Responsible: Prof. Dirceu Noriler
Email: dnoriler@unicamp.br
In 1984, the Laboratory of Modeling and Simulation of Chemical Processes (LMSPQ), currently known as the Laboratory of Research in Chemical Processes and Business Management (PQGe), was established at the former Faculty of Engineering of Campinas, UNICAMP. Since its inception, the laboratory has focused on conducting applied research projects in partnership with the chemical industry – a long-standing dream of integration between industry and academia. The track record of LMSPQ demonstrates the feasibility of this integration in its research activities. The first three projects carried out in the laboratory were funded by CNPq and FAPESP. Over the years, the laboratory has secured financial resources for the execution of over 50 projects, many of which were funded by companies such as Petrobras, Basf, Rhodia, Ripasa S.A., and Votorantim. PQGe has contributed to the training of new researchers in cutting-edge technology areas, such as neural networks applied to chemical and biotechnological processes, and Computational Fluid Dynamics in chemical processes.
In the mid-2005s, leveraging the expertise of several courses under the responsibility of Prof. Dr. Milton Mori, the founder of PQGe, in the areas of marketing, companies, and services, the laboratory invested in the field of business management, fostering the creation of a new area within PQGe, under the coordination of researcher Dr. Liliane de Queiroz Antonio. The area of business management consolidated projects with Votorantim Cimentos, such as the Digital Inclusion Project in the Cement Manufacturing Value Chain, the Knowledge Taxonomy Project related to the Cement Manufacturing Process and Knowledge Management, and the Research and Development Project and Training of Professionals for the Cement Industry.
Currently, with the retirement of Prof. Dr. Milton Mori, the laboratory is coordinated by Prof. Dr. Dirceu Noriler. Development and improvement of processes in the areas of petroleum refining and production of nanoparticles and nanomaterials are carried out, with a focus on the application of Computational Fluid Dynamics.
The Laboratory of Research in Chemical Processes and Business Management (PQGe) values partnerships with private companies, state-owned enterprises, and Brazilian and international universities as part of its research activities. We seek partnerships in the field of modeling and simulation of chemical processes using Computational Fluid Dynamics (CFD).
Among our partner companies, Petrobras is responsible for a significant portion of the investment in infrastructure and the training of undergraduate, master’s, and doctoral students in the laboratory. Since its establishment, partnerships with Petrobras/Cenpes and Petrobras/SIX have aimed at conducting research related to cyclones, risers, regenerators, and projects for the feasibility of Fischer-Tropsch reactors. In addition to Petrobras, the laboratory has collaborated on projects with companies such as BASF, Votorantim Cimentos, Ripasa, and Greco-Enfil Equipamentos Termoindustriais Ltda.
For research purposes of common interest, the team also maintains close relationships with the University of São Paulo, the Regional University of Blumenau, the Federal University of Uberlândia, and the University of Bremen (Germany).
Finally, to maintain and develop both the laboratory’s infrastructure and its team, funding from funding agencies is of paramount importance. Currently, the agencies CAPES, CNPq, FAPESP, and FAEPEX have provided support for the group’s research.
The Laboratory of Research in Chemical Processes and Business Management (PQGe) has been contributing to the training of human resources in the application of Computational Fluid Dynamics (CFD) in Process Engineering. It focuses its research activities on “Reactive Multiphase Flows” with a particular emphasis on the production, handling, and conditioning of dispersed phases in the form of gas, liquid, or solid, such as powders, particles, droplets, and bubbles. Specifically, it involves the modeling and simulation of processes that exhibit strong interaction at the interface between the dispersed phase and the surrounding fluid, characterized by simultaneous transfer of mass, momentum, heat, and mass.
Important applications in this area that have gained attention from PQGe researchers include processes involving the spraying and atomization of complex liquids for the production of metallic powders, particle agglomeration, and coating. The study of particulate systems has preferred applications in pneumatic transport, fluidization, and fixed beds. Bubble columns are also a focus of the research group.
The sectors that incorporate reactive multiphase flow processes, in which the PQGe research team has expertise, include the Oil & Gas sector, with a tradition of developing projects in petroleum refining, especially Fluid Catalytic Cracking (FCC) and Hydroprocessing (HDT); Renewable Energy and Energy Transition, such as the ethyl route or biomass pyrolysis; and lastly, the development of nanomaterials and microdevices, such as the production of metallic nanoparticle catalysts or the application of microfluidic devices in clinical analysis.
Additionally, PQGe has a fundamental research line that seeks to identify, through detailed numerical simulations and experimental tests, phenomenological aspects of the interactions between discrete entities (bubbles, droplets, and particles) with each other and with the surrounding fluid in order to understand and improve their constitutive models.
The Laboratory of Research in Chemical Processes and Business Management (PQGe) at UNICAMP has an infrastructure suitable for the scientific activities carried out, as well as highly qualified human resources with expertise in their respective fields.
PQGe has two computational research environments, totaling 200m², dedicated to conducting computer-based research activities. Additionally, there is a physical experimentation area covering 60m² for conducting experimental research.
Hardware:
Software:
Measuring devices:
Bench Experiments:
Mathematical modeling and numerical simulation of reactive multiphase flows:
The overall objective of this project, in the context of applied research, is to carry out activities aimed at advancing scientific understanding of phenomena associated with reactive multiphase flows under turbulent conditions, guided by industrial interests. By combining numerical simulation and physical representation of phenomena on a reduced scale, the project aims to validate mathematical models that guide the development of diagnostics for operational anomalies and alternatives for process performance improvements, accelerating the connection between scientific activities and technological application of the results.
Simulation of turbulence at large scales and composition model for nanoparticle production via flame spray pyrolysis
Nanostructured materials have attracted interest due to their unique characteristics desired in various application areas such as catalysis, pigmentation, pharmaceuticals, and food. When compared to other techniques, Flame Spray Pyrolysis (FSP) has the potential for efficient and cost-effective production of high-purity nanoparticles with a narrow size distribution. Scaling up this process, as well as its utilization in the production of new materials, requires a comprehensive understanding of the involved phenomena, and validated mathematical models are crucial for that. Previous studies have already presented models capable of providing results regarding flame temperature and particle size distribution using population balances. However, it cannot yet be considered that the FSP process is fully understood. Therefore, a first step is to increase the resolution at which turbulence is resolved to achieve greater accuracy in the mathematical description. Additionally, a model capable of predicting the composition of multicomponent nanoparticles produced through dual flame FSP is not yet available. This project aims to address these issues by using Computational Fluid Dynamics (CFD) techniques coupled with multivariate population balances, with a focus on the use of open-source codes. A systematic analysis of the influence of different process parameters and methods for solving the population balance equation is also targeted. This proposal continues the research line on synthesis and applications of metal oxide nanoparticles at the School of Chemical Engineering at the State University of Campinas and strengthens the international cooperation between this institution and the University of Bremen in Germany. At the end of this project, publications in international journals and conferences are expected.
Funding Agency: FAPESP
Evaluation of FCC riser internals through numerical analysis using a structure-oriented lumping (SOL) kinetic approach coupled with computational fluid dynamics (CFD) techniques
The main objective of this project is to develop a methodology that incorporates the development of structure-oriented lumping (SOL) kinetic mechanisms coupled with CFD techniques to determine the effect on the performance of FCC riser internals under the main generated products.
Funding Agency: ANP/PETROBRAS
Simulation of selective hydrogenation units (SHU) using computational fluid dynamics (CFD) techniques on an open-source platform
The objective of this work is to model the reactive multiphase flow inside industrial reactors of selective hydrogenation units (SHU) and develop a solution methodology based on the open-source computational fluid dynamics (CFD) platform OpenFOAM. The mathematical model will be based on an Eulerian-Eulerian approach in a porous medium, where the resistance exerted by the porous medium on the gas-liquid flow is incorporated into the model through a semi-empirical resistive force of the Ergun’s Law type. Gas-liquid heat and mass transfer will be considered, while the effects of internal and external mass transfer on chemical reactions will be accounted for through the concept of effectiveness. Thermodynamic quantities will be calculated using cubic equations of state, and the real mixture will be represented by a mixture of surrogate species. By the end of this project, the aim is to model and implement the reactive multiphase system present in the hydroprocessing reactors of complex oil processing using an open-source computational code platform, providing the oil and natural gas sector with a cost-free computational methodology for process analysis and simulation.
Funding Agency: ANP/PETROBRAS
Studies on atomization and sprays systems for industrial applications
Coordinated research activities are proposed in the form of exchange programs for doctoral and postdoctoral researchers who will conduct experimental and computational research with the aim of contributing to the field of atomization and spray systems for industrial applications.
Funding Agency: CAPES/DAAD
Pedro Elias Muniz Peres.
Study of the Influence of the Inlet Distributor in Trickle Bed Reactors Used in the Selective Hydrogenation of Diolefins in Naphtha via Computational Fluid Dynamics. 2022. Dissertation (Master’s in Chemical Engineering) – State University of Campinas.
Fabio Henrique Bastiani.
Modeling and Simulation of Carbon Black Formation in FSP Reactors. 2022. Dissertation (Master’s in Chemical Engineering) – State University of Campinas.
Breno Ribeiro Mascarenhas.
Analysis via CFD of Single-phase and Two-phase Gas-Liquid Flow through Orifice Plates. 2021. Dissertation (Master’s in Chemical Engineering) – State University of Campinas.
Millene Prado.
Analysis of the Particle Size Distribution of Carbon Black Produced in FSP Reactors. 2020. Dissertation (Master’s in Chemical Engineering) – State University of Campinas, Fund for Support to Teaching, Research, and Extension.
Felipe Queiroz Mendes.
Modeling and Simulation of Polydisperse Gas-Solid Systems: High-Loading Cyclones. 2019. Dissertation (Master’s in Chemical Engineering) – State University of Campinas.
Fernanda Dassiê Rangel.
Polydispersity of Nanoparticles Produced by Flame Spray Pyrolysis Subjected to Simultaneous Nucleation, Agglomeration, and Sintering by Solving a Bivariate Population Balance Equation. 2019. Dissertation (Master’s in Chemical Engineering) – State University of Campinas.
Alcino Antunes da Silva Neto.
Mathematical Modeling of the Partial Hydrogenation Reaction of Benzene in Liquid Phase in the Presence of Ru/alpha-Al2O3 Catalysts. 2019. Dissertation (Master’s in Chemical Engineering) – State University of Campinas.
Celso Murilo dos Santos.
Numerical-Experimental Study of Frequency Analysis in Gas-Liquid Flow in Pipes and Heat Exchangers. 2020. Thesis (Ph.D. in Chemical Engineering) – State University of Campinas.
Arthur Lobato Silva Carvalho.
Mathematical modeling and numerical simulation of polyethylene and polypropylene polymerization reactors using Computational Fluid Dynamics tools. Start: 2023. Dissertation (Master’s in Chemical Engineering) – University of Campinas.
Gilberto Ribeiro Pinto Júnior.
Multiphase modeling of oil tanks. Start: 2022. Dissertation (Master’s in Chemical Engineering) – University of Campinas.
Fabio Henrique Bastiani.
On the Droplet Size Distribution Produced by Atomizer Nozzles Used in Flame Spray Reactors. Start: 2022. Thesis (Ph.D. in Chemical Engineering) – University of Campinas, National Council for Scientific and Technological Development. (Advisor).
Elmar Anton Schnorr.
Mathematical Modeling Based on Computational Fluid Dynamics of Biomass and Solid Waste Gasification. Start: 2022. Thesis (Ph.D. in Chemical Engineering) – University of Campinas.
Anna Luísa Ribeiro Miguel.
1D Modeling and Simulation of FCC Riser Reactors. Start: 2022. Thesis (Ph.D. in Chemical Engineering) – University of Campinas.
Pedro Bianchi Neto.
Advancements in Modeling and Simulation of Nanoparticle Production via FSP. Start: 2021. Thesis (Ph.D. in Chemical Engineering) – University of Campinas.
Bruna Iten Bittelbrunn.
Development of Microfluidic Biosensor through Numerical Simulation. Start: 2020. Thesis (Ph.D. in Chemical Engineering) – University of Campinas.
Felipe Queiroz Mendes.
Analysis of Particle Polydispersity in Fluidized Beds using Computational Fluid Dynamics: The Case of FCC Regenerator. Start: 2019. Thesis (Ph.D. in Chemical Engineering) – University of Campinas.
Nadine Zandoná Rafagnim.
Modeling and Simulation of Multicomponent Nanoparticle Production in Dual Flame FSP Reactors. Start: 2018. Thesis (Ph.D. in Chemical Engineering) – University of Campinas.
DANTAS, T. S. S. ; SOCCOL, R. ; COSTA, K. K. ; NORILER, D. . Reconstrução Molecular Estendida para Gasóleo Nacionais (RMEGN). 2020.
Patente: Programa de Computador. Número do registro: BR512020002910-8, data de registro: 01/12/2020, título: “Reconstrução Molecular Estendida para Gasóleo Nacionais (RMEGN)” , Instituição de registro: INPI – Instituto Nacional da Propriedade Industrial.
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