Constantes de acidez de ácidos dipróticos a partir de titulações potenciométricas: ilustração dos princípios do cálculo através da construção de um algoritmo muito simples

This work describes the creation of an very simple calculation algorithm, based in basic chemical and mathematic principles, for the calculation of weak diprotic acid dissociation constants as, for example, amino acids, from potentiometric titrations. For an easier understanding of the algorithm the logical reasoning of this calculus is schematized in a diagram of blocks. In the second part of the work the algorithm is applied to an Excel calculation sheet to determine the dissociation constants of Nicotinic Acid and Glycine, from the respective potentiometric titration curves. The values obtained using this algorithm are compared with those estimated by Hyperquad2008 (program generally used for this type of calculus) and also with the values of a stability constants database.

Improving the solubility of the antichagasic drug benznidazole through formation of inclusion complexes with cyclodextrins

This study describes unpublished research on improving the solubility of benznidazole by the formation of an inclusion complex. The cyclodextrins selected were αCD, βCD, γCD, HPβCD, RMβCD and SBβCD. All complexes were obtained in solution, presenting 1:1 stoichiometry according to the phase solubility diagram. The highest association constants were obtained with RMβCD and SBβCD, being selected for attainment of solid state complexes. These were characterized using XRD, SEM and dissolution test. The data obtained suggest the formation of complexes and indicate that these may provide a promising alternative way of developing solid doses of drug with suitable biopharmaceutical properties.

Eletrocromismo: fundamentos e a aplicação de nanomateriais no desenvolvimento de eletrodos de alto desempenho

This review deals with the basis and novel trends in electrochromism, describing the basic aspects and methodologies employed for the construction and analyses of different modified electrodes. The work presents the classic materials used for the construction of electrochromic electrodes, such as WO3 and a view on the basic concepts of chromaticity as a useful approach for analyzing colorimetric results. The report also addresses how the incorporation of nanomaterials and the consequent novel modification of electrodes have furthered this area of science, producing electrochromic electrodes with high performance, high efficiency and low response times.

Uso de diagrama V modificado como relatório em aulas teórico-práticas de química geral

In this article, we present data from a study in practical classes for General Chemistry. To this end, it was proposed to use a modified V diagram to replace traditional reporting. These reports consist of material commonly prepared in the subject, including introduction, materials and methods, results and discussion and conclusions. From the preparation of the modified V, the students were able to establish relationships between the theoretical and methodological aspects necessary for understanding the objects and events studied. Thus, student learning can be evaluated in light of the Theory of Meaningful Learning.

DESENVOLVIMENTO DE UMA TÉCNICA ULTRASSÔNICA PARA AVALIAR TEORES DE ÓLEO E GRAXA EM EFLUENTES DE BIOCOMBUSTÍVEIS

Ultrasound as a metrology tool has many applications in health care, industrial, and chemical analyses. Ultrasonic techniques are rapid, low-cost, non-invasive, and highly repeatable. Although ultrasound can be used to measure emulsions, no effort had been made thus far to optimize its sensitivity for metrological analysis. In this work, a technique for analyzing oil in water was validated. The wave velocity and attenuation were chosen as the ultrasonic parameters. The technique was implemented in the boundary region established by law for effluents from industrial plants involved with biofuel manufacturing. A technical effort of this study was to establish stable emulsions in concentrations close to the desired limit of study. The phase behaviours of pseudo-ternary oil, sodium chloride, and sodium lauryl sulphate were studied. The composition in the widest region of the diagram allowed for the formation of a stable emulsion, from which the ultrasound measurement was carried out. An analytical curve was obtained using ultrasonic attenuation to determine the content of oils and greases in wastewater ranging 15–240 ppm. The speed of sound did not appear to be an applicable parameter for this application. The technique was demonstrated to be an important alternative solution for the continuous monitoring of wastewater with regard to oil concentrations.

Resultados científicos do cruzeiro do Baependi e do Vega à Ilha da Trindade: oceanografia física - contribuição para o conhecimento das características físicas e químicas das águas

In May 1950 a trip was undertaken by the ships "Baependi" and "Vega" to the Trindade Island - 20º30'S and 29º20'W - Approximately 1200 km off the coast of Espirito Santo State. This scientific expedition was realized by the iniciative of the Minister J. A. Lins de Barros. In this expedition the supervisor of the oceanographic works was Prof. W. Besnard, the director of the São Paulo Oceanographic Institute. He brougth home 42 samples of water for study, collected upon the insular terrace of the island, referring to the 15 established stations - see table I - with depths varying between 0 m and 115 m. The physical and chemical properties of them are to be seen on table II. The results obtained were compared with those of the German Expedition to the South Atlantic, 1925/27 ("Meteor"), observed at the stations 157-158-159-163 of profile VI and 168-169-170 of profile VII. The mean results obtaneid by the boats "Baependi" and "Vega" are represented on table IV. We constructed vertical sections - I to VI - of each group of Stations, showing the slope of the insular shelves and, in a general manner, the distribution of salinity. We made also longitudinal section - E, M, I - involving the island and corresponding, respectively, to the groups of stations, the farthest, nearest and intermediary ones. As the number of samples received is reduced and consequently the data obtained are few, no conclusions could be deduced. We made only a commentary supposing that the predominating waters surrounding the island are the same as those coming from the mentioned stations on Profile VI, marked by the "Meteor". No indication authorizes the supposition that waters of the Brazil Current or those of Profile VII of the "Meteor" reach the Trindade Island. On the contrary, its waters must be warm and salted to which Albert Defant (Die Troposphaere, Wiss. Erg. D. Atl. Exp. "Meteor" Band VI, 1 Tel Lief. 3, Berlin, 1936) has referred, as the island is located very near to the limits of the perspective diagram of warm water circulation pointed out. (Kieler Meeresforschungen, Inst. Meereskunde, Universit. Kiel, Band VII, Heft 1, S 24, 1950).

Pk-yrityksen layout-suunnittelu ohutlevytuoteteollisuudessa

Diplomityössä käsitellään omistajanvaihdon myötä tapahtuvaa yritysten yhdentymistä pkt- sektorilla. Tutkimuksen tarkoituksena oli suunnitella layout uuteen halliin sekä suunnitella muuttoprosessi kokonaisuudessaan. Tutkimuksessa käsiteltiin koneiden siirron lisäksi myös yritysten yhdentymistä ja yritysfuusiota. Ratkaisumalleja haettiin kirjallisuudesta, tuotannon seuraamisesta ja edellisistä muutoista syntyneistä kokemuksista. Työn aikana kartoitettiin yritysten nykytilanne ja etsittiin siellä olevat parantamista vaativat kohdat. Lisäksi selvitettiin yritysten tuotanto layout -suunnittelua varten. Layoutin tekemisen runkona käytettiin Mutherin -layoutkaaviota. Tietojen pohjalta tehtiin kolme erillistä mallia, joista hyötyarvomatriisia hyväksi käyttäen valittiin yksi. Lisäksi yritysten yhdentymisen työkirjan avulla tehtiin lista tarvittavista toimenpiteistä ennen muuttoa sekä muuton jälkeen. Tutkimuksessa käsiteltiin myös yrityksen ohjelmainvestointeja sekä levytyökeskuksen että laserleikkauskoneen nestaukseen. Lisäksi työssä käsiteltiin myös uusia koneinvestointeja ja uutta organisaatiokaaviota.

Membrane emulsification in preparation of single site catalyst

In the theory part the membrane emulsification was studied. Emulsions are used in many industrial areas. Traditionally emulsions are prepared by using high shear in rotor-stator systems or in high pressure homogenizer systems. In membrane emulsification two immiscible liquids are mixed by pressuring one liquid through the membrane into the other liquid. With this technique energy could be saved, more homogeneous droplets could be formed and the amount of surfactant could be decreased. Ziegler-Natta and single-site catalysts are used in olefin polymerization processes. Nowadays, these catalysts are prepared according to traditional mixing emulsification. More homogeneous catalyst particles that have narrower particle size distribution might be prepared with membrane emulsification. The aim of the experimental part was to examine the possibility to prepare single site polypropylene catalyst using membrane emulsification technique. Different membrane materials and solidification techniques of the emulsion were examined. Also the toluene-PFC phase diagram was successfully measured during this thesis work. This phase diagram was used for process optimization. The polytetrafluoroethylene membranes had the largest contact angles with toluene and also the biggest difference between the contact angles measured with PFC and toluene. Despite of the contact angle measurement results no significant difference was noticed between particles prepared using PTFE membrane or metal sinter. The particle size distributions of catalyst prepared in these tests were quite wide. This would probably be fixed by using a membrane with a more homogeneous pore size distribution. It is also possible that the solidification rate has an effect on the particle sizes and particle morphology. When polymeric membranes are compared PTFE is probably still the best material for the process as it had the best chemical durability.

Tool-supported invariant-based programming

The development of correct programs is a core problem in computer science. Although formal verification methods for establishing correctness with mathematical rigor are available, programmers often find these difficult to put into practice. One hurdle is deriving the loop invariants and proving that the code maintains them. So called correct-by-construction methods aim to alleviate this issue by integrating verification into the programming workflow. Invariant-based programming is a practical correct-by-construction method in which the programmer first establishes the invariant structure, and then incrementally extends the program in steps of adding code and proving after each addition that the code is consistent with the invariants. In this way, the program is kept internally consistent throughout its development, and the construction of the correctness arguments (proofs) becomes an integral part of the programming workflow. A characteristic of the approach is that programs are described as invariant diagrams, a graphical notation similar to the state charts familiar to programmers. Invariant-based programming is a new method that has not been evaluated in large scale studies yet. The most important prerequisite for feasibility on a larger scale is a high degree of automation. The goal of the Socos project has been to build tools to assist the construction and verification of programs using the method. This thesis describes the implementation and evaluation of a prototype tool in the context of the Socos project. The tool supports the drawing of the diagrams, automatic derivation and discharging of verification conditions, and interactive proofs. It is used to develop programs that are correct by construction. The tool consists of a diagrammatic environment connected to a verification condition generator and an existing state-of-the-art theorem prover. Its core is a semantics for translating diagrams into verification conditions, which are sent to the underlying theorem prover. We describe a concrete method for 1) deriving sufficient conditions for total correctness of an invariant diagram; 2) sending the conditions to the theorem prover for simplification; and 3) reporting the results of the simplification to the programmer in a way that is consistent with the invariantbased programming workflow and that allows errors in the program specification to be efficiently detected. The tool uses an efficient automatic proof strategy to prove as many conditions as possible automatically and lets the remaining conditions be proved interactively. The tool is based on the verification system PVS and i uses the SMT (Satisfiability Modulo Theories) solver Yices as a catch-all decision procedure. Conditions that were not discharged automatically may be proved interactively using the PVS proof assistant. The programming workflow is very similar to the process by which a mathematical theory is developed inside a computer supported theorem prover environment such as PVS. The programmer reduces a large verification problem with the aid of the tool into a set of smaller problems (lemmas), and he can substantially improve the degree of proof automation by developing specialized background theories and proof strategies to support the specification and verification of a specific class of programs. We demonstrate this workflow by describing in detail the construction of a verified sorting algorithm. Tool-supported verification often has little to no presence in computer science (CS) curricula. Furthermore, program verification is frequently introduced as an advanced and purely theoretical topic that is not connected to the workflow taught in the early and practically oriented programming courses. Our hypothesis is that verification could be introduced early in the CS education, and that verification tools could be used in the classroom to support the teaching of formal methods. A prototype of Socos has been used in a course at Åbo Akademi University targeted at first and second year undergraduate students. We evaluate the use of Socos in the course as part of a case study carried out in 2007.

Lujasta rakenneteräksestä tehdyn rakenteen vikasietoisuuden määritys

Tässä työssä tutkittiin Ruukin valmistamista lujista Optim 700 MC Plus sekä Optim 700 QL teräksistä tehtyjen hitsattujen palkkirakenteiden vikasietoisuutta sekä murtumiskäyttäytymistä laboratoriossa suoritettujen täyden mittakaavan kokeiden avulla. Koerakenteet suunniteltiin siten, että rakenteen kylmämuovauksen sekä hitsauksen vaikutukset yhdessä rakenteen geometrian vaikutuksen kanssa heikentävät rakenteen murtumissitkeyttä rakenteeseen tehdyn teräväkärkisen alkusärön tasossa. Suunnitellussa koesarjassa varioidaan testauslämpötilan lisäksi hitsauksen lämmöntuontia sekä koerakenteeseen tehtävän alkusärön kokoa. Tässä työssä tavoitteena oli yleisesti esittää menettely hitsatun säröllisen teräsrakenteen kestävyyden arviointia varten. Optim 700 MC Plus teräksestä tehdyn koerakenteen käyttäytymistä tutkittiin laskennallisesti murtumismekaniikan avulla. Laadittujen FEM - mallien avulla laskettiin rakenteen murtumisparametrien arvot kummallekin tutkittavalle teräkselle. Optim 700 MC Plus materiaalista valmistetuille koerakenteen säröalueen rakennedetaljia vastaavalle koekappaleille suoritettiin murtumissitkeyskokeita. Murtumissitkeyskokeista saatujen tulosten avulla pystyttiin kuvaamaan täyden mittakaavan koerakenteessa olevan särön murtumiskäyttäytymistä mitoitusmenetelmissä. Koerakenteelle laskettiin tässä työssä kriittisen särökoon ja sitä vastaavan kuorman arvot perustuen rakenteen oletettuun hauraaseen, epästabiiliin sitkeään sekä plastiseen murtumiskäyttäytymiseen. Tässä työssä testattiin molemmista tutkittavista materiaaleista valmistetut täyden mittakaavan koerakenteet -40 °C lämpötilassa. Molemmat testatut rakenteet käyttäytyvät mitattujen siirtymätulosten perusteella melko hauraasti. Optim 700 MC Plus materiaalille saatujen laskentatulosten voidaan todeta testatun koekappaleen perusteella soveltuvan hauraasti käyttäytyvän rakenteen mitoitukseen.

Kestomagneettikoneen roottorin väsymisanalyysi

Työn tavoitteena oli luoda työkalu kestomagneettikoneiden roottoreiden väsymisen analysointia varten. Työkalu toteutettiin siten, että siihen voidaan liittää oikeasta koneesta mitattu kuormitusdata, sekä tarvittavat materiaalitiedot. Kuormitusdata muunnetaan työkalussa jännityshistoriaksi käyttämällä elementtimenetelmän avulla laskettavaa skaalauskerrointa. Kestoiän laskemiseen analyysityökalu käyttää jännitykseen perustuvaa menetelmää sekä rainflowmenetelmää ja Palmgren-Minerin kumulatiivista vauriosääntöä. Lisäksi työkalu tekee tutkittavalle tapaukselle Smithin väsymislujuuspiirroksen. Edellä mainittujen menetelmien lisäksi työn teoriaosassa esiteltiin väsymisanalyysimenetelmistä myös paikalliseen venymään perustuva menetelmä sekä murtumismekaniikka. Nämä menetelmät jäivät monimutkaisuutensa vuoksi toteuttamatta työkalussa. Väsymisanalyysityökalulla laskettiin kestoiät kahdelle esimerkkitapaukselle. Kummassakin tapauksessa saatiin tulokseksi ääretön kestoikä, mutta aksiaalivuokoneen roottorin dynaaminen varmuus oli pieni. Vaikka tulokset vaikuttavat järkeviltä, ne olisi vielä hyvä verifioida esimerkiksi kaupallisen ohjelmiston avulla täyden varmuuden saamiseksi.

Field Weakening, Parameters and Operation Range of the Permanent Magnet Traction Motors

The main focus of this thesis is to define the field weakening point of permanent magnet synchronous machine with embedded magnets in traction applications. Along with the thesis a modelling program is made to help the designer to define the field weakening point in practical applications. The thesis utilizes the equations based on the current angle. These equations can be derived from the vector diagram of permanent magnet synchronous machine. The design parameters of the machine are: The maximum rotational speed, saliency ratio, maximum induced voltage and characteristic current. The main result of the thesis is finding out the rated rotational speed, from which the field weakening starts. The action of the machine is estimated at a wide speed range and the changes of machine parameters are examined.

Hitsausvirtalähteen ohjaus lämmöntuonnin ja jatkuvan jäähtymisen S-käyrän perusteella

Lämmöntuonnilla on oleellinen vaikutus hitsausliitoksen ominaisuuksiin, koska se vaikuttaa liitoksen jäähtymisnopeuteen, jolla on puolestaan suuri vaikutus jäähtymisessä syntyviin mikrorakenteisiin. Jatkuvan jäähtymisen S-käyrältä voidaan ennustaa hitsausliitokseen syntyvät mikrorakenteet. S-käyrät voidaan laatia hitsausolosuhteiden mukaisesti, jolloin faasimuutoskäyttäytyminen sularajalla saadaan selvitettyä. Tämän diplomityön tavoitteena oli kehittää hitsausvirtalähteen ohjaustapaa lämmöntuontiin ja jatkuvan jäähtymisen S-käyriin perustuen. Jatkuvan jäähtymisen S-käyrillä ja lämmöntuontiin perustuvalla hitsausparametrien säädöllä on yhteys. Työssä tutkittiin, miten haluttuun jäähtymisnopeuteen johtava lämmöntuonti voidaan määrittää S-käyrälle luotettavasti. Työssä perehdyttiin jatkuvan jäähtymisen S-käyriin ja eri jäähtymisnopeuksilla hitsausliitokseen syntyviin mikrorakenteisiin sekä hitsaus-inverttereiden ohjaus- ja säätötekniikkaan. Teoriaosuuden jälkeen tarkasteltiin eri vaihtoehtoja, miten hitsattavan materiaalin koostumusvaihtelut sekä lämmöntuontiin vaikuttavat tekijät voidaan ottaa huomioon virtalähteen ohjauksessa lämmöntuonnin perusteella. S-käyrältä määritettyjen lämmöntuonnin arvojen perusteella tehtiin kahdet koehitsaukset, joissa käytettiin kolmea eri aineenpaksuutta. Tulosten perusteella arvioitiin lämmöntuonnin arvojen toimivuutta käytännössä ja tutkittiin liitokseen syntyviä mikrorakenteita. Tutkimuksen pohjalta esitettiin jatkokehitystoimenpiteitä, joiden mukaan voidaan edetä lämmöntuontiin perustuvan säätöjärjestelmän kehitysprojektissa.

Communicative and Anticipatory Decision-Making Supported by Bayesian Networks

The purpose of this research is to draw up a clear construction of an anticipatory communicative decision-making process and a successful implementation of a Bayesian application that can be used as an anticipatory communicative decision-making support system. This study is a decision-oriented and constructive research project, and it includes examples of simulated situations. As a basis for further methodological discussion about different approaches to management research, in this research, a decision-oriented approach is used, which is based on mathematics and logic, and it is intended to develop problem solving methods. The approach is theoretical and characteristic of normative management science research. Also, the approach of this study is constructive. An essential part of the constructive approach is to tie the problem to its solution with theoretical knowledge. Firstly, the basic definitions and behaviours of an anticipatory management and managerial communication are provided. These descriptions include discussions of the research environment and formed management processes. These issues define and explain the background to further research. Secondly, it is processed to managerial communication and anticipatory decision-making based on preparation, problem solution, and solution search, which are also related to risk management analysis. After that, a solution to the decision-making support application is formed, using four different Bayesian methods, as follows: the Bayesian network, the influence diagram, the qualitative probabilistic network, and the time critical dynamic network. The purpose of the discussion is not to discuss different theories but to explain the theories which are being implemented. Finally, an application of Bayesian networks to the research problem is presented. The usefulness of the prepared model in examining a problem and the represented results of research is shown. The theoretical contribution includes definitions and a model of anticipatory decision-making. The main theoretical contribution of this study has been to develop a process for anticipatory decision-making that includes management with communication, problem-solving, and the improvement of knowledge. The practical contribution includes a Bayesian Decision Support Model, which is based on Bayesian influenced diagrams. The main contributions of this research are two developed processes, one for anticipatory decision-making, and the other to produce a model of a Bayesian network for anticipatory decision-making. In summary, this research contributes to decision-making support by being one of the few publicly available academic descriptions of the anticipatory decision support system, by representing a Bayesian model that is grounded on firm theoretical discussion, by publishing algorithms suitable for decision-making support, and by defining the idea of anticipatory decision-making for a parallel version. Finally, according to the results of research, an analysis of anticipatory management for planned decision-making is presented, which is based on observation of environment, analysis of weak signals, and alternatives to creative problem solving and communication.

Color change and quality response of ‘lane late’ orange submitted to degreening process

This study aimed at evaluating the effects of ethylene on peel color and compositional changes in ‘Lane late’ orange stored under refrigerated and ambient conditions. Physiologically mature, but green-peeled, oranges were exposed to ethylene gas under room temperature and high relative humidity for 24 hours. Storage chamber was ventilated with fresh air after 12 hours to mitigate consequences derived from fruit respiration. Both nondestructive analysis, such as peel color (hue angle, chromaticity, and brightness) and weight loss, and destructive ones (soluble solids, titratable acidity, pH, soluble solids to acidity ratio, and puncture force) were performed upon harvest, after degreening, and every three days during eighteen days in storage. Experiment was carried out using an entirely randomized design with thirty replications for nondestructive and four replications for destructive analyses, in a split plot scheme. Exposure to ethylene ensured a golden yellow peel for both fruit stored under ambient and refrigerated conditions. High relative humidity, associated with low temperature prevented fruit from losing moisture. Fruit exposure to ethylene did not affect weight loss, soluble solids, titratable acidity, pH, soluble solids, acidity ratio, or puncture force.