Orientador: Ana Maria Frattini Fileti / Dissertação (mestrado) - Universidade Estadual de Campinas, Faculdade de Engenharia Química / Made available in DSpace on 2018-08-18T19:16:53Z (GMT). No. of bitstreams: 1 Santos_BrunnoFerreirados_M.pdf: 1390100 bytes, checksum: 6d2b1c02098b1bb57ec404e3263f61a6 (MD5) Previous issue date: 2011 / Resumo: Indústrias de polimerização, em geral, utilizam diferentes sistemas reacionais para obter polímeros com diferentes características. Os processos de polimerização de estireno em batelada podem a apresentar um perfil de temperatura transiente, por causa de efeitos de viscosidade no meio reacional, são chamados de efeitos difusionais. Com a finalidade de controlar a temperatura destes tipos de sistema, engenheiros têm se voltado à busca de modelos que descrevam com fidelidade os processos nãolineares. Controle preditivo baseado em um modelo (MPC) de Redes Neurais Artificiais (RNAs) é uma opção para estes casos. Neste trabalho foram implementadas as equações algébricas e os parâmetros ajustados no treinamento de um modelo neural em uma planilha do Microsoft Excel. A atualização das variáveis do modelo se deu através da comunicação entre o Indusoft Web Studio (IWS) e a planilha via driver DDE (Dynamics Data Exchange). O treinamento do modelo neural aconteceu com algoritmo de Levenberg-Marquardt com regularização bayesiana utilizando o toolbox do MATLAB (comando trainbr). A validação do modelo foi realizada online, para garantir o uso do mesmo. Num primeiro momento, foram estudadas as condições para aplicação de controle fixando a proporção da mistura reacional em 50-50% em volume para monômero e solvente (estireno e tolueno, respectivamente) e a modelagem com RNA mostrou bons resultados. Em outro momento, realizou-se um controle em cascata da temperatura do reator manipulando a potência da resistência (variável manipulada) através da passagem de um fluido pela camisa do reator. Foi utilizado o simulink do MATLAB para fazer a malha de controle em cascata, através de um diagrama de blocos e sua atualização aconteceu via protocolo OPC (OLE for Process Control) de dados do Indusoft. Em paralelo, um modelo fenomenológico validado para processos poliméricos, envolvendo equações e parâmetros relacionados à polimerização de estireno, foi utilizado para estimar valores de conversão, massa molar média numérica (Mn) e massa molar média ponderal (Mw). Observou-se o sucesso da aplicação da estratégia de controle cascata adotada para a planta real, permitindo assim estabelecer uma comparação com as predições do modelo. Para o funcionamento do MPC, foram enviadas, a cada 5 segundos, as informações das variáveis de entrada (temperatura do reator, temperatura do fluido e a variação de potência) para o modelo neural na planilha, calculando automaticamente a temperatura do reator em um instante de amostragem à frente usando-a na função-objetivo do Solver no Excel (minimizar erro quadrático). O valor do Solver foi, então, mandado para o processo através de uma programação em VBA (Visual Basic Applications). Foram analisados os desempenhos dos controladores através do oveshoot, tempo de acomodação, IAE e ITAE. E realizou-se a utilização do controlador Híbrido (controle em cascata e MPC) o que melhorou a performance do sistema / Abstract: Chemical processes are included in several types of industries and demand precise control to reach the final product with quality. Because of the viscosity effects of reactor bulk (diffusional effects), the batch styrene polymerization processes present transient temperature behavior. Aiming at controlling the temperature of these systems, rigorous first principles models that describe nonlinearities precisely have been developed by engineers. The model predictive control (MPC) based on neural network modeling is one of the most approppriate techniques for these processes. In this work, the algebraic equations of a neural network and its adjusted parameters from the training step were implemented in an electronic worksheet (Excel software). The communication from the supervisory software (Indusoft Web Studio - IWS) and the worksheet were done through driver DDE (Dynamics Data Exchange), allowing the update of measured variables. The Bayesian Regularization Levenberg-Marquardt algorithm (trainbr function in the software MATLAB) was employed in network training. The model validation was on line performed in order to prove its suitability to the actual process. Initially, a 50/50 % volume ratio of solvent (Toluene) and monomer (styrene) was used for the control application studies, obtaining precise results using the neural network. Afterwards, a temperature cascade control loop was implemented by manipulating the resistance power inverter of the heating thermal fluid tank. This fluid circulates at the reactor jacket. The cascade control diagram was developed in the Simulink/MATLAB software. Updating measurements occurred by means of the OLE for Process Control protocol (OPC). A validated first principles model, using parameters related to the polymerization of styrene, was used to estimate conversion rates, number average molecular weight (Mn) and weight average molecular weight (Mw). The successful application of the control strategy allowed the comparison to the rigorous model predictions. The neural model input variables (reactor temperature, thermal fluid temperature and power inverter position) were captured from sensors every 5 seconds. At this time, the model in the worksheet calculated automatically the one-step-ahead temperature value, using this prediction in the objective function (squared error minimization) implemented in the solver of the Excel software. Using VBA (Visual Basic Applications) programming, the manipulated variable action was calculated and then sent to the process. The overshoot, settling time, IAE and ITAE were used as controller performance indexes. A hybrid controller (cascade feedback and MPC) was also tested, improving the performance of the system / Mestrado / Sistemas de Processos Quimicos e Informatica / Mestre em Engenharia Química

Diploma thesis presents topic Classifying chemical reactions that was elaborated on the principle of inquiry based science education. The handbook for teachers, which is a part of the thesis, contains two variants of structured inquiry and two variants of guided inquiry. There are also methodical instructions for teachers, a list of chemicals, the procedure for carrying out the reactions and photo documentation of experiments, including measured graphs of pH and redox potential (PASCO probeware). Inquiry-based science education has the potential to develop key competences, which are becoming an important goal of education at all levels of education. The key competencies are included in the Czech curriculum, the Framework Educational Program for Grammar schools. The next part of the thesis was preparation of the questionnaire focused on developed key competencies. Students that performed laboratory session with the new developed material on topic classification of chemical reaction filled in the questionnaires after their work. The results showed that during the work students had the opportunity to develop five key competences.

Microbial Fuel Cell is a novel technology that can be used for a waste water treatment in order to simultaneously remove carbonaceous matter and nitrogen while producing electrical power. Even if it is not an established technology so far, MFC could be a cost effective option for waste water treatment and the major challenge of this process will be the device scale-up. Exoelectrogenic bacteria are capable of converting the chemical energy of organic matter into electrical energy by transferring the electrons produced in the oxidation to the anode electrode. This project focused on developing a single device for nitrification, denitrification and carbon removal. Two double air-cathode single chamber MFCs are used to test the feasibility of this process that could replace the biological unit in a waste water treatment train. The cells tested in this study were manufactured with the purpose of achieving a high surface area on both the anode electrode (vitreous carbon foam) and the air-cathode electrodes (metallic mesh with diffusion layer and active layer) with different catalysts for the reduction reaction (cobalt and platinum). The bacterial biofilm growth is a fundamental step and the cells Open Circuit Potential was monitored during all the start-up period to determine the microorganism acclimation: a three days lag period was observed in both cells before the potential rise. The second cell was forced to reach higher voltage through an anode polarization and that seems to positively affect the biofilm stability at lower voltages transferring a greater amount of electrons and hence obtaining a higher current and power generation. For this reason after three weeks of inoculation the second cell reached an open circuit potential of 0.76 V which is a promising value for such a system. Electrochemical and biological tests were conduced in order to test the power production of the cell and the substrate removal from the waste water. Polarization curves were used to evaluate power generation (and the maximum production under a specific external load) and the cell voltage trend which is characterized by activation and ohmic losses: 32 mW/ and 41 mW/  are the power density normalized by cathode surface (72 ) reached by respectively first and second cell. The experimental conditions were varied from low to high temperature and from low to high inlet flow rate but the most affecting phenomenon seems to be the biofilm formation since significant voltage drops were noticed after long closed circuit operation. Higher cell voltage characterized the second cell thanks to more active cathode (platinum catalyst used) and more negative bacterial biofilm but a bigger drop in current generation over time affects the system performance and the most reliable reason is the shorter acclimation time compared to the first cell. Cyclic voltammetry tests were carried out on both electrodes to study the potential range of activity and determine an optimal operational voltage despite of mass transport or kinetic limitations. Substrate removal tests at different retention times in power generation conditions (external load 100 Ω) showed a relatively high total nitrogen consumption (maximum 72.2 %) for the first cell while lower values were achieved by the second system meaning that a longer acclimation period is beneficial for nitrifying and denitrifying bacteria to thrive on the cathode biofilm. Effluent pH level are almost similar to the initial values probably because of nitrification and denitrification protons offset.

The degree project was done at Södra Cell Värö with the purpose to investigate how the use of energy for pulp drying in a pulp dryer could be made more effective to decrease the energy consumption or increase the capacity. The pulp dryer is one of the machines that consumes the most energy at SCV. The air that dryes the pulp is heated by low pressure steam, and since the amount low pressure steam was limited, the purpose with the project was to investigate how the low pressure steam best could be used. If the drying capacity could be improved it could enable for an increase in production or a decrease low pressure steam consumption. The task was divided into: 1. Analysis of steam and condensate flows connected to the pulp dryer. Can they be adjusted to improve the drying capacity? 2. Investigation of possible sectors of application for hot air flows from vacuum pumps. 3. Investigation of the condensate system. Can condensate and flash steam be used in a better way to provide more steam to the pulp dryer? For task 1, air and energy balances were made ove the pulp dryer, then temperature, flow and moisture content were measured for all air flows in and out. To investigate how the consumption low pressure steam in the pulp dryer depends on the air flows in to the pulp dryer, tests were made where the rotation speed for the fans and the temperature for the air were varied. The result of measuring the air balance over the pulp dryer was that the same amount air was going in and out, which means that all the air was going in to the dryer preheated. The energy balance over the thermal recycling system showed that 40 % of the energy in outgoing air was being reused. Increasing the rotation speed from 750 rpm to 1000 rpm was favourable when the production was high. Increasing the temperature of the air in to the pulp dryer showed that the consumption low pressure steam decreased. Recommended rotation speeds: December – february: 1000 rpm, all levels of production mars – november: 1000 rpm for high production (over 3 bar low pressure steam to pulp dryer) 750 rpm for low production (below 3 bar low pressure steam to pulp dryer) For task 2, temperature, flow and moisture content were measured for all air flows out from the vacuum pumps. The air flows out from the vacuum pumps had a temperature of 40-50 °C, which was too low to be used for preheating of air to pulp dryer. For task 3, a mapping of the condensate system including all steam and condensate flows connected to the pulp dryer was made. The mapping was made in AutoCAD. Since the experiment with increased temperature of the air in to the pulp dryer showed that an increase in temperature caused the consumption low pressure steam to decrease, calculations of how much more the consumption low pressure steam could be decreased by switching to steam of a higher pressure for preaheating the drying air. By using only steam of higher pressure for air preheating, the amount available low pressure steam to the pulp dryer could be increased with 6 tonnes/h. / Examensarbetet utfördes på Södra Cell Värö med syfte att undersöka hur energianvändningen för massatorkning på torkmaskinen (TM) kunde effektiviseras för att ge lägre energiförbrukning eller högre kapacitet. TM är en av de mest energiförbrukande avdelningarna på bruket. Massan torkas där med luft som värms av processånga vilken utgörs av lågtrycksånga, och eftersom tillgången av lågtrycksånga var begränsad var det önskvärt att undersöka hur den kunde användas på mest effektiva sätt. Om torkkapaciteten kan förbättras kan det möjliggöra en ökning av produktionen alternativt en minskning av förbrukning av lågtrycksånga. Uppgiften delades upp i: 1. Analys av ång- och luftflöden kopplat till TM. Kan de justeras för att ge bättre torkkapacitet? 2. Undersökning av möjliga användningsområden för varma luftflöden från vakuumpumparna. 3. Undersökning av kondensatsystemet. Kan kondensat och flashånga utnyttjas på ett bättre sätt för att tillhandahålla mer ånga till TM? Till uppgift 1 ställdes luft- och energibalanser upp över TM, och sedan gjordes mätningar på temperatur, flöde och fukthalt på in- och utgående luftflöden. För att undersöka hur förbrukningen lågtrycksånga i torkskåpet påverkas av tilluften gjordes försök där varvtal på tilluftfläktar och temperatur på tilluft varierades. Resultatet av luftbalansmätningarna var att inget undertryck rådde över torkskåpet, vilket innebär att all tilluft gick förvärmd in till torkningen. Energibalans över värmeåtervinningssystemet visade att ca 40 % av energin i utgående våtluft återvinns. Försök med varvtal och temperatur på tilluft visade att en ökning av varvtal från 750 rpm till 1000 rpm var gynnsamt vid hög produktion, samt att en temperaturökning på tilluft minskade förbrukningen lågtrycksånga i torkskåpet. Rekommenderade körinställningar: December-februari: 1000 rpm, alla produktionsnivåer Mars-november: 1000 rpm vid hög produktion (över 3 bars tryck på lågtrycksångan till skåpet) 750 rpm vid låg produktion (under 3 bars tryck på lågtrycksångan till skåpet) Till uppgift 2 gjordes mätningar på temperatur, flöde och fukthalt på utgående luftflöden från vakuumpumpar. Luftflödena från vakuumpumpar höll en temperatur på 40-50 °C, vilket var för lågt för att kunna användas till att förvärma torkluft till TM. Till uppgift 3 gjordes en kartering av kondensatsystemet inkluderande alla ång- och kondensatflöden kopplade till massatorkningen. Karteringen utfördes i AutoCAD. Eftersom försöket med temperaturökning på tilluft visade att lågtrycksångförbrukningen i skåpet minskade med ökad temperatur på tilluft, beräknades hur stor en ytterligare besparing lågtrycksånga skulle kunna bli om all tilluft förvärmdes av mellantrycksånga. Genom att använda mellantrycksånga för att förvärma all tilluft till torkskåpet skulle mängden tillgänglig lågtrycksånga till torkskåpet kunna ökas med 6 ton/h.

Användandet av fossila bränslen som energikälla leder till stora utsläpp av växthusgaser och klimatförändringar, vilket börjar bli ett hot som växer sig större för varje år. Genom att använda e-bränslen kan man ersätta fossila bränslen, minska utsläppen av växthusgaser och lyckas uppnå klimatmålen. Examensarbetet specialiserade sig på produktion av e-metanol som är en slutprodukt av e-bränslen. Syftet var att undersöka förutsättningarna för ett ekonomiskt, tekniskt och säkerhetsmässigt hållbart Power-to-X koncept i form av en e-metanolanläggning i Norra Sverige. Detta gjordes genom att ta fram mass- och energibalans för metanolproduktion, dimensionera och genomföra en ekonomisk analys för en e-metanolanläggning. För dimensionering undersöktes metanolbehovet och vad nuvarande konventionella metanolanläggningar producerar. En teknisk kartläggning av e-metanolproduktion och olika elektrolys-tekniker utfördes, för att uppskatta en genomförbar storlek av e-metanolanläggning i Norra Sverige. För examensarbetet utfördes inte en teknisk kartläggning för koldioxidavskiljning, CO2-råvaran valdes att köpas in som en driftskostnad. Ett förenklat flödesschema togs fram med vald PEM-elektrolysteknik och direkt CO2-hydrering baserad på liknande studier inom metanolproduktion. För ekonomiska analysen utvärderades anläggningens totala kapitalinvesteringskostnad och driftskostnad för metanolproduktion och elektrolysör separat. Kostnaden för utrustningen inom metanolproduktionen togs från studier med ett liknande flödesschema. Utrustningen som beaktades var kompressorer, värmeväxlare, reaktor, separator och destillation. Efterfrågan på förnybar metanol i Sverige och resten av världen är stor och förväntas fortsätta att öka, för att användas i flera tusentals vardagsprodukter, inklusive plast, färg, kosmetiska och bränslen. För e-metanolanläggningen krävs det stora mängder el och vatten till elektrolysören och koldioxid för metanolproduktionen. En e-metanolanläggning med 500 kton/år i kapacitet, anses vara fullt genomförbar att realisera i Norra Sverige. Tekniken finns för att kunna skapa den mängd CO2 och H2 som anläggningen kräver. Största svårigheten är att få råvarorna, CO2 och H2, till en rimlig kostnad och kapital för att bygga anläggningen. Vidare är det osäkert ifall det finns tillräckligt med förnybar CO2 från netto CO2-neutrala källor i Norra Sverige. Den totala kapitalkostnaden för denna storlek uppskattades till 1,61 miljarder SEK fördelat på tre konstruktionsår, vilket till största del bestod av kostnaden för elektrolysören med 72 %. Den totala driftskostnaden uppskattades till 1,74 miljarder SEK per år, vilket till största del bestod av kostnaden för elektriciteten med 72 %, där majoriteten gick till elektrolysören. Priset på CO2 har en stor inverkan beroende på val av källa och teknik för koldioxidavskiljning. Dessa kostnader är en uppskattning och kan vara högre för ett verkligt fall, när skatter, plats etc. tas i hänsyn och när elprisets variation är medräknat. E-metanol kan bli konkurrenskraftig med fossil metanol om kostnaden för elektrolysören och elpriset, skulle minska avsevärt och ifall det finns tillräckligt med förnybar CO2 tillgängligt.

The corrugated board is considered as the second most used packaging material and the world’s environmentally acceptable solution for packaging, with wide range of applications. After the manufacturing process, the corrugated board is cut into sheets and stored in a stack until optimum moisture content has been reached in order to avoid undesired properties. However, due to complex and various structures, it is difficult to estimate the appropriate time so to achieve the acceptable moisture level of the corrugated board stack. So a homogenized model of the stack has to be created which will have the same average properties as the real stack. In order to achieve this goal the behavior of a smaller part of the stack, the unit cell, is investigated. In the second step a homogenized model is created with the average transport of mass and heat. At the end, the unit cell is scaled up. In this master thesis, only the first and the second steps were simulated. This was achieved by creating a 3-D mathematical model using finite element method and simulating its properties in COMSOL Multiphysics®. Four mathematical models were used in the description of the 3-D model: the heat transfer, the moisture transfer, the vapour concentration and the gas pressure. Moreover, by applying the gradient in one direction in each case, the behavior of the detailed unit cell was investigated. Finally different simplified geometries were created and investigated so to approach a homogenized model which described better the average properties of the detailed model. By comparing the results of the models, it was concluded that the homogenized models 2 and 3 approached the values of the second detailed model but only inside of the unit cell. However, the deviation was not negligible and further investigation is required in order to find a new homogenized method.

Various distillates are treated with hydrogen gas during hydrotreatment in the presence of catalyst in order to reduce the sulfur and aromatic content of the product. Optimal hydrotreater performance is essential for producing Nynas specialty oils, in order to fulfill the planned production volume and to meet the product specification. Loss of catalyst activity is inevitable during the production. To adjust for the impact of catalyst deactivation, different process variables are manipulated. Different distillates affect the catalyst in different ways due to the variation in distillate composition. Distillates with higher organic nitrogen content and running at a lower temperature tend to deactivate the catalyst more due to the adsorption of nitrogen compounds on the active sites of the catalyst and their slow nature of desorption. In this master thesis, different catalyst deactivation mechanisms with a focus on nitrogen deactivation have been studied. Since nitrogen is not normally measured at Nynas, nitrogen content of different distillates and products and how these values change during operation was not known. Different distillates, blend of distillates and different products were measured to estimate roughly the typical nitrogen value of the distillates and products. The temperature data inside the reactors were analyzed to calculate and plot WABT (weighted average bed temperature) during different product runs and to see whether there is a correlation between the nitrogen content of the feed and operation severity (increase in WABT). Historical process data from hydrotreater unit 2 (mostly from 2013-2014) were analyzed with a view to finding out signs of catalyst deactivation. Similar product runs were also analyzed and compared to see how the catalysts performed at different periods of time. A kinetic model, based on HDS kinetics, has been used for following up two product runs. To do so, sulfur content of the feed and product were measured. Aromatic content of the product was also measured to see whether the product was on specification. .From the calculation and plotting of WABTs, it could be seen that there is an increase in WABT during the product runs operating at lower temperatures and with higher nitrogen content. From the comparison of two P3 product runs at two different time periods, it could be seen that ∆T development over one bed (amount of reaction over the bed) was much lower at one time. This can possibly be a sign of catalyst deactivation since it contributed to lesser amount of reaction over the bed. From the calculations by using the kinetic model, it could be seen that the actual temperatures were higher than the predicted temperatures. The increase in WABTs could also be noticed. These observations can possibly be coupled with nitrogen deactivation of the catalysts.  However, more tests are required to verify whether the temperature differences were significant or not. Other parameters which are also important from product selling point of view such as viscosity, color, flash point, acid number etc. and have not been covered in this degree project need to be taken into consideration before making further conclusions.

Peptide drugs are used to treat a broad spectrum of diseases such as cancer and HIV and have many more promising applications, such as new vaccines against SARS-CoV-2. The most popular manufacturing method for peptides is solid-phase peptide synthesis (SPPS). The main drawback of SPPS is that it is a costly and wasteful process.  SpinChem is a company that provides technology solutions for chemical processes. Recently, SpinChem has started investigating if their Rotating Bed Reactor (RBR) is suitable for peptide synthesis. The goal of this project is to investigate how the RBR can make processes like SPPS more resource-efficient. The idea is that the RBR-system can maximize the solid-phase to liquid ratio (STL). The STL is the ratio of the volume of solid-phase material and the volume of liquid. By maximizing the STL, it is possible to manufacture peptides using less solvents and chemicals. The main quest of the project is formulated into a single question:  How does a high STL affect the efficiency of the RBR-system?  To answer the question, Minitab's statistical software and design of experiments (DOE) will be used to plan and perform experiments in both lab- and industrial scales. DOE factorial experiments are used to gain as much information as possible about the new RBR-system. The results are analyzed and summarized to make a solid foundation for the continued work on the new RBR application.  Peptide synthesis efficiency in the RBR-system is measured using ionic adsorption. The ionic adsorption rate is measured in both lab-scale and industrial-scale experiments. In the lab-scale experiments, the decrease of ions was on average 86,5% after just 15 s with an average STL of 0,936. The industrial-scale experiments showed a similar result where the average decrease in ions was 92,9% after 20 s with an average STL of 0,947. It was concluded that the RBR-system can reduce the consumption of washing-solvent in SPPS by up to 82%.

This thesis covers fundamental aspects of process control when growing titanium oxide nanoparticles in a reactive sputtering process. It covers the influence of oxygen containing gas on the oxidation state of the cathode from which the growth material is ejected, as well as its influence on the particles oxidation state and their nucleation. It was found that a low degree of reactive gases was necessary for nanoparticles of titanium to nucleate. When the oxygen gas was slightly increased, the nanoparticle yield and particle oxygen content increased. A further increase caused a decrease in particle yield which was attributed to a slight oxidation of the cathode. By varying the oxygen flow to the process, it was possible to control the oxygen content of the nanoparticles without fully oxidizing the cathode. Because oxygen containing gases such as residual water vapour has a profound influence on nanoparticle yield and composition, the deposition source was re-engineered to allow for cleaner and thus more stable synthesis conditions. The size of the nanoparticles has been controlled by two means. The first is to change electrical potentials around the growth zone, which allows for nanoparticle size control in the order of 25-75 nm. This size control does not influence the oxygen content of the nanoparticles. The second means of size control investigated was by increasing the pressure. By doing this, the particle size can be increased from 50 – 250 nm, however the oxygen content also increases with pressure. Different particle morphologies were found by changing the pressure. At low pressures, mostly spherical particles with weak facets were produced. As the pressure increased, the particles got a cubic shape. At higher pressures the cubic particles started to get a fractured surface. At the highest pressure investigated, the fractured surface became poly-crystalline, giving a cauliflower shaped morphology.

In this study, we quantified the Chemistry-Process-Structure-Property (CPSP) relations of a Ti-6Al-4V/TiB functionally graded material to assess its ability to withstand large deformations in a high throughput manner. The functionally graded Ti-6Al-4V/TiB alloy was created by using a Laser Engineered Net Shaping (LENS) process. A complex thermal history arose during the LENS process and thus induced a multiscale hierarchy of structures that in turn affected the mechanical properties. Here, we quantified the functionally graded chemical composition; functionally graded TiB particle size, number density, nearest neighbor distance, and particle fraction; grain size gradient; porosity gradient. In concert with these multiscale structures, we quantified the associated functionally graded elastic moduli and overall stress-strain behavior of eight materials with differing amounts of titanium, vanadium, aluminum, and boron with just one experiment under compression using digital image correlation techniques. We then corroborated our experimental stress behavior with independent hardening experiments. This paper joins not only the Process-Structure-Property (PSP) relations, but couples the different chemistries in an efficient manner to effectively create the CPSP relationships for analyzing titanium, aluminum, vanadium, and boron together. Since this methodology admits the CPSP coupling, the development of new alloys can be solved by using an inverse method. Finally, this experimental data now lays down the gauntlet for modeling the sequential CPSP relationships.