One‐Dimensional Pseudo‐Homogeneous Packed‐Bed Reactor Modeling: I. Chemical Species Equation and Effective Diffusivity

Abstract

Packed-bed reactor experimentation is a key tool used in order to formulate chemical kinetics. The chemical species equation and overall methodology are described for a one-dimensional pseudo-homogeneous packed-bed reactor model useful for experimental calibration of chemical kinetics. Over the history of simulation development for this equation there exist numerous different effective diffusivity correlations. The included historical review and parametric study of these correlations help to determine the correct choice based on numerical simplicity and model outcomes. A subsequent review paper describes the energy equation and effective thermal conductivity correlations while coming to a generalized conclusion regarding modeling efforts.

Modelling and Dynamic Simulation of One-Dimensional Isothermal Axial Dispersion Tubular Reactors with Power Law and Langmuir-Hinshelwood-Hougen Watson Kinetics

“…Although the foregoing model is for an empty tubular reactor, the pseudo-homogeneous model case implies that the same model can be applied to a packed-bed reactor where there are no fluid-tocatalyst particle mass and/or heat transfer resistances or they are considered small. Pseudohomogeneous tubular reactor models are widely employed in the literature to simulate, design/optimize and control catalytic fixed bed reactors [29][30][31][32][33][34][35][36][37][38][39][40]. This is because pseudohomogeneous models are much simpler to use for simulation, optimization or control design since the inter-and intra-particle resistances are neglected.…”

Energy efficiency of a direct-injection internal combustion engine with high-pressure methanol steam reforming

“…Radial gradients within the PBR were assumed to be negligible. The above approximations are commonly used and can give good simulation results under the operating conditions considered in this work [25]. Reaction kinetics was modeled using the rate expressions suggested by Peppley [12] based on his development of a LangmuireHinshelwood mechanistic model:…”

“…2) were taken from Ref. [25]. The convection coefficient for the heat transfer between the reformer wall and the exhaust gases was taken from Ref.…”

Modelling and simulation of wood chip combustion in a hot air generator system

“…This method is used for both homogeneous and heterogeneous bed models (as separate properties for solid and gas phases). In some models, radiation effect is also lumped into the effective thermal conductivity (Jurena 2012 ; Sirinivasan 2011 ), while others were used separate radiation models (Yang et al 2005a ). However, most of the combustion models have used correlations from Wakao and Kaguei ( 1982 ) and Bird et al ( 2002 ).…”