Estimation of kinetic coefficients in micro-reactors for biodiesel synthesis: Bayesian inference with reduced mass transfer model
| Autor: | Carolina P. Naveira-Cotta, Jose Martim Costa |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
Micro-reactor
020209 energy General Chemical Engineering 02 engineering and technology Bayesian inference symbols.namesake 020401 chemical engineering Mass transfer 0202 electrical engineering electronic engineering information engineering Statistical inference Applied mathematics 0204 chemical engineering Mathematics CIENCIAS EXATAS E DA TERRA::FISICA::AREAS CLASSICAS DE FENOMENOLOGIA E SUAS APLICACOES::DINAMICA DOS FLUIDOS [CNPQ] Mathematical model Markov chain Monte Carlo General Chemistry Inverse problem Kinetic coefficients Nonlinear system Lumped-differential formulation Biodiesel production symbols Biodiesel |
| Zdroj: | Repositório Institucional da UFRJ Universidade Federal do Rio de Janeiro (UFRJ) instacron:UFRJ |
| Popis: | Submitted by Jairo Amaro (jairo.amaro@sibi.ufrj.br) on 2019-05-24T17:20:03Z No. of bitstreams: 1 2-2019_Estimationofkineticcoefficients-min.pdf: 1418747 bytes, checksum: 83065db54068bc775d3aaf96360597ac (MD5) Made available in DSpace on 2019-05-24T17:20:03Z (GMT). No. of bitstreams: 1 2-2019_Estimationofkineticcoefficients-min.pdf: 1418747 bytes, checksum: 83065db54068bc775d3aaf96360597ac (MD5) Previous issue date: 2018-11-23 Indisponível. High yields in the production of biodiesel at very short residence times can be obtained by means of micro-reactors technology. The theoretical study of the reaction mechanisms involved in biodiesel synthesis in micro-reactors is crucial in achieving adequate design conditions towards maximizing biodiesel production. Such a physico-chemical phenomenon involves complex liquid–liquid flow and mass transfer processes, besides the transesterification reaction, and the determination of the kinetic coefficients is essential in using the mathematical models for the design of the micro-reactors. In this work, a nonlinear coupled mathematical model of first-order ordinary differential equations has been developed, using the Coupled Integral Equations Approach (CIEA) for model reduction, starting from a diffusive-convective-reactive three-dimensional mathematical model that describes the local species concentrations involved in the biodiesel synthesis. The ODEs system is numerically solved using the NDSolve routine of the Mathematica platform. The Markov Chain Monte Carlo method (MCMC) is employed in solving the inverse problem to estimate the kinetic coefficients, using synthetic experimental data with low conversion rates, which maximize the presence of intermediate species and increase the sensitivity of the problem to the desired parameters. The results presented indicate that the CIEA in combination with the MCMC statistical inference yield an efficient and robust combination for the direct - inverse analysis of such reactive mass transfer problems. |
| Databáze: | OpenAIRE |
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