The Infinite Dimensional
State-Space (IDEAS) conceptual framework
is put forward as an intensification tool for the synthesis of globally
optimal, multipressure, reactive, azeotropic, distillation networks.
To this end, a unit operation model is proposed for reactive vapor–liquid
equilibrium flash separators employed as network building blocks,
and the concepts of reactive holdup and capacity are introduced as
network performance metrics. The method is demonstrated on a case
study involving MTBE production using multipressure reactive distillation
of methanol/isobutene/MTBE azeotropic mixtures. The globally optimal
solutions for the minimum total reactive holdup, minimum total flow,
and minimum capacity problems are obtained for a dual-pressure reactive
distillation process operating simultaneously at 1.0 and 5.0 atm.
For the problem of minimum capacity, the global optimum is found to
have both reaction and pressure swing features, indicating those are
complementary rather than competing technologies for process intensification
purposes.
This work investigates the influence
of porous catalyst structural parameters on a packed bed reactor’s
performance, through the application of a multiscale reactor model.
Constitutive equations, at the catalytic pellet and packed bed reactor
length scales, are derived using the Reynolds transport theorem. Diffusive
fluxes in the microscale (catalytic pellet) and macroscale (reactor)
domains are calculated using the dusty gas model (DGM) and Stefan–Maxwell
model (SMM) equations respectively, while Chapman–Enskog theory
is applied to estimate diffusion and viscosity coefficients. Simulations
are carried out for a case study on hydrogen production through steam
methane reforming, using a finite element numerical scheme. The employed
multiscale model enables the computation of catalyst effectiveness
factors throughout the reactor, thus quantifying the effect on reactor
performance of various catalyst structural characteristics, such as
volumetric fraction, tortuosity, thermal conductivity, and mean pore
diameter.
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