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Development of 3D CFD model of compact steam methane reforming process for standalone applications

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Abstract

The demand for sustainable energy has increased with growing concerns of environmental damage. H2 has attracted considerable attention as a clean and renewable energy carrier that can be used in fuel cells. Industrial H2 has been manufactured to produce synthetic gas in large-capacity plants using steam methane reforming (SMR). However, a compact H2 production system is needed that maintains production efficiency on a small scale for fuel cell applications. In this study, a three-dimensional computational fluid dynamics model of a compact steam reforming reactor was developed based on the experimental data measured in a pilot-scale charging station. Using the developed model, one can predict all the compositions of the reformate produced in the reactor and simultaneously analyze the temperatures of the product, flue gas, and the reaction tube. Therewith, case studies were conducted to compare the H2 production performance of the eight different structures and sizes of the proposed reformer. Based on the results, a design improvement strategy is proposed for an efficient small-scale SMR process.

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Abbreviations

a:

radiation absorption coefficient [1/m]

Ai :

pre-exponential factor of rate coefficient ki

Cp :

heat capacity at constant pressure [J/kg·K]

D p :

diameter of catalyst particle [m]

Dm :

mass diffusion coefficient [m2/s]

DT :

thermal diffusion coefficient [m2/s]

Ei :

activation energy [kJ/mol]

g:

gravitational acceleration [m/s2]

gi :

gravitational vector in the ith direction

h:

enthalpy [J/kg]

h0 :

enthalpy of formation [J/kg]

I:

radiation intensity [W/m2·sr]

J:

diffusion flux [kg/m2·s]

k:

turbulent kinetic energy [m2/s2]

k1, k3 :

rate coefficient [kmol bar1/2/kg·h]

k2 :

rate coefficient [kmol/kg·h·bar]

\({{\rm{K}}_{C{H_4}}},{{\rm{K}}_{CO}},{{\rm{K}}_{{H_2}}}\) :

adsorption constant [bar−1]

\({{\rm{K}}_{{H_2}O}}\) :

dissociative adsorption constant

M:

molecular weight [kg/kmol]

n:

refractive index

Pj :

partial pressure of component j [bar]

Prt :

turbulent Prandtl number

R:

gas constant [kJ/kmol-K]

Rj :

volumetric rate of creation of species j

r:

refractive index of the medium

r1, r2, r3 :

rate of reaction rate [kmol/kg·h]

Sct :

turbulent Schmidt number

S ij :

mean rate of the strain tensor [1/s]

T:

temperature [K]

u:

velocity [m/s]

v:

velocity [m/s]

Vs :

superficial velocity [m/s]

x:

length [m]

Y:

mass fraction of component

α :

permeability [m2]

β :

coefficient of thermal expansion [1/K]

ε :

turbulent dissipation rate [m2/s3]

γ :

porosity

μ :

dynamic viscosity [Pa·s]

μt :

turbulent viscosity [kg/m·s]

Ω′ :

solid angle [rad]

ρ :

mass density of a gas mixture [g/cm3]

σ :

Stefan-Boltzmann constant [5.672×10−8 W/m2·K4]

σ k, σ ε :

turbulent Prandtl number

σ s :

scattering coefficient [1/m]

\({\bar \tau }\) :

stress tensor [Pa]

τ :

shear stress [Pa]

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Authors and Affiliations

  1. School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, 1, Gwanak-ro, Gwanak-gu, Seoul, 08826, Korea

    Ja-Ryoung Han & Jong Min Lee

  2. KOGAS Research Institute, Korea Gas Corporation, 1248, Suin-ro, Sangnok-gu, Ansan, Gyeonggi-do, 15328, Korea

    Ja-Ryoung Han

  3. Engineering Development Research Center, Seoul National University, 1, Gwanak-ro, Gwanak-gu, Seoul, 08826, Korea

    Shinje Lee

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  1. Ja-Ryoung Han
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  2. Shinje Lee
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Correspondence to Shinje Lee or Jong Min Lee.

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Han, JR., Lee, S. & Lee, J.M. Development of 3D CFD model of compact steam methane reforming process for standalone applications. Korean J. Chem. Eng. 39, 1182–1193 (2022). https://doi.org/10.1007/s11814-021-1029-4

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  • DOI: https://doi.org/10.1007/s11814-021-1029-4

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