehityksessä. Ammoniakkiruiskutuksen säätäjää testattiin menestyksekkäästi Ruotsissa Brista Kraftin Märstassa sijaitsevalla voimalaitoksella

Combining Advanced Forecasting Methods with System Dynamics - the Case of Finnish Seaports

Seaports play an important part in the wellbeing of a nation. Many nations are highly dependent on foreign trade and most trade is done using sea vessels. This study is part of a larger research project, where a simulation model is required in order to create further analyses on Finnish macro logistical networks. The objective of this study is to create a system dynamic simulation model, which gives an accurate forecast for the development of demand of Finnish seaports up to 2030. The emphasis on this study is to show how it is possible to create a detailed harbor demand System Dynamic model with the help of statistical methods. The used forecasting methods were ARIMA (autoregressive integrated moving average) and regression models. The created simulation model gives a forecast with confidence intervals and allows studying different scenarios. The building process was found to be a useful one and the built model can be expanded to be more detailed. Required capacity for other parts of the Finnish logistical system could easily be included in the model.

Advanced chemometric methods: Applicability on industrial data

Recent years have produced great advances in the instrumentation technology. The amount of available data has been increasing due to the simplicity, speed and accuracy of current spectroscopic instruments. Most of these data are, however, meaningless without a proper analysis. This has been one of the reasons for the overgrowing success of multivariate handling of such data. Industrial data is commonly not designed data; in other words, there is no exact experimental design, but rather the data have been collected as a routine procedure during an industrial process. This makes certain demands on the multivariate modeling, as the selection of samples and variables can have an enormous effect. Common approaches in the modeling of industrial data are PCA (principal component analysis) and PLS (projection to latent structures or partial least squares) but there are also other methods that should be considered. The more advanced methods include multi block modeling and nonlinear modeling. In this thesis it is shown that the results of data analysis vary according to the modeling approach used, thus making the selection of the modeling approach dependent on the purpose of the model. If the model is intended to provide accurate predictions, the approach should be different than in the case where the purpose of modeling is mostly to obtain information about the variables and the process. For industrial applicability it is essential that the methods are robust and sufficiently simple to apply. In this way the methods and the results can be compared and an approach selected that is suitable for the intended purpose. Differences in data analysis methods are compared with data from different fields of industry in this thesis. In the first two papers, the multi block method is considered for data originating from the oil and fertilizer industries. The results are compared to those from PLS and priority PLS. The third paper considers applicability of multivariate models to process control for a reactive crystallization process. In the fourth paper, nonlinear modeling is examined with a data set from the oil industry. The response has a nonlinear relation to the descriptor matrix, and the results are compared between linear modeling, polynomial PLS and nonlinear modeling using nonlinear score vectors.

Brown algal phlorotannins: Improving and applying chemical methods

Phlorotannins are the least studied group of tannins and are found only in brown algae. Hitherto the roles of phlorotannins, e.g. in plant-herbivore interactions, have been studied by quantifying the total contents of the soluble phlorotannins with a variety of methods. Little attention has been given to either quantitative variation in cell-wall-bound and exuded phlorotannins or to qualitative variation in individual compounds. A quantification procedure was developed to measure the amount of cell-wall-bound phlorotannins. The quantification of soluble phlorotannins was adjusted for both large- and small-scale samples and used to estimate the amounts of exuded phlorotannins using bladder wrack (Fucus vesiculosus) as a model species. In addition, separation of individual soluble phlorotannins to produce a phlorotannin profile from the phenolic crude extract was achieved by high-performance liquid chromatography (HPLC). Along with these methodological studies, attention was focused on the factors in the procedure which generated variation in the yield of phlorotannins. The objective was to enhance the efficiency of the sample preparation procedure. To resolve the problem of rapid oxidation of phlorotannins in HPLC analyses, ascorbic acid was added to the extractant. The widely used colourimetric method was found to produce a variation in the yield that was dependent upon the pH and concentration of the sample. Using these developed, adjusted and modified methods, the phenotypic plasticity of phlorotannins was studied with respect to nutrient availability and herbivory. An increase in nutrients decreased the total amount of soluble phlorotannins but did not affect the cell-wall-bound phlorotannins, the exudation of phlorotannins or the phlorotannin profile achieved with HPLC. The presence of the snail Thedoxus fluviatilis on the thallus induced production of soluble phlorotannins, and grazing by the herbivorous isopod Idotea baltica increased the exudation of phlorotannins. To study whether the among-population variations in phlorotannin contents arise from the genetic divergence or from the plastic response of algae, or both, algae from separate populations were reared in a common garden. Genetic variation among local populations was found in both the phlorotannin profile and the content of total phlorotannins. Phlorotannins were also genetically variable within populations. This suggests that local algal populations have diverged in their contents of phlorotannins, and that they may respond to natural selection and evolve both quantitatively and qualitatively.

The application of cDNA and tissue microarray methods in the study of human carcinomas

Currently, numerous high-throughput technologies are available for the study of human carcinomas. In literature, many variations of these techniques have been described. The common denominator for these methodologies is the high amount of data obtained in a single experiment, in a short time period, and at a fairly low cost. However, these methods have also been described with several problems and limitations. The purpose of this study was to test the applicability of two selected high-throughput methods, cDNA and tissue microarrays (TMA), in cancer research. Two common human malignancies, breast and colorectal cancer, were used as examples. This thesis aims to present some practical considerations that need to be addressed when applying these techniques. cDNA microarrays were applied to screen aberrant gene expression in breast and colon cancers. Immunohistochemistry was used to validate the results and to evaluate the association of selected novel tumour markers with the outcome of the patients. The type of histological material used in immunohistochemistry was evaluated especially considering the applicability of whole tissue sections and different types of TMAs. Special attention was put on the methodological details in the cDNA microarray and TMA experiments. In conclusion, many potential tumour markers were identified in the cDNA microarray analyses. Immunohistochemistry could be applied to validate the observed gene expression changes of selected markers and to associate their expression change with patient outcome. In the current experiments, both TMAs and whole tissue sections could be used for this purpose. This study showed for the first time that securin and p120 catenin protein expression predict breast cancer outcome and the immunopositivity of carbonic anhydrase IX associates with the outcome of rectal cancer. The predictive value of these proteins was statistically evident also in multivariate analyses with up to a 13.1- fold risk for cancer specific death in a specific subgroup of patients.

Multidata inverse problems and Bayesian solution methods in astronomy

Statistical analyses of measurements that can be described by statistical models are of essence in astronomy and in scientific inquiry in general. The sensitivity of such analyses, modelling approaches, and the consequent predictions, is sometimes highly dependent on the exact techniques applied, and improvements therein can result in significantly better understanding of the observed system of interest. Particularly, optimising the sensitivity of statistical techniques in detecting the faint signatures of low-mass planets orbiting the nearby stars is, together with improvements in instrumentation, essential in estimating the properties of the population of such planets, and in the race to detect Earth-analogs, i.e. planets that could support liquid water and, perhaps, life on their surfaces. We review the developments in Bayesian statistical techniques applicable to detections planets orbiting nearby stars and astronomical data analysis problems in general. We also discuss these techniques and demonstrate their usefulness by using various examples and detailed descriptions of the respective mathematics involved. We demonstrate the practical aspects of Bayesian statistical techniques by describing several algorithms and numerical techniques, as well as theoretical constructions, in the estimation of model parameters and in hypothesis testing. We also apply these algorithms to Doppler measurements of nearby stars to show how they can be used in practice to obtain as much information from the noisy data as possible. Bayesian statistical techniques are powerful tools in analysing and interpreting noisy data and should be preferred in practice whenever computational limitations are not too restrictive.

Distribution network design and optimization

The objective of this thesis is to examine distribution network designs and modeling practices and create a framework to identify best possible distribution network structure for the case company. The main research question therefore is: How to optimize case company’s distribution network in terms of customer needs and costs? Theory chapters introduce the basic building blocks of the distribution network design and needed calculation methods and models. Framework for the distribution network projects was created based on the theory and the case study was carried out by following the defined framework. Distribution network calculations were based on the company’s sales plan for the years 2014 - 2020. Main conclusions and recommendations were that the new Asian business strategy requires high investments in logistics and the first step is to open new satellite DC in China as soon as possible to support sales and second possible step is to open regional DC in Asia within 2 - 4 years.

Potentiometric titration as a method of determining the stoichiometric dissociation constants of weak acids from the thermodynamic dissociation constants of aqueous solutions at 298.15 K

The simple single-ion activity coefficient equation originating from the Debye-Hückel theory was used to determine the thermodynamic and stoichiometric dissociation constants of weak acids from data concerning galvanic cells. Electromotive force data from galvanic cells without liquid junctions, which was obtained from literature, was studied in conjuction with the potentiometric titration data relating to aqueous solutions at 298.15 K. The dissociation constants of weak acids could be determined by the presented techniques and almost all the experimental data studied could be interpreted within the range of experimental error. Potentiometric titration has been used here and the calculation methods were developed to obtain the thermodynamic and stoichiometric dissociation constants of some weak acids in aqueous solutions at 298.15 K. The ionic strength of titrated solutions were adjusted using an inert electrolyte, namely, sodium or potassium chloride. Salt content alonedetermines the ionic strength. The ionic strength of the solutions studied varied from 0.059 mol kg-1 to 0.37 mol kg-1, and in some cases up to 1.0 mol kg-1. The following substances were investigated using potentiometric titration: aceticacid, propionic acid, L-aspartic acid, L-glutamic acid and bis(2,2-dimethyl-3-oxopropanol) amine.

CO2-päästötaseenhallinta terästeollisuudessa

Tämän diplomityön tavoitteena oli kehittää hiilidioksiditaseen hallintamenetelmää Rautaruukin toiminnoille päästökaupan olosuhteissa. Taseenhallintamenetelmä sisältää päästöjen laskennan sekä päästöoikeuksien hallintaan liittyviä asioita. EU:n laajuisen päästökaupan reunaehdot määrittelee päästökauppadirektiivi ja sen antama päästöjen seurantaa ja raportointia koskeva monitorointiohje. Työssä on tarkasteltu hiilidioksidipäästöhistoriaa ja laskentamenetelmiä niiden Rautaruukin toimipaikkojen kohdalta, joiden oletetaan kuuluvan EU:n päästökaupan piiriin. Toimipaikoista on tarkasteltu erityisesti Raahen ja Koverharin terästehtaita, sillä ne muodostavat merkittävimmän osuuden konsernin Suomen toimipaikkojen hiilidioksidipäästöistä. Muita tarkasteltavia toimipaikkoja ovat Hämeenlinnan ja Dalsbrukin valssaamot Suomessa, Smedjebackenin terästehdas ja Boxholmin valssaamo Ruotsissa, Mo i Ranan terästehdas ja Profilerin valssaamo Norjassa sekä Nedstaalin valssaamo Hollannissa. Kustannustehokkaan ja hallitun päästökaupankäynnin perustaksi yritystasolla tarvitaan päästötaseenhallintamenetelmä, jonka avulla voidaan määrittää syntyneet päästöt komission monitorointiohjeen vaatimalla tavalla, arvioida tulevia päästömääriä sekä hallita päästökaupankäyntiä. Päästökaupanhallintaan sisältyviä asioita ovat saadut ilmaiset päästöoikeudet, ostettavien tai myytävien oikeuksien määrä, kaupankäynnin ajankohta, päästöoikeuksien erilaiset hankintamahdollisuudet, päästöoikeuksien hinnanmuodostus ja riskienhallinta.

Ydinvoimalaitoksen höyryturbiinin suorituskyvyn laskenta

Diplomityön tavoitteena on selvittää Loviisan ydinvoimalaitoksen höyryturbiinin hyötysuhteen parantamismahdollisuuksia. Työn kuvaan liittyvät oleellisesti höyryturbiinin siipivyöhykkeiden nopeuskolmioiden sekä hyötysuhteiden laskenta. Höyryturbiinien kehityskaarta sekä turbiinin häviökerrointen laskentayhtälöitä on esitetty useasta eri lähteestä ja vuosikymmeniltä. Työssä selvitettiin uusimpia ydinvoimalaitosten kostea höyryturbiinien suunnitteluperusteita lukuisista eri lähteistä. Kaikkien lähteiden mukaan kostean höyryn alueella tapahtuvaa paisuntaa on haasteellista mallintaa. Työssä on esitelty artikkeleissa tulleita eri näkökulmia höyryturbiinien suorituskyvyn parantamiseksi, sekä rakenteellisia että laskennallisia. Työssä esitellään monia turbiinin virtauksen ja suorituskyvyn laskentamenetelmiä. Esimerkiksi Baumannin säännön laskenta on yksinkertainen tapa käsitellä turbiinin suorituskykyä kostean höyryn alueella. Keskeisimpiä tehtyjä havaintoja oli se, että korkeapaineturbiinin ensimmäisestä vaiheesta löytyi mahdollista parannuspotentiaalia Loviisaan ydinvoimalaitoksen tehon lisäämiseksi. Ensimmäisessä vaiheessa on oletettu siipien olevan Laval –tyyppisiä, mutta käytännössä näin ei ole. Korkeapaineturbiinin nykyisen turbosuuttimen toimintaa voitaisiin tehostaa. Lisäksi Loviisan matalapaineturbiinin viimeisen siipivaiheen jälkeen aiheutuu suuret ulosvirtaushäviöt. Osa suurinopeuksisen virtauksen energiasta pystyttäisiin kuitenkin hyödyntämään vielä ulosvirtauskanavassa olevalla diffuusorilla.

Application and development of numerical methods for the modelling of innovative gas cooled fission reactors

Innovative gas cooled reactors, such as the pebble bed reactor (PBR) and the gas cooled fast reactor (GFR) offer higher efficiency and new application areas for nuclear energy. Numerical methods were applied and developed to analyse the specific features of these reactor types with fully three dimensional calculation models. In the first part of this thesis, discrete element method (DEM) was used for a physically realistic modelling of the packing of fuel pebbles in PBR geometries and methods were developed for utilising the DEM results in subsequent reactor physics and thermal-hydraulics calculations. In the second part, the flow and heat transfer for a single gas cooled fuel rod of a GFR were investigated with computational fluid dynamics (CFD) methods. An in-house DEM implementation was validated and used for packing simulations, in which the effect of several parameters on the resulting average packing density was investigated. The restitution coefficient was found out to have the most significant effect. The results can be utilised in further work to obtain a pebble bed with a specific packing density. The packing structures of selected pebble beds were also analysed in detail and local variations in the packing density were observed, which should be taken into account especially in the reactor core thermal-hydraulic analyses. Two open source DEM codes were used to produce stochastic pebble bed configurations to add realism and improve the accuracy of criticality calculations performed with the Monte Carlo reactor physics code Serpent. Russian ASTRA criticality experiments were calculated. Pebble beds corresponding to the experimental specifications within measurement uncertainties were produced in DEM simulations and successfully exported into the subsequent reactor physics analysis. With the developed approach, two typical issues in Monte Carlo reactor physics calculations of pebble bed geometries were avoided. A novel method was developed and implemented as a MATLAB code to calculate porosities in the cells of a CFD calculation mesh constructed over a pebble bed obtained from DEM simulations. The code was further developed to distribute power and temperature data accurately between discrete based reactor physics and continuum based thermal-hydraulics models to enable coupled reactor core calculations. The developed method was also found useful for analysing sphere packings in general. CFD calculations were performed to investigate the pressure losses and heat transfer in three dimensional air cooled smooth and rib roughened rod geometries, housed inside a hexagonal flow channel representing a sub-channel of a single fuel rod of a GFR. The CFD geometry represented the test section of the L-STAR experimental facility at Karlsruhe Institute of Technology and the calculation results were compared to the corresponding experimental results. Knowledge was gained of the adequacy of various turbulence models and of the modelling requirements and issues related to the specific application. The obtained pressure loss results were in a relatively good agreement with the experimental data. Heat transfer in the smooth rod geometry was somewhat under predicted, which can partly be explained by unaccounted heat losses and uncertainties. In the rib roughened geometry heat transfer was severely under predicted by the used realisable k − epsilon turbulence model. An additional calculation with a v2 − f turbulence model showed significant improvement in the heat transfer results, which is most likely due to the better performance of the model in separated flow problems. Further investigations are suggested before using CFD to make conclusions of the heat transfer performance of rib roughened GFR fuel rod geometries. It is suggested that the viewpoints of numerical modelling are included in the planning of experiments to ease the challenging model construction and simulations and to avoid introducing additional sources of uncertainties. To facilitate the use of advanced calculation approaches, multi-physical aspects in experiments should also be considered and documented in a reasonable detail.

Description and implementation of cut calculation-method in a sawmill

Työn tavoitteena oli kuvata ja ottaa käyttöön sahauseräkohtaisen kannattavuuden laskentamenetelmä sahalle, sekä tehdä laskentamalli menetelmän tueksi. Sahauksen peruskäsitteiden jälkeen työssä on esitelty sahan tuotantoprosessi. Tuotantoprosessi on kuvattu kirjallisuuden ja asiantuntijoiden haastattelujen perusteella. Seuraavaksi kartoitettiin hyötyjä ja vaikutuksia, mitä laskentamenetelmältä odotetaan.. Kustannuslaskennan teoriaa selvitettiin kirjallisuuslähteitä käyttäen silmälläpitäen juuri tätä kehitettävää laskentamenetelmää. Lisäksi esiteltiin Uimaharjun sahalla käytettävät ja laskentaan liittyvät laskenta- ja tietojärjestelmät.Nykyisin sahalla ei ole minkäänlaista menetelmää sahauseräkohtaisen tuloksen laskemiseksi. Pienillä muutoksilla sahan tietojärjestelmään ja prosessikoneisiin voidaan sahauserä kuljettaa prosessin läpi niin, että jokaisessa prosessin vaiheessa sille saadaan kohdistettua tuotantotietoa. Eri vaiheista saatua tietoa käyttämällä saadaan tarkasti määritettyä tuotteet, joita sahauserä tuotti ja paljonko tuotantoresursseja tuottamiseen kului. Laskentamalliin syötetään tuotantotietoja ja kustannustietoa ja saadaan vastaukseksi sahauserän taloudellinen tulos.Toimenpide ehdotuksena esitetään lisätutkimusta tuotantotietojen automaattisesta keräämisestä manuaalisen työn ja virheiden poistamiseksi. Suhteellisen pienillä panoksilla voidaan jokaiselle sahauserälle kerätä tuotantotiedot täysin automaattisesti. Lisäksi kehittämäni laskentamallin tilalle tulisi hankkia sovellus, joka käyttäisi paremmin hyväksi nykyisiä tietojärjestelmiä ja poistaisi manuaalisen työvaiheen laskennassa.