APRÈN. Portal de la producció docent del professorat de la UPC

The current final master's degree project consists in designing a quality assurance system for the manufacturing of medicines in a pharmaceutical environment. For that, the applicable regulations that must be complied are defined. In addition, a problem case is presented with GAPs detected about non-compliances of GMPs and a remediation plan is proposed to mitigate these GAPs in order to obtain a robust quality assurance system that assures the product quality prior to arrive to the patient.

En aquest treball es proposa una metodologia per a comparar diferents vies de valorització d'un residu. Aquesta metodologia pretén ser una eina sistemàtica que permeti escollir d'entre un conjunt d'alternatives de valorització, aquella que ofereix un major benefici econòmic i reducció de l'impacte ambiental, oferint un valor únic, valor objectiu, que faciliti la presa de decisions. S'ha escollit el residu electrònic com a exemple per aplicar la metodologia, dins d'aquest s'han tractat dos processos concrets de valorització dels metalls pesants que conté, la fusió àcida i la fusió alcalina. Aquest residu presenta un conjunt de característiques que fan que sigui interesant valorar-ne la valorització com a via de gestió: cada cop es genera més quantitat, té un valor de mercat elevat i té un impacte ambiental elevat. Per poder valorar les diferents vies de valorització del residu, cal conèixer les propietats físiques i químiques del residu en les que es basen els processos de separació. També existeix la possibilitat de combinar les matèries primes obtingudes dels residus amb altres matèries primes, per generar un producte de major valor afegit, però no està contemplat en el treball. Per complir aquest objectiu, el mètode proposat consta d'una primera etapa, en la que es realitza un anàlisi de cicle de vida simplificat, per tal de poder obtenir l'estalvi en l'impacte ambiental que suposa cada alternativa de via de valorització del residu. Aquest anàlisi consta de la definició de l'objectiu, comparar processos de valorització, definir una unitat funcional, depenent de la decisió que vulguem prendre amb els resultats obtinguts, un inventari de matèries i energia i finalment el càlcul dels valors d'indicadors ambientals. Per aquest últim punt, hem utilitzat bases de dades que utilitzen la metodologia de l'Eco-indicador 99. A continuació, s'ha realitzat un anàlisi econòmic, per a determinar els beneficis econòmics de les dues vies de valorització proposades. Per aquest anàlisi, s'ha determinat els costos associats al consum de matèries primes i energia, el cost de mà d'obra i l'amortització de les instal·lacions, així com el benefici obtingut de la venta de les matèries primes valoritzades. S'ha comparat d'entre tres possibles mides de batch quina era la que oferia un major retorn, calculant-ne el return on investment (ROI) i payback. Finalment, s'ha determinat la funció objectiu per a tractar els resultats econòmics i ambientals obtinguts. Aquesta funció busca maximitzar el benefici econòmic i la reducció de l'impacte ambiental. En funció de si els resultats econòmics i ambientals són positius o negatius, benefici o cost i generació d'impacte ambiental o reducció d'aquest, utilitzarem diferents funcions objectiu. Aplicant la funció objectiu als resultats obtinguts hem pogut determinar que la millor alternativa seria realitzar conjuntament la fusió àcida i alcalina, al tractar-se de processos no excloents i oferir un benefici econòmic i ambiental en els dos casos. En el cas d'escollir entre les alternatives individuals de valorització, la decisió dependrà de les unitats funcionals i per tant de l'objectiu d'aplicació de la metodologia, si volem maximitzar la relació entre benefici econòmic i ambiental per tona de residu tractat escollirem la fusió alcalina. Pel contrari, si volem maximitzar el benefici econòmic i ambiental anual, escollirem la fusió àcida. Podem concloure que la metodologia compleix amb l'objectiu, tot i presentar limitacions en quant a la comparativa degut a que té diverses funcions objectius.

Phenolic resins are mass-produced plastics which are currently manufactured batch-wise. Despite this, some attempts in switching from batch to continuous production strongly suggest the feasibility of this novel process configuration. The continuous production of phenolic resins is not only an interesting engineering challenge, but also an excellent opportunity for innovating and eventually improving current manufacturing practice. Mathematical modelling techniques have been used for simulating the continuous production of phenolic resins. In particular, the acid-catalyzed manufacturing of thermoplastic novolaks synthesized via the polycondensation of hydroxybenzene and aqueous formaldehyde has been studied. In that regard, available industrial and literature data has been implemented in several mathematical models. A process simulation environment has been designed where physical properties and chemical kinetics are accounted for. Of particular interest are the models developed in this work for the polymer's melt and solution viscosity along with the manufacturing yield.

This thesis consists on the research and comparison of the different molecular structures of the SARS-CoV-2 proteases, using them as targets in order to identify molecules with affinity for the active center and, consequently, inhibitors of the enzyme protease. Also, a research of products currently on the market useful for their inhibition. This process includes the preparation of the target structure through molecular dynamics using the Pymol program, molecular screening using a molecular anchoring algorithm and the calculation of the free binding energy of the best ligands with the AutoDock program. To perform the virtual screening, databases of molecules approved by the FDA as therapeutic agents from the DrugBank website will be used. Previously, the ligands of the proteins found in the Protein Data Bank will be virtual screened for familiarization with the programs and to understand how the interaction with the active center and the different affinity are generated depending on the ligand and its position. Once we are familiar with the AutoDock program, it will be carried out the process with all currently approved drugs, and then, separate those that are compatible with the active center of our protease. Finally, a selection will be done in order of higher affinity, obtaining which would currently be the most viable drug for the treatment for patients with Covid demonstrating the efficacy of the screening strategy and the leading of the efficiency on quick discovery of drug leads with clinical potential before specific drugs or vaccines are available.

Carbon dioxide methanation is a well-known reaction that is of interest as a capture and storage process and as a renewable energy storage system based on a power-to-gas conversion process by substitute or synthetic natural gas production. The retrofitting of a continuous operating lab scale was done for the purpose of the methanation reaction as the main aim of the work. The previous plant was a prepared setup which involves the reaction between gas and liquid phase. In the context of this work, the reaction took place in the gas phase, involving carbon dioxide and hydrogen as reactants and nitrogen for purging or diluent in the activation of the catalysts. Also, the present work aims to give a study about four different bi-metallic catalysts based on Ni3Fe with alumina support which were prepared and tested for the methanation reaction. A study of the thermodynamic equilibrium of the reaction and a discussion of the different preparation routes of the catalysts and their advantages and disadvantages is included in this work. The routes followed to prepare the catalysts were deposition precipitation with urea as homogenizing agent, deposition precipitation without urea, incipient wetness impregnation and coprecipitation. The characterization techniques involved in this study were N2-Physisorption, temperature programmed reduction and X-ray powder diffraction. Results about the catalyst activation/deactivation measured with time-on-stream and temperature as well as residence time dependent investigations of the methanation reaction are included in this project. The catalyst obtained with deposition precipitation with urea showed a larger specific surface area, a higher conversion and more activity than the one without the urea. The incipient wetness impregnation results in a catalyst with a little higher conversion than the first one, but with a smaller surface area. The fourth catalyst which corresponds with the coprecipitation method displayed the largest surface area of all the catalysts, however, it could not be tested for technical issues. The conversions achieved were about 60 % for the first and the third routes followed and about 40 % for the second one (deposition precipitation without urea).

Wastewater from industrial activity and agricultural activity is a major problem for human health and the environment, transporting a wide variety of pollutant compounds that need to be removed. These contaminants include organic and micropollutants compounds, such as phenol and atrazine, whose elimination by applying conventional methods, such as coagulation and flocculation or oxidation, are not efficient. In contrast, adsorption has become a relatively simple and versatile alternative, by the large number of adsorbents available, for the elimination of this kind of contaminants. This work aims to theoretically develop the design of a wastewater treatment system for the removal of contaminants by adsorption with active carbon. To do this, four different reaction systems are mathematically modeled: batch reactor, one-effect continuous stirred-tank reactor (CSTR), two-effect CSTR, and column adsorption. Thus, equilibrium and kinetics of adsorption of two contaminants, phenol and atrazine, are studied from the corresponding mass balances. In addition, performance is analyzed with two different types of activated carbon, pulverized (PAC) and granular (GAC), as adsorbent. These systems, therefore, apply to two different case studies, comparing their efficiency, so that the most appropriate alternative for the disposal of proposed wastewater contaminants can be determined.

This project consists of an observation of the current state of the Besòs river and its significant physico-chemical parameters through on-line monitoring data and laboratory measurements in the final section of the river and the mouth. After a small historical investigation on the state of the Besòs river, it was observed how it has undergone great changes over the years. Thanks to a recovery campaign the Besòs river has improved enormously compared to its state in the middle of the past century, but its ecological state is not good due to its non-compliance with physical-chemical parameters. With the help of monitoring and diagnosis of control campaigns carried out by the Catalan Water Agency, it was possible to observe the data indicative of the poor state of the Besòs waters and how they can be related to the available on-line monitoring system, being mainly the conductivity and ion concentration is the aspect that has been developed. In the case of the final section of the river, ions were sampled and analyzed during two campaigns and on-line monitoring of measurements was followed in a manhole in this section. After some adjustments to the configuration, the measurement with the on-line system was made reliable. With the analysis carried out on the laboratory samples and the data obtained by ACA control campaigns, a relationship was established between the conductivity and ion concentration measurements in the final stretch of the river with the use of an ideal model equation that could approximate reality. These measures also made it possible to model the mixture of river water with seawater in a discharge from the final section. On the other hand, reliable and very stable results over time were also observed from the measurements of the water at the mouth. It was observed how the intense floods suffered by the river during storms drastically affect some parameters, highlighting the effect on conductivity. Finally, the model of mixing continental fresh water with salt marine water was also applied to the on-line measures of conductivity in the buoy during intense rain events, due to the Gloria storm, which allowed quantitative measurement of the dilution of river water and sea water in real time.

The material resulting from removing the electrolytic cell in primary aluminium production is called Spent Pot Lining (SPL). SPL is considered to be toxic due to its high concentration of fluorides and cyanides, corrosive and reactive with water. It is estimated that more than 50% of the SPL generated annually is stored indefinitely or deposited in a landfill. Precipitation is considered a simple and cost-efficient method of removing fluoride from aqueous streams producing a valuable product such as fluorite. In fact, fluorite (CaF2) is one of 27 critical raw materials for the EU because the risks of supply shortages and their impact on the economy are high. Its high carbon and fluorine content, as well as CaF2 as the main raw material for almost all fluorochemicals, have made SPL one of the most crucial wastes for recovery, reuse and recycling in a circular economy. This work is focused on the thermodynamic study to predict the behaviour of a stream coming from an SPL recycling process by introducing calcium salts in order to obtain a precipitated product of interest such as CaF2, within a circular economy approach. The thermodynamic of the reaction chemistry was investigated by HSC Chemistry software and the subsequent verification of these results in an experimental way. As a result, the generation of a solid composed of CaF2 has been verified. Among the three precipitation agents studied, it has been found that the one with higher purity values in thermodynamic calculations is CaCl2 (45.1%). For the real sample, the presence of other precipitates such as Na2CO3, CaO, Ca(OH)2, has been observed. A subsequent washing stage is proposed to increase the degree of CaF2 purity. Thus, the results present a reliable and environmentally friendly process that produces a product with a high added value. The research indicates that the process could also be applied for the treatment of wastewater with a high concentration of fluorine. The resulting product has a high economic value and could be applied in the aluminium smelting industry.

Different samples of Ni/CeO2 catalyst (Ni 5% w) were synthesized by the ball milling method and compared with a sample of the same catalyst prepared by incipient wetness impregnation (IWI) in the ammonia decomposition reaction. A fractional factorial design of experiments was applied to optimize the operating conditions of mecanosynthesis; ball mass/catalyst mass ratio (5:1 - 20:1), stirring time (2 - 15 min), stirring speed (200 - 800 rpm) and ball diameter (5 - 10 mm) conditions were evaluated. The ball milling method proved to be more effective than the IWI method in the 80% of the prepared samples. XRD analysis performed on two samples prepared with both methods fully identifies the crystal structure of CeO2 as expected. Raman analysis evidences the presence of Ni(NO3)2 in the ball milling sample in which, in addition, a smaller crystallite size and a constant stability for 100 h are obtained. According to the TPR analysis, ball milling also favors the reduction at lower temperatures compared to IWI.. No significant effects on conversion efficiency was detected by varying the control factors evaluated when performing mechanosynthesis, although the three best samples have in common the ball mass to catalyst mass ratio of 10:1. 

This project is based on the elaboration of 3D printing monoliths of ZnO and Cu/ZnO using the direct ink injection technique or robocasting. Cylindrical monolithic structures of different sizes and internal geometries were extruded to catalyze the reforming reaction of methanol (CH3OH or MeOH) to produce hydrogen (H2). Different semi-solid or inks pastes of zinc oxide (ZnO) are made with sodium hydroxide (NaOH) and deionized water (H2O), as well as others impregnated with copper nitrate trihydrate (Cu (NO3)2 • 3 H2O). Different solutions of NaOH are prepared at different concentrations (1M, 3M, 5M, 7M and 10M) to achieve a homogeneous extrusion of the paste and that, subsequently, the monoliths created mechanically withstand the drying heat treatments at room temperature for 24 hours, at 60°C for 2 hours and calcined at 350°C for 4 hours. Selectivity (H2) of 81.9% is obtained for the Cu/ZnO and 1% Cu monolith and 77.3% for the Cu/ZnO with 5% Cu by weight. Regarding the conversion in the three reactions carried out for the monoliths of ZnO (0% Cu), Cu/ZnO (1% Cu), and Cu/ZnO (5% Cu), up to 35% is obtained.

This work is based on the application of continuous improvement Lean techniques in the improvement of material discharge process in a pharmaceutical company's enterprise resource planning system. A3 method is used for this purpose, with the aim of being able to know the problem, analyse the causes and generate the suitable solutions to optimize the process. The main objective of the project is the standardization of the workflow process, in order to reduce the errors reported to the IT department providing autonomy to all the workers that take part in it, as well as renewing, bringing together and standardizing the existing information in the company around the creation of the product Material Master. By the application of different techniques available in the A3 model such as Brainstorming, Gemba or Ishikawa diagram, all the existing information around the process of wokflow has been unified in a single document and new management tools such as Department Manuals, the indicator of wokflow tracking and a new management and coordination model of material discharging have been created hand in hand with the new assignments assigned to the Project Managers. As the main result of this work, it arises the necessity to apply the same method on the process of closing of final arts, obtaining at the end of it an estimated annual saving of 50.000€ for the company, as well as the quickening of the assignments that are done.

In this Master Thesis the state of art in the purification of PHB's from biomass is studied in detail. Some general information about PHB's is presented. Also, some traditional isolation and extraction and methods are listed and explained. Furthermore, new PHB extraction methods that are less harmful for the environment are proposed as valid methods, such as PHB extraction using high-pressure CO2, enzymatic recovery or PHB extraction using 1,2-propylene carbonate. These studies shown the efficiency of these ecofriendly methods and their application to the production and extraction of PHB processes. PHB extraction using high-pressure CO2 can achieve higher percentages of purity and PHB recovery and can be an eco-friendly extraction method. Enzymatic recovery results showed that with 2.0% of bromelain concentration an efficiency of 88.8% PHB% and purity of 66.6% was achieved and with 2.0% trypsin concentration an efficiency of 87.7% PHB and purity of 60.6% was obtained. In the case of the PHB extraction using 1,2-propylene carbonate a yield of 95% and purity of 84% was obtained, and also the viability of a scale-up PHB extraction process. By last, some study of using biomass as a filler for PHB was also considered viable.

Melt electrospinning has been developed in the last decade as an eco-friendly and solvent-free process to fill the gap between the advantages of solution electrospinning and the need of a cost-effective technique for industrial aspects. Although the benefits of using the melt compared to solution electrospinning are impressive, there are still challenges like processability of polymer melts, large fibre diameter and limitation on the size control, degradation of polymers during their processing, and stability of fibre spinning. Besides developing new techniques in which researchers have focused, incorporation of polymer blends, of additives that improve the conductivity as well as melt-viscosity modifiers, and drugs and other agents for specific applications has also been investigated. This dissertation summarises research papers that discuss new methods and techniques, process parameters, different additives, polymer blends and nanocomposites, and also, the application of drug-loaded melt-electrospun fibres, which focus on providing the ultrafine fibres with different properties. In the last section, some potential applications of melt electrospinning are discussed to bring new ideas for large-scale ultrafine-fibre production. Finally, an appendix with an experimental section in which drug-loaded polylactic acid (PLA) fibrous matrices were prepared by both solution and melt electrospinning has been included. These matrices were intended to be temporary scaffolds for tissue engineering applications to prevent infections in wounds with the antibacterial agent polyhexamethylene biguanide (PHMB).

The present master's final project is based on implementing one or several improvements in the filtering operation of polymeric resins in emulsion, since most of the products are acrylic resins. The study deals with analyzing the filtering operation collecting data from the years 2018 and 2019, to understand the situation of the product purification process. A dashboard is made of each of the products where it allows us to visualize the state in which the operation is, and favors decision-making aimed at improving possible errors that may be being committed. Prior to the analysis of the products, an introduction and specifications will be presented about the emulsion polymerization processes and their applications, the filtration materials used, as well as a description of the different filtration facilities and their factory operation. The information of the filtering process of the different products has been collected, adding a total of seventeen, processed between the years 2018 and 2019. The data has been transferred to a spreadsheet with the Microsoft Excel tool. For each of the products, a table has been created with the most important parameters extracted from the filter sheets, and it has been shown on the dashboard using graphs. For all the products, the data on the status of the filtering operation has been analyzed and discussed, and based on the results, improvements are proposed to be implemented in the factory operation. Finally, an economic study is carried out to foresee the savings that would imply improving the filtering operation in terms of the material used, and the amount of waste generated.

Sant Adrià del Besòs has an exces of groundwater freatic water that are pumped to prevent flooding in a basements and underground parkings. This water are discharged into the sewer. This water can't use because have a high level pollution. It has worked on a pilot plant situated in Sant Adrià del Besòs that was based in reverse osmosis and some filtrations, it use a flint-anthracite filter and a pirolusite filter to prevent that some ions arrive to reverse osmosis because can produce issues, finally, the plant have a calcite filter for reminearize the water. This water can be used for irrigation plants or for industry. Big part of ions that are studied are totally eliminated or in a big percentatge, altough some ions are eliminated to a lesser, but enough for comply with the waters regulations. The plant is a good solution and let ues the water at the moment, unexcept if is necesary a very clean water.

The environmental pollution problems derived from the consumption of fossil fuels as energy sources, is promoting the use of green energy alternatives. Hydrogen has become a very desirable clean and renewable energy source due to its high energy efficiency. Hydrogen is the most abundant chemical element in the universe, but obtaining it in its pure state makes it difficult to use it as a source of renewable energy, so current study methods are being very relevant to produce it. Among all the processes for obtaining hydrogen, the one studied in this project is photocatalytic dehydrogenation using a TiO2 catalyst with metallic nanoparticles (palladium in this case) and a UV light source. The objective of this project is to manufacture monolithic catalysts using 3D printers to print various structures, which are applied different processes of addition of palladium nanoparticles (pre-impregnation or post-impregnation), in order to study the aspects that influence the obtaining of a high quantity of hydrogen. The results obtained showed a relation between the area exposed of the catalyst to UV light and the photoreaction, where the greater the surface area, the greater the hydrogen production. It also revealed the effects of applying various amounts of palladium nanoparticles on the TiO2 monolith, where it was observed that it is preferable to apply small amounts of palladium, since it allows slower photoreaction deactivation times and hydrogen production results that are not very different to those obtained with the samples that applied greater amounts of palladium. Finally, to the study of the different techniques for adding palladium nanoparticles, it was observed that the pre-impregnation method of the nanoparticles showed lower results than the post-impregnation, but these results were preferable if you had taking into account the laboriousness of making monoliths using the post-impregnation method.

This Final Master's Project results from a bibliographic review about factorial design. It consists of a specific search for this design in all its types. The design of experiments is introduced and the importance of its application in engineering is explained, in order to subsequently explain factorial design as one of the most useful tools in the design of experiments. It explains in detail what the design of experiments consists of, the phases that it must follow, as well as its basic principles, the types that exist and the programs that may be useful to carry it out. Once explained, it focuses on what is the design of factorial experiments. Starting with the full factorial design, the easiest to make and understand. Next, the study focuses on fractional factorial design, one of the most widely used factorial design types in engineering. Accompanying this explanation with the corresponding examples for a better understanding. In the next section, the factorial design blockade is explained, another of the most used tools in the design of factorial experiments. At the end of the project, a small environmental study and an economic analysis of what it would be like to carry out this project for a company are also carried out. Annex I will explain how to use the selected program to carry out the examples.

Review of the most advanced technology in the field of electrochemical biosensors and its application for the detection of pathogenic bacteria responsible for causing infectious diseases. During the analysis of the functioning of biosensors, the different detection techniques currently used in the field of biomedicine have been studied, the different synthesis pathways used for the manufacture of conductive polymers and their functions within the biosensors. The strategies and methodologies applied to the design of biosensors capable of detecting different infectious diseases in a selective way have been analyzed. It has been studied as the intervention of conductive polymers for the manufacture of sensors brings numerous advantages and improvements analyzed during the review. Similarly, the results obtained during the different experiments analyzed and all the related variables have been interpreted. The work has been written in article format and sent as a review paper to the scientific Journal of Materials Chemistry B (Impact Factor: 5,047) published by the Royal Society of Chemistry. Within this scientific journal you can find all kinds of information on properties, applications and synthesis of materials present in the field of biology and medicine. The aim of this project was to produce a review with an innovative content that serves as a reference for consultation within the biomedical sector in the application of biosensors modified with conductive polymers.

The present Master's thesis has been carried out at DSM Coating Resins Spain in Parets del Vallès Site. In general terms, the project consistes of the design and the production of an urethane acrylic. Initially, the tecnollogy behind the urethane acrylics is introduced and, as consequence, water born polyurethanes on the one hand and acrylic emulsions on the other are discussed. Next, a new urethane acrylic is designed for a specific application by choosing the raw materials, the design parameters together with the design equations. After this point, the final amount of each raw material necessary for the production of the new urethane acrylic is determined. Along the thesis, it is also mentioned the final process to be carried out with two new reactors, as well as the controls required to ensure both safety and the quality of the process. Since two new reactors are required, the mechanical design of both equipment is also included. Finally, the most relevant aspets of safety, health and environment are detailed and the viability of the project in the economic field has been evaluated.