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Controle preditivo não linear para sistemas de parâmetros distribuídos
(Universidade Federal de São Carlos, 2014-08-28) Rodríguez, Diana Esperanza Sandoval; Kwong, Wu Hong; https://lattes.cnpq.br/0682354960749546
In general, the chemical processes can be represented using mathematical models, in the case of lumped systems include ordinary differential equations, or, partial differential equations, when distributed parameter systems using methods is necessary in both cases numerical resolution in these models, with the purpose to simulate, analyze and control the process. The implementation of control systems in chemical processes, brings with it many advantages, among these, the improvement and stability in production rates, ensuring product quality and the possibility of a safe operation of the process. Thus, in the last 30 years, different control methodologies were developed, one of the most used techniques, the Model Predictive Control Based on. Its success is due to the fact that this type of control accepts constraints on input variables and process output, determining the future of this movement, while optimizing an objective function can lead to the output of the process until the desired set point. The objective of this project is to implement the Model Predictive Controller with Nonlinear (CPNL ) for a reactor pulp bleaching by the use of chlorine dioxide, whose mathematical model is comprised of partial differential equations, thus being a model parameter distributed. Implementation of the controller, the plant is discretized by the Finite Difference Method and the process model is solved with the technique of Orthogonal Collocation. The integration of the resulting ordinary differential equations systems is performed by the method of Runge-Kutta. The Predictive Controller was compared with a Controller Proportional-Integral (PI). Studies have shown that CPNL has better performance, with faster response and values of the Integral Absolute Error (IAE) and Integral Square Error (ISE) smaller than those calculated for the PI controller.
Estudos estruturais de duas 3 (Fenoximetil)-4-fenilbut-3-en-onas e docking no fator letal (LF) do bacillus anthracis (Antraz)
(Universidade Federal de São Carlos, 2014-08-28) Nucci Junior, Paulo Roberto; Moreira, Fernando Manuel Araújo; https://lattes.cnpq.br/1809254923092721
In this work the crystal structures of two 3 (phenoxymethyl)-4-phenylbut-3-en-ones were determined and the resulting 3D strutures were used as input for docking studies in the lethal factor (LF) of bacillus anthracis. The results were then compared with those of a known inhibitor.(3E)-3-(4-nitrophenoxymethyl)-4- phenylbut-3-en-2-one (1): the conformation about the C═C double bond [1.348 (2) Å] is E with the ketone group almost co-planar [C C C C torsion angle = 7.2 (2)°] but the phenyl group twisted away [C C C C =160.93 (17)°]. The terminal aromatic rings are almost perpendicular to each other [dihedral angle = 81.61 (9)°] giving themolecule an overall U-shape. The crystal packing feature benzene-C H O (aldehyde) contacts that lead to supramolecular helical chains along the b axis. These are connected by π π interactions between benzene and phenyl rings [inter-centroid distance = 3.6648 (14) Å] resulting in the formation of a supramolecular layer in the bc plane.(3E)-3-(2,4-dinitrophenoxymethyl)-4-phenylbut- 3-en-2-one (2): the conformation about the C=C double bond [1.345 (2) Å] is E, with the ketonemoiety almost coplanar [C C C C torsion angle = 9.5(2) °] along with the phenyl ring [C C C C = 5.9 (2) °]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7) °]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O N C C = 4.2 (2) °], whereas the one in the ortho position is twisted [O N C C = 138.28 (13) °]. The molecules associate via C H O interactions, involving both O atoms from the 2-nitro group, to form a helical supramolecular chain along [010]. Nitro nitro N O interactions [2.8461 (19) Å] connect the chains into layers that stack along[001]. The docking results, using as a target the lethal factor (LF) of bacillus anthracis, show that both Compound 1 and 2 located themselves in the same cavity where the known inhibitor is located, and making most of the interactions this last one does with the amino acid residues that are important for the enzyme activity, so that it can be postulated that they can be also inhibitors. Moreover, Compound 1adopts a pose closer to that of the inhibitor whereas Compound 2 is rotated so that an important interaction is missed, this may indicate that this last one can be a less effective inhibitor than Compound 1.
Descoberta dinâmica, sensível ao contexto, de serviços web
(Universidade Federal de São Carlos, 2014-08-28) Silva, Victor Gomes da; Prado, Antonio Francisco do; https://lattes.cnpq.br/2668568143800755; https://lattes.cnpq.br/1888388000918745
Currently the Internet is one of the biggest media in the world, turning and accelerating forms of publishing and content consumption. At the same time, users have become more demanding for the content and the consumption of large amount of information that the Web provides. Since its inception, the Internet has gone through some phases, showing that the changes take place according to the requirements of users, such as the evolution of the Web to Web 2.0 which is marked by the interaction, collaboration and communication among users, who can publish and share their own content on the Internet. This reality has led to the need to build applications that support the large amount of information to users and different devices, arranged in multiple contexts of use, increasing the demand for software in Ubiquitous Computing, in which access to applications occurs anywhere, anytime and from different devices. The construction and maintenance of specific versions of applications for each context of use have become difficult due to the diversity of devices, users, access networks and other factors to be considered. Moreover, it is necessary for applications to be developed so that the compatibility of the contextual features of the environment in which they operate is maintained and does not impair the interaction of users. Motivated to overcome these challenges this work presents an architecture for Dynamic Discovery of Context-Sensitive Web Services that supports the creation of ubiquitous applications adaptive to different contexts. Applications driven by this architecture meet varying access networks in different contexts. The proposed architecture is based on the concepts of Service Oriented Architecture. The proposed architecture was evaluated with a case study and experimentation with users. The computational support that employs the proposed architecture has the advantage of discovering services at run time and can vary according to the context of the access network.
Consultas por similaridade e mineração de regras de associação: maximizando o conhecimento extraído de séries temporais
(Universidade Federal de São Carlos, 2014-08-28) Andrade, Claudinei Garcia de; Ribeiro, Marcela Xavier; https://lattes.cnpq.br/0300141044144026; https://lattes.cnpq.br/5690286318736653
A time series analysis presents challenges. There is a difficulty to manipulate the data by requiring a large computational cost, or even, by the difficulty of finding subsequences that have the same characteristics. However, this analysis is important for understanding the evolution of various phenomena such as climate change, changes in financial markets among others. This project proposed the development of a method for performing similarity queries in time series that have better performance and accuracy than the state-of-art and a method of mining association rules in series using similarity. The experiments performed have applied the proposed methods in real data sets, bringing relevant knowledge, indicating that both methods are suitable for analysis by similarity of one-dimensional and multidimensional time series.