8 resultados para Synthesis models
em Doria (National Library of Finland DSpace Services) - National Library of Finland, Finland
Resumo:
Teoreettisen populaatiosynteesin avulla voidaan mallintaa tähtijoukkojen ja galaksien fotometrisiä ominaisuuksia yhdistämällä yksittäisten tähtien tuottama säteily, joka saadaan teoreettisista tähtien kehitysmalleista. Valitsemalla sopiva massajakauma syntyville tähdille voidaan muodostaa yksinkertainen tähtipopulaatio, joka koostuu saman ikäisistä ja kemialliselta koostumukseltaan yhtenäisistä tähdistä. Monimutkaisempia tähtipopulaatioita voidaan muodostaa konvoloimalla yksinkertaisten tähtipopulaatioiden luminositeetti jonkin valitun tähtienmuodostushistorian kanssa sekä yhdistämällä näin muodostettuja populaatioita. Tässä työssä tarkastellaan asymptoottisen jättiläishaaran (AGB) tähtien uusien, tarkentuneiden evoluutiomallien vaikutusta populaatiosynteesin tuloksiin niin yksinkertaisten tähtipopulaatioiden kuin galaksien mallinnukseen soveltuvien monimutkaisempien tähtipopulaatioiden kohdalla. Työn päätarkoitus on tuottaa uudistuneisiin malleihin perustuvat populaation massa-luminositeetti -suhteen ja värin väliset relaatiot (MLC-relaatiot). MLC-relaatioita voidaan käyttää populaation massan määrittämiseen sen fotometristen ominaisuuksien (väri, luminositeetti) perusteella. Lisäksi tutkitaan tähtienvälisen pölyn vaikutusta yksinkertaisen spiraaligalaksimallin MLC-relaatioihin. Työssä käytetyt tähtien kehitysmallit perustuvat julkaisuun Marigo et al. (Astronomy & Astrophysics 482, 2008). Havaitaan, että AGB-tähtien vaikutus populaation integroituun luminositeettiin on pieni näkyvillä aallonpituuksilla, mutta merkittävä lähi-infrapuna-alueella. Vaikutus MLC-relaatioihin on vastaavasti merkittävä tarkkailtaessa luminositeettia lähi-infrapunassa sekä käytettäessä värejä, joissa yhdistetään optisia ja lähi-infrapunan kaistoja. Todetaan, että MLC-relaatioiden käyttö lähi-infrapunassa edellyttää tarkentuneen AGB-vaiheen sisällyttämistä populaatiosynteesin malleihin. Tähtienvälisen pölyn vaikutus MLC-relaatioihin todetaan riippuvan käytetystä kaistasta ja väristä, mutta vaikutuksen havaitaan olevan suurin optisen ja lähi-infrapunan väriyhdistelmillä.
Resumo:
A set of models in Aspen plus was built to simulate the direct synthesis process of hydrogen peroxide in a micro-reactor system. This process model can be used to carry out material balance calculation under various experimental conditions. Three thermodynamic property methods were compared by calculating gas solubility and Uniquac-RK method was finally selected for process model. Two different operation modes with corresponding operation conditions were proposed as the starting point of future experiments. Simulations for these two modes were carried out to get the information of material streams. Moreover, some hydrodynamic parameters such as gas/liquid superficial velocity, gas holdup were also calculated with improved process model. These parameters proved the proposed experimental conditions reasonable to some extent. The influence of operation conditions including temperature, pressure and circulation ratio was analyzed for the first operation mode, where pure oxygen was fed into dissolving tank and hydrogen-carbon dioxide mixture was fed into microreactor directly. The preferred operation conditions for the system are low temperature (2°C) and high pressure (30 bar) in dissolving tank. High circulation ratio might be good in the sense that more oxygen could be dissolved and fed into reactor for reactions, but meanwhile hydrodynamics of microreactor should be considered. Furthermore, more operation conditions of reactor gas/liquid feeds in both of two operation modes were proposed to provide guidance for future experiment design and corresponding hydrodynamic parameters were also calculated. Finally, safety issue was considered from thermodynamic point of view and there is no explosion danger at given experimental plan since the released reaction heat will not cause solvent vaporization inside the microchannels. The improvement of process model still needs further study based on the future experimental results.
Resumo:
Percarboxylic acids are commonly used as disinfection and bleaching agents in textile, paper, and fine chemical industries. All of these applications are based on the oxidative potential of these compounds. In spite of high interest in these chemicals, they are unstable and explosive chemicals, which increase the risk of synthesis processes and transportation. Therefore, the safety criteria in the production process should be considered. Microreactors represent a technology that efficiently utilizes safety advantages resulting from small scale. Therefore, microreactor technology was used in the synthesis of peracetic acid and performic acid. These percarboxylic acids were produced at different temperatures, residence times and catalyst i.e. sulfuric acid concentrations. Both synthesis reactions seemed to be rather fast because with performic acid equilibrium was reached in 4 min at 313 K and with peracetic acid in 10 min at 343 K. In addition, the experimental results were used to study the kinetics of the formation of performic acid and peracetic acid. The advantages of the microreactors in this study were the efficient temperature control even in very exothermic reaction and good mixing due to the short diffusion distances. Therefore, reaction rates were determined with high accuracy. Three different models were considered in order to estimate the kinetic parameters such as reaction rate constants and activation energies. From these three models, the laminar flow model with radial velocity distribution gave most precise parameters. However, sulfuric acid creates many drawbacks in this synthesis process. Therefore, a ´´greener´´ way to use heterogeneous catalyst in the synthesis of performic acid in microreactor was studied. The cation exchange resin, Dowex 50 Wx8, presented very high activity and a long life time in this reaction. In the presence of this catalyst, the equilibrium was reached in 120 second at 313 K which indicates a rather fast reaction. In addition, the safety advantages of microreactors were investigated in this study. Four different conventional methods were used. Production of peracetic acid was used as a test case, and the safety of one conventional batch process was compared with an on-site continuous microprocess. It was found that the conventional methods for the analysis of process safety might not be reliable and adequate for radically novel technology, such as microreactors. This is understandable because the conventional methods are partly based on experience, which is very limited in connection with totally novel technology. Therefore, one checklist-based method was developed to study the safety of intensified and novel processes at the early stage of process development. The checklist was formulated using the concept of layers of protection for a chemical process. The traditional and three intensified processes of hydrogen peroxide synthesis were selected as test cases. With these real cases, it was shown that several positive and negative effects on safety can be detected in process intensification. The general claim that safety is always improved by process intensification was questioned.
Resumo:
Methyl chloride is an important chemical intermediate with a variety of applications. It is produced today in large units and shipped to the endusers. Most of the derived products are harmless, as silicones, butyl rubber and methyl cellulose. However, methyl chloride is highly toxic and flammable. On-site production in the required quantities is desirable to reduce the risks involved in transportation and storage. Ethyl chloride is a smaller-scale chemical intermediate that is mainly used in the production of cellulose derivatives. Thus, the combination of onsite production of methyl and ethyl chloride is attractive for the cellulose processing industry, e.g. current and future biorefineries. Both alkyl chlorides can be produced by hydrochlorination of the corresponding alcohol, ethanol or methanol. Microreactors are attractive for the on-site production as the reactions are very fast and involve toxic chemicals. In microreactors, the diffusion limitations can be suppressed and the process safety can be improved. The modular setup of microreactors is flexible to adjust the production capacity as needed. Although methyl and ethyl chloride are important chemical intermediates, the literature available on potential catalysts and reaction kinetics is limited. Thus the thesis includes an extensive catalyst screening and characterization, along with kinetic studies and engineering the hydrochlorination process in microreactors. A range of zeolite and alumina based catalysts, neat and impregnated with ZnCl2, were screened for the methanol hydrochlorination. The influence of zinc loading, support, zinc precursor and pH was investigated. The catalysts were characterized with FTIR, TEM, XPS, nitrogen physisorption, XRD and EDX to identify the relationship between the catalyst characteristics and the activity and selectivity in the methyl chloride synthesis. The acidic properties of the catalyst were strongly influenced upon the ZnCl2 modification. In both cases, alumina and zeolite supports, zinc reacted to a certain amount with specific surface sites, which resulted in a decrease of strong and medium Brønsted and Lewis acid sites and the formation of zinc-based weak Lewis acid sites. The latter are highly active and selective in methanol hydrochlorination. Along with the molecular zinc sites, bulk zinc species are present on the support material. Zinc modified zeolite catalysts exhibited the highest activity also at low temperatures (ca 200 °C), however, showing deactivation with time-onstream. Zn/H-ZSM-5 zeolite catalysts had a higher stability than ZnCl2 modified H-Beta and they could be regenerated by burning the coke in air at 400 °C. Neat alumina and zinc modified alumina catalysts were active and selective at 300 °C and higher temperatures. However, zeolite catalysts can be suitable for methyl chloride synthesis at lower temperatures, i.e. 200 °C. Neat γ-alumina was found to be the most stable catalyst when coated in a microreactor channel and it was thus used as the catalyst for systematic kinetic studies in the microreactor. A binder-free and reproducible catalyst coating technique was developed. The uniformity, thickness and stability of the coatings were extensively characterized by SEM, confocal microscopy and EDX analysis. A stable coating could be obtained by thermally pretreating the microreactor platelets and ball milling the alumina to obtain a small particle size. Slurry aging and slow drying improved the coating uniformity. Methyl chloride synthesis from methanol and hydrochloric acid was performed in an alumina-coated microreactor. Conversions from 4% to 83% were achieved in the investigated temperature range of 280-340 °C. This demonstrated that the reaction is fast enough to be successfully performed in a microreactor system. The performance of the microreactor was compared with a tubular fixed bed reactor. The results obtained with both reactors were comparable, but the microreactor allows a rapid catalytic screening with low consumption of chemicals. As a complete conversion of methanol could not be reached in a single microreactor, a second microreactor was coupled in series. A maximum conversion of 97.6 % and a selectivity of 98.8 % were reached at 340°C, which is close to the calculated values at a thermodynamic equilibrium. A kinetic model based on kinetic experiments and thermodynamic calculations was developed. The model was based on a Langmuir Hinshelwood-type mechanism and a plug flow model for the microreactor. The influence of the reactant adsorption on the catalyst surface was investigated by performing transient experiments and comparing different kinetic models. The obtained activation energy for methyl chloride was ca. two fold higher than the previously published, indicating diffusion limitations in the previous studies. A detailed modeling of the diffusion in the porous catalyst layer revealed that severe diffusion limitations occur starting from catalyst coating thicknesses of 50 μm. At a catalyst coating thickness of ca 15 μm as in the microreactor, the conditions of intrinsic kinetics prevail. Ethanol hydrochlorination was performed successfully in the microreactor system. The reaction temperature was 240-340°C. An almost complete conversion of ethanol was achieved at 340°C. The product distribution was broader than for methanol hydrochlorination. Ethylene, diethyl ether and acetaldehyde were detected as by-products, ethylene being the most dominant by-product. A kinetic model including a thorough thermodynamic analysis was developed and the influence of adsorbed HCl on the reaction rate of ethanol dehydration reactions was demonstrated. The separation of methyl chloride using condensers was investigated. The proposed microreactor-condenser concept enables the production of methyl chloride with a high purity of 99%.
Resumo:
Alzheimer’s disease (AD) is the most common form of dementia. Characteristic changes in an AD brain are the formation of β-amyloid protein (Aβ) plaques and neurofibrillary tangles, though other alterations in the brain have also been connected to AD. No cure is available for AD and it is one of the leading causes of death among the elderly in developed countries. Liposomes are biocompatible and biodegradable spherical phospholipid bilayer vesicles that can enclose various compounds. Several functional groups can be attached on the surface of liposomes in order to achieve long-circulating target-specific liposomes. Liposomes can be utilized as drug carriers and vehicles for imaging agents. Positron emission tomography (PET) is a non-invasive imaging method to study biological processes in living organisms. In this study using nucleophilic 18F-labeling synthesis, various synthesis approaches and leaving groups for novel PET imaging tracers have been developed to target AD pathology in the brain. The tracers were the thioflavin derivative [18F]flutemetamol, curcumin derivative [18F]treg-curcumin, and functionalized [18F]nanoliposomes, which all target Aβ in the AD brain. These tracers were evaluated using transgenic AD mouse models. In addition, 18F-labeling synthesis was developed for a tracer targeting the S1P3 receptor. The chosen 18F-fluorination strategy had an effect on the radiochemical yield and specific activity of the tracers. [18F]Treg-curcumin and functionalized [18F]nanoliposomes had low uptake in AD mouse brain, whereas [18F]flutemetamol exhibited the appropriate properties for preclinical Aβ-imaging. All of these tracers can be utilized in studies of the pathology and treatment of AD and related diseases.
Resumo:
The costs of health care are going up in many countries. In order to provide affordable and effective health care solutions, new technologies and approaches are constantly being developed. In this research, video games are presented as a possible solution to the problem. Video games are fun, and nowadays most people like to spend time on them. In addition, recent studies have pointed out that video games can have notable health benefits. Health games have already been developed, used in practice, and researched. However, the bulk of health game studies have been concerned with the design or the effectiveness of the games; no actual business studies have been conducted on the subject, even though health games often lack commercial success despite their health benefits. This thesis seeks to fill this gap. The specific aim of this thesis is to develop a conceptual business model framework and empirically use it in explorative medical game business model research. In the first stage of this research, a literature review was conducted and the existing literature analyzed and synthesized into a conceptual business model framework consisting of six dimensions. The motivation behind the synthesis is the ongoing ambiguity around the business model concept. In the second stage, 22 semi-structured interviews were conducted with different professionals within the value network for medical games. The business model framework was present in all stages of the empirical research: First, in the data collection stage, the framework acted as a guiding instrument, focusing the interview process. Then, the interviews were coded and analyzed using the framework as a structure. The results were then reported following the structure of the framework. In the results, the interviewees highlighted several important considerations and issues for medical games concerning the six dimensions of the business model framework. Based on the key findings of this research, several key components of business models for medical games were identified and illustrated in a single figure. Furthermore, five notable challenges for business models for medical games were presented, and possible solutions for the challenges were postulated. Theoretically, these findings provide pioneering information on the untouched subject of business models for medical games. Moreover, the conceptual business model framework and its use in the novel context of medical games provide a contribution to the business model literature. Regarding practice, this thesis further accentuates that medical games can offer notable benefits to several stakeholder groups and offers advice to companies seeking to commercialize these games.
Resumo:
This study concentrates on developing a suitable business model for Finnish biobanks, with particular emphasis on value creation to stakeholders. The sub-objective of this thesis are to map the commercial possibilities of biobanks and potential barriers for business development. The study approaches the subject from the biobanks’ as well as the stakeholders’ point of view, integrating their hopes and needs considering current and future co-operation into the findings. In 2013 the Biobank Act came into effect, after which six biobanks have been established and several other pending biobank projects are in process. There is relatively little research in regard to the commercial opportunities of this newcomer of the biomedical industry, and particularly in the Finnish markets. Therefore, the aim of this study is to partially fill the research gap of the commercial potential of biobanks and particularly outline the problematic elements in developing business. The theoretical framework consists of a few select theories, which depict business modeling and value creation of organizations. The theories are combined to form a synthesis, which best adapts to biobanks, and acts as a backbone for interviews. The empirical part of the study was conducted mainly by seven face-to-face interviews, and complemented by two phone interviews and an e-mail questionnaire with four responses. The findings consist mainly of the participants’ reflections on the potential products and services enabled by consumer genomics, as well as perceptions on different obstacles for biobanks’ business development. The nature of the study is tentative, as biobanks are relatively new organizations in Finland, and their operation models and activities are still molding. The aim is to bring to surface the hopes and concerns of biobanks’ representatives, as well as the representatives of stakeholders, in order to transparently discuss the current situation and suggestions for further development. The study concludes that in principle, the interviewees’ agree on the need for development in order not to waste the potential of biobanks; regardless, the participants emphasize different aspects and subsequently lean on differing methods.
Resumo:
This study concentrates on developing a suitable business model for Finnish biobanks, with particular emphasis on value creation to stakeholders. The sub-objective of this thesis are to map the commercial possibilities of biobanks and potential barriers for business development. The study approaches the subject from the biobanks’ as well as the stakeholders’ point of view, integrating their hopes and needs considering current and future co-operation into the findings. In 2013 the Biobank Act came into effect, after which six biobanks have been established and several other pending biobank projects are in process. There is relatively little research in regard to the commercial opportunities of this newcomer of the biomedical industry, and particularly in the Finnish markets. Therefore, the aim of this study is to partially fill the research gap of the commercial potential of biobanks and particularly outline the problematic elements in developing business. The theoretical framework consists of a few select theories, which depict business modeling and value creation of organizations. The theories are combined to form a synthesis, which best adapts to biobanks, and acts as a backbone for interviews. The empirical part of the study was conducted mainly by seven face-to-face interviews, and complemented by two phone interviews and an e-mail questionnaire with four responses. The findings consist mainly of the participants’ reflections on the potential products and services enabled by consumer genomics, as well as perceptions on different obstacles for biobanks’ business development. The nature of the study is tentative, as biobanks are relatively new organizations in Finland, and their operation models and activities are still molding. The aim is to bring to surface the hopes and concerns of biobanks’ representatives, as well as the representatives of stakeholders, in order to transparently discuss the current situation and suggestions for further development. The study concludes that in principle, the interviewees’ agree on the need for development in order not to waste the potential of biobanks; regardless, the participants emphasize different aspects and subsequently lean on differing methods.