Banca de QUALIFICAÇÃO: MATHEUS ALMEIDA DA SILVA

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
STUDENT : MATHEUS ALMEIDA DA SILVA
DATE: 31/07/2025
TIME: 09:00
LOCAL: Virtual
TITLE:

Modeling of the Chemical Looping Combustion Process of Glycerin: Kinetic Parameters Estimation and Simulation for a Fluidized Bed Reactor

KEY WORDS:

Chemical Looping Combustion; Parameter Estimation; Fluidized Bed Reactor; Heterogeneous Kinetics; Numerical Optimization.

PAGES: 28
BIG AREA: Engenharias
AREA: Engenharia Química
SUBÁREA: Operações Industriais e Equipamentos para Engenharia Química
SPECIALTY: Reatores Químicos
SUMMARY:

Chemical Looping Combustion (CLC) has emerged as one of the most promising technologies for energy generation with inherent CO₂ capture, enabling direct separation of combustion gases and high thermal efficiency. This work proposes the mathematical modeling and kinetic parameter estimation for glycerol combustion in a fluidized bed reactor, addressing critical knowledge gaps related to the use of residual liquid fuels in CLC systems. Glycerol, a byproduct of biodiesel production, is evaluated as an alternative fuel with potential for low-emission energy recovery. A total of 23 representative reactions were considered, encompassing nucleation-growth mechanisms of the Avrami-Erofeev type, irreversible reactions with reaction order dependence, and reversible reactions with equilibrium constants estimated through thermodynamic simulations using Aspen Plus. The resulting mathematical system comprises ordinary differential equations (ODEs) for the molar balances of gaseous species, coupled with partial differential equations (PDEs) representing axial concentration profiles in the bubble and emulsion phases of the bed. More than 90 kinetic parameters (𝐴, 𝐸𝑎, 𝑛, 𝑣, 𝐾𝑒𝑞) were estimated based on nine calibration experiments and seven cross-validation experiments, using three optimization strategies: nonlinear least squares, global optimization via differential evolution algorithms, and a hybrid sequential approach. The estimated parameters were incorporated into three sub-models: (a) a transient model for gas species in the emulsion phase, (b) a spatial model for species variation along the reactor height, and (c) a time-based model for solid conversion. The results demonstrated excellent agreement with experimental data under steady-state conditions, validating the proposed kinetic framework. The methodology developed enables reliable prediction of both the reaction and operational performance of CLC systems, supporting the design and optimization of units employing renewable liquid fuels.

COMMITTEE MEMBERS:
Presidente - 1584174 - DOMINGOS FABIANO DE SANTANA SOUZA
Interno - ***.656.434-** - CARLOS EDUARDO DE ARAÚJO PADILHA - UFRN
Externo à Instituição - DANIEL SILVEIRA LIRA - UFRN
Externo à Instituição - JUAN ALBERTO CHAVEZ RUIZ - ISI-ER