Abstract
A validated multi-domain 1D particle-reactor model has been
developed to simulate packed bed reactor operation. Two main
components of the model are: (1) a particle model for
simulating the radial distribution of chemical species and
temperature within the catalyst particles and (2) a 1D reactor
model for solving mass and energy transport along the length
of the reactor. The model captures the effect of intra-particle
heat and mass transfer phenomena on the reactor performance.
Its efficacy and usability is evaluated using a thorough
verification and validation campaign. Validation has been
carried out through comparisons to analytical solutions for: (a)
the transient thermal response of the fixed bed to a step-change
in inlet feed temperature and for (b) the maximum temperature
rise during an exothermic oxidation process in a chemical
looping combustion (CLC) operation. Further, its performance
has been verified with two well-established solvers (a 1D Euler-
Euler packed bed model developed in ANSYS FLUENT and a
previously published 1D model) for simulating a realistic
500kW cyclic packed bed chemical looping combustion system
involving dynamic fuel-air cycling. This successful verification
demonstrates the ability of the model to simulate complex
cyclic packed bed reactor processes involving stiff kinetics in
an efficient manner. Further, significance of particle model is
evaluated for mass transfer limiting condition and this
reinforces the advantage of using the proposed 1D particlereactor
model in such cases.
developed to simulate packed bed reactor operation. Two main
components of the model are: (1) a particle model for
simulating the radial distribution of chemical species and
temperature within the catalyst particles and (2) a 1D reactor
model for solving mass and energy transport along the length
of the reactor. The model captures the effect of intra-particle
heat and mass transfer phenomena on the reactor performance.
Its efficacy and usability is evaluated using a thorough
verification and validation campaign. Validation has been
carried out through comparisons to analytical solutions for: (a)
the transient thermal response of the fixed bed to a step-change
in inlet feed temperature and for (b) the maximum temperature
rise during an exothermic oxidation process in a chemical
looping combustion (CLC) operation. Further, its performance
has been verified with two well-established solvers (a 1D Euler-
Euler packed bed model developed in ANSYS FLUENT and a
previously published 1D model) for simulating a realistic
500kW cyclic packed bed chemical looping combustion system
involving dynamic fuel-air cycling. This successful verification
demonstrates the ability of the model to simulate complex
cyclic packed bed reactor processes involving stiff kinetics in
an efficient manner. Further, significance of particle model is
evaluated for mass transfer limiting condition and this
reinforces the advantage of using the proposed 1D particlereactor
model in such cases.