Coolant Flow and Heat Transfer in Pebble-Bed Reactor Core

This thesis gathers knowledge about ongoing high-temperature reactor projects around the world. Methods for calculating coolant flow and heat transfer inside a pebble-bed reactor core are also developed. The thesis begins with the introduction of high-temperature reactors including the current state of the technology. Process heat applications that could use the heat from a high-temperature reactor are also introduced. A suitable reactor design with data available in literature is selected for the calculation part of the thesis. Commercial computational fluid dynamics software Fluent is used for the calculations. The pebble-bed is approximated as a packed-bed, which causes sink terms to the momentum equations of the gas flowing through it. A position dependent value is used for the packing fraction. Two different models are used to calculate heat transfer. First a local thermal equilibrium is assumed between the gas and solid phases and a single energy equation is used. In the second approach, separate energy equations are used for the phases. Information about steady state flow behavior, pressure loss, and temperature distribution in the core is obtained as results of the calculations. The effect of inlet mass flow rate to pressure loss is also investigated. Data found in literature and the results correspond each other quite well, considered the amount of simplifications in the calculations. The models developed in this thesis can be used to solve coolant flow and heat transfer in a pebble-bed reactor, although additional development and model validation is needed for better accuracy and reliability.

Tendências evolutivas de famílias produtoras de cumarinas em angiospermae

Coumarins are special metabolites well distributed in the Angiospermae, either in Monocotyledoneae or Dicotyledoneae. Simple coumarins, the most widespread type, is found in all coumarin-producing families, such as: Apiaceae, Rutaceae, Asteraceae, Fabaceae, Oleaceae, Moraceae e Thymelaeaceae. The other types, linear- and angular furanocoumarins, linear- and angular pyranocoumarins, lignocoumarins, bis- and triscoumarins, are of more restricted circumscription. Among the families with occurrence numbers (NO) > 100, the more advanced ones are specialized in the production of only one or two coumarin types, while the primitive families are very well diversified in types. Calculations of percentual numbers of occurrence (%NO) show relevant meaning of coumarin-types in the taxonomic positioning of the producing taxa.

Fenestra Oy:n tuotekustannuslaskennan kehittäminen – Case oviteollisuus

Kilpailluilla markkinoilla menestyäkseen yrityksen tulee tuntea oman tuotannon kustannusrakenne. Yrityksen täytyy menestyäkseen tarjota asiakkaalle yksilöllisiä tuotteita kilpailukykyiseen hintaan. Tämä aiheuttaa haasteita tuotannolle, mutta myös tuotekustannuslaskennalle; perinteisin tuotekustannuslaskentamenetelmin ei enää pystytä huomioimaan laajan tuotevalikoiman tuotteiden valmistuksen eroavaisuuksia. Tämän diplomityön tarkoituksena on selvittää Fenestra Oy:n tuotekustannuslaskentakäytäntöjen soveltuvuus nykyhetkeen. Vertailukohdaksi työssä määritellään vaihtoehtoinen laskentamalli tuotekustannusten laskemiseksi. Uuden laskentamallin soveltuvuutta käytäntöön tutkitaan esimerkkilaskelmin, joiden tuloksia verrataan Fenestra Oy:n nykyisen laskennan tuloksiin. Laskentamallilla aikaansaadut tulokset poikkeavat Fenestra Oy:n nykyisestä laskennasta ennakoidulla tavalla; perinteisin menetelmin valmistukseltaan yksinkertaisille tuotteille kohdistuu liikaa kustannuksia ja monimutkaisille liian vähän. Laadittu laskentamalli on diplomityön laajuuden puitteessa varsin yksinkertainen, mutta suuntaa-antava. Jatkokehityskohteena laskennan kehittämiseksi tuotannosta tulisi alkaa kerätä tarkemmin tietoa ja materiaalikäytön osalta tarkkaa hukkaselvitystä.

Reliability analysis of medium voltage feeder

Distribution companies are facing numerous challenges in the near future. Regulation defines correlation between power quality and revenue cap. Companies have to take measures for reliability increase to successfully compete in modern conditions. Most of the failures seen by customers originate in medium voltage networks. Implementation of network automation is the very effective measure to reduce duration and number of outages, and consequently, outage costs. Topic of this diploma work is study of automation investments effect on outage costs and other reliability indices. Calculation model have been made to perform needed reliability calculations. Theoretical study of different automation scenarios has been done. Case feeder from actual distribution company has been studied and various renovation plans have been suggested. Network automation proved to be effective measure for increasing medium voltage network reliability.

Robottihitsauksen kokonaisvaltainen tehostaminen

Diplomityö on osa KaskiTec 2010 projektia. Työn tavoitteena oli tehostaa Lametal Oy:n hitsausrobotin käyttöä. Tehostamisella pyrittiin robotin käyttöasteen ja tuottavuuden kohottamiseen ja sitä kautta parantamaan investoinnin kannattavuutta. Työ on jaettu teoriaosaan ja soveltavaan osaan. Teoriaosassa käsitellään yleisesti robottihitsausta ja hitsauksen tuottavuutta. Lähdeaineistona on käytetty alan kirjallisuutta. Soveltavassa osassa käsitellään työn käytännön osuutta yrityksessä. Työn alkuvaiheessa kartoitettiin yrityksen lähtötilanne, selvitettiin pahimmat ongelmakohdat ja etsittiin ongelmiin parannuskeinoja. Tutkimusmenetelminä yrityksessä käytettiin havainnointia, henkilöhaastatteluita sekä tilastollisia ja laskennallisia menetelmiä. Seurattavaksi valittiin tuottavuuden tunnuslukuja, joiden perusteella voitiin arvioida tehostamistoimenpiteiden vaikutuksia. Yrityksessä kartoitettujen ongelmien perusteella ryhdyttiin nostamaan robotin käyttöastetta, kehittämään tuotannonohjausta, robotin materiaalivirtoja ja layoutia. Käyttöastetta nostettiin viemällä robotille uusia hitsattavia tuotteita. Työssä selvitettiin yrityksessä jo olemassa oleva tuotannonohjausjärjestelmän soveltuvuus hitsausrobotin ohjaukseen. Materiaalivirtojen sujuvuutta ja layoutia kehitettiin yhdessä muiden KaskiTec- projektin osapuolten kanssa.

Dirhamnosyl flavonoid and other constituents from Brillantaisia palisatii

A mixture containing sitosterol and stigmasterol; a new triterpene 3-epi-ursolic acid; another triterpene mixture comprising a-amyrin, b-amyrin and lupeol; verbascoside, a phenylpropanoid glycoside; and lespedin, a glycosyl flavonoid, were isolated. The less polar compounds (steroids and triterpenoids) were isolated from the hexane partition of the crude ethanolic extract while the more polar ones (phenylpropanoid glycoside and glycosyl flavonoid) were isolated from the ethyl acetate partition of the same extract. The structures of all compounds were established using modern spectrometric methods of elucidation. The spectroscopic data of Lespedin, a rare dirhamnosylflavonol with hypotensor activity and of the triterpene, 3-epi-ursolic acid, are also reported.

NMR investigation and theoretical calculations of the effect of solvent on the conformational analysis of 4',7-di-hydroxy-8-prenylflavan

The NMR conformational study of 4',7-di-hydroxy-8-prenylflavan 1 was carried out in acetone-d6, DMSO-d6 and CDCl3 which enabled the proposition of three conformations, namely 1a, 1b and 1c, differing in the position of the prenyl group. Geometry optimizations performed using AM1 method showed that 1a (deltaHf = -86.2 kcal/mol) is as stable as 1b (deltaHf = -85.1 kcal/mol) and 1c (deltaHf = -85.4 kcal/mol). When the solvent was included, the calculations showed that the solute-solvent interactions could be explained either in the light of the electronic intermolecular delocalization or the electrostatic character between solute and solvent. Theoretical calculations (HF/6-31G*, deltaFT/BLYP/6-31G*, and deltaFT/B3LYP/6-31G*) showed that the combination of these types of interactions present in each solute-solvent system, dependent on the chemical properties of the solvent, lead to different spatial arrangements of the prenyl group, which in turn determined the conformation of 1.

Propriedades eletrônicas e estruturais do PbTiO3: teoria do funcional de densidade aplicada a modelos periódicos

Calculations based on density functional theory at the B3LYP hybrid functional level applied to periodic models have been performed to characterize the structural and electronic properties of PbTiO3. Two different slab terminations (PbO and TiO2) have been considered to obtain and discuss the results of band structure, density of states, charge distribution on bulk and surface relaxation. It is observed that the relaxation processes are most prominent for the Ti and Pb surface atoms. The electron density maps confirm the partial covalent character of the Ti-O bonds. The calculated optical band gap and other results are in agreement with experimental data.

New approximation to the third-order density : application to the calculation of correlated multicenter indices

In this work we present the formulas for the calculation of exact three-center electron sharing indices (3c-ESI) and introduce two new approximate expressions for correlated wave functions. The 3c-ESI uses the third-order density, the diagonal of the third-order reduced density matrix, but the approximations suggested in this work only involve natural orbitals and occupancies. In addition, the first calculations of 3c-ESI using Valdemoro's, Nakatsuji's and Mazziotti's approximation for the third-order reduced density matrix are also presented for comparison. Our results on a test set of molecules, including 32 3c-ESI values, prove that the new approximation based on the cubic root of natural occupancies performs the best, yielding absolute errors below 0.07 and an average absolute error of 0.015. Furthemore, this approximation seems to be rather insensitive to the amount of electron correlation present in the system. This newly developed methodology provides a computational inexpensive method to calculate 3c-ESI from correlated wave functions and opens new avenues to approximate high-order reduced density matrices in other contexts, such as the contracted Schrödinger equation and the anti-Hermitian contracted Schrödinger equation

Vaasan Sähköverkko Oy:n keskijänniteverkon nykytilan määritys sekä kehittämissuunnitelma käyttövarmuuden näkökulmasta

Tämän työn tavoitteena on analysoida Vaasan Sähköverkko Oy:n keskijänniteverkon nykytila sekä selvittää verkon kehittämisen suuntaviivoja. Nykytilan määrityksessä selvitetään kuormitettavuusasteet, jännitteenalenemat, häviöt oiko- ja maasulkusuojauksen toimivuus sekä keskeytyskustannukset. Nykytilan määrityksen apuna käytettiin verkkotietojärjestelmä Xpowerin tehojako-, oikosulku- ja maasulkulaskentoja. Nykytila on määritetty sekä normaalissa kytkentätilanteessa, että tilanteessa jossa yksi sähköasema kerrallaan on poissa käytöstä. Nykytilan määrityksen perusteella voidaan todeta, että normaalissa kytkentätilanteessa keskijänniteverkko täyttää suurilta osin sille asetetut tekniset reunaehdot, jotka ovat jännitteenalenema, kuormitettavuus, oikosulkukestoisuus sekä oiko- ja maasulkusuojauksen havahtuvaisuus. Jotta reunaehdot toteutuisivat kokonaisuudessaan, tulee oikosulkukestottomien lähtöjen releasetteluja muuttaa tai vaihtaa oikosulkukestottomat johto-osuudet suurempi poikkipintaiseen johtimeen. Nykytilan määrityksen perusteella neljän päämuuntajan kuormitettavuusaste on yli 90 %, joten näiden asemien alueiden kehitystä tulee tarkkailla. Sähköasemien korvaustarkastelun perusteella viiden sähköaseman korvaus tuottaa ongelmia jo nykyisillä huippukuormilla. Työssä tehtyjen selvitystöiden perusteella Vaasan Sähköverkko Oy:n keskijänniteverkkoon lisättiin 10 maastokatkaisijaa sekä selvitettiin verkon mahdollisia tulevaisuuden kehittämisen suuntaviivoja.

Determinação experimental dos raios cristalográficos dos íons sódio e cloreto

This experiment, where very common materials and equipments are used, conducts to good and interesting results related to the ionic radii of sodium and chloride ions. It also offers an excellent opportunity to discuss the crystalline arrangement of solids and to apply simple mathematical tools for calculations. Other important concepts such as density, solubility and saturated solution are also used. The simplicity of the experiment creates an excellent opportunity for reasoning with the students about the technique.

Disseny d'una màquina carregadora de planxa a l'empresa Serralleria i Alumini Vilaró (S.A.V)

Les empreses sempre han buscat com optimitzar el màxim els seus recursos i ser més eficients a la hora de realitzar les tasques que li han estat encomanades. És per aquest motiu que constantment les empreses realitzen estudis i valoracions de com poder millorar dia a dia. Aquest fet no és diferenciador a l’empresa Serralleria i Alumini Vilaró (S.A.V), que dia a dia estudia com optimitzar els seus processos o de vegades introduir-ne de nous per tal d’expandir la seva oferta de serveis. L’empresa és dedica a la fabricació de peces metàl•liques el procés ja sigui només de tall i mecanitzat, plegat, soldadura, acabats en inoxidable, pintura i fins i tot embalatge pel que fa a la part productiva, respecte a la part d’oficina tècnica també ofereix serveis de desenvolupament de productes segons especificacions del client i reenginyeria de qualsevol producte, analitzant la part que és vol millorar. En l’actualitat l’empresa ha detectat una mancança que creu que es podria solucionar, el problema és que l’empresa disposa de varies màquines de tall, entre les quals hi ha una màquina de tall làser i el problema principal és que la càrrega de les planxes del calaix de magatzem a la bancada de la màquina es realitza o bé manualment o a través d’un gripper sostingut al pont grua, depenent del pes de la planxa a transportar. L’objectiu principal d’aquest treball és fer el disseny d’una màquina que permeti automatitzar el procés de transportar la planxa metàl•lica del calaix de magatzem dipositat sobre una taula mòbil a la bancada de la màquina de tall. El disseny que pretenem fer és complet començant per fer un disseny estructural de la màquina més els seus respectius càlculs, moviments que volem aconseguir, tria de components ( motors, sensors ...), elaboració d’un pressupost per poder fer una estimació i finalment la elaboració del programa de control de tota la màquina més la interacció amb la màquina a través d’una pantalla tàctil. Es a dir, el que pretenem és realitzar un projecte que puguem fabricar en la realitat utilitzant tota la informació continguda dins del mateix

Aplicação da química quântica computacional no estudo de processos químicos envolvidos em espectrometria de massas

The field of application of mass spectrometry (MS) has increased considerably due to the development of ionization techniques. Other factors that have stimulated the use of MS are the tandem mass spectrometry (MS/MS) and sequential mass spectrometry (MSn) techniques. However, the interpretation of the MS/MS and MSn data may lead to speculative conclusions. Thus, various quantum chemical methods have been applied for obtaining high quality thermochemical data in gas phase. In this review, we show some applications of computational quantum chemistry to understand the formation and fragmentation of gaseous ions of organic compounds in a MS analysis.

Austin, dehydroaustin and other metabolites from Penicillium brasilianum

A culture of P. brasilianum, isolated from soil collected at the Serra do Cipó National Park, in Minas Gerais State (Brazil), was grown for 25 days on a dextrose-peptone-salts medium. The corresponding ethylacetate extract was column chromatographed and four compounds were isolated: austin, dehydroaustin, D-mannitol and penicillic acid. This is, in the best of our knowledge, the first time that the meroterpenes austin and dehydroaustin have been isolated from this species. Activity of the extract and isolated compounds was tested against six bacteria and for acetylcholinesterase inhibition. Penicillic acid showed high activity in both tests.

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.