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Chemical systems engineering


The present project, structured around the theme "Chemical Systems Engineering" consolidates existing efforts directed towards the modeling, optimization and control of chemical processes of industrial significance. The primary research objectives of this thematic project are:(a) the development of new strategies and novel technologies for the modeling, optimization and control of industrial chemical processes (as well as complex chemical systems in general) and of integrated chemical plants;(b) the modeling and optimization of scheduling problems in the chemical process industry.One of the priorities associated with the first goal is the consolidation of a multidisciplinary approach to the problem of modeling and optimization, integrating recent advances in the prediction of the physical and chemical properties of materials (molecular modeling, semi-empirical quantum chemical calculations, quantitative structure-property free energy relationships -QSPR) with state-of-the-art engineering approaches such as neural network simulation, pioneered in the area of Chemical Engineering in Brazil by the LCSP/EP-USP. The other major priority is the development of new, more efficient mathematical algorithms for the optimization and control of large, complex, multivariate systems of relevance to the chemical industry. Ali new technology resulting from these research efforts will be transferred to the Brazilian chemical industry via existing cooperative channels. The research activities of the project will initially focus on the following specific studies:(1) optimization of petroleum refinery operation in conjunction with Petrobras, with a current target date of 2001 for practical implementation in the refinery; (2) development of strategies for optimization of scheduling and progressive integration of these strategies into overall chemical plant operation protocols (Petrobras; Oxiteno do Brasil);(3) modeling and optimization of industrial polymerization processes in conjunction with Rhodia (e.g., PVA/PVAc, Nylon-6,6) and development of strategies for the incorporation of information derived from molecular modeling, semi-empirical quantum chemical calculations, quantitative structure-property free energy relationships -QSPR into phenomenological models for these processes; (4) modeling and optimization of photochemical reactors for the treatment of industrial organic waste (photo-Fenton reactions applied to detoxification of wash water from phenolic resin plants). (AU)

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Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
PINTO‚ RTP; LINTOMEN‚ L.; LUZ‚ LFL; WOLF-MACIEL‚ MR. Strategies for recovering phenol from wastewater: thermodynamic evaluation and environmental concerns. Fluid Phase Equilibria, v. 228, p. 447-457, 2005.
SOTOMAYOR‚ O.A.Z.; ODLOAK‚ D. Observer-based fault diagnosis in chemical plants. CHEMICAL ENGINEERING JOURNAL, v. 112, n. 1, p. 93-108, 2005.

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