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Nicole Reed Department of Energy and Mineral Engineering EGEE 520 Penn State University

COMSOL Modeling of Liquid Flow Through a Fixed-Bed Packed Reactor for Adsorptive Desulfurization. Nicole Reed Department of Energy and Mineral Engineering EGEE 520 Penn State University April 29, 2008.

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Nicole Reed Department of Energy and Mineral Engineering EGEE 520 Penn State University

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  1. COMSOL Modeling of Liquid Flow Through a Fixed-Bed Packed Reactor for Adsorptive Desulfurization Nicole Reed Department of Energy and Mineral Engineering EGEE 520 Penn State University April 29, 2008

  2. Desulfurization approaches require severe conditions and are not suitable for fuel cell applications • Hydrodesulfurization (HDS) • High Temp (300-350 °C) • High Pressure of H2 (30-40 bar) Selective Adsorption(SARS) is achieved at ambient pressure and temperature without hydrogen

  3. 1 1 A fixed-bed continuous flow system measures the performance of adsorbents for various fuels 2 3 0.2513 g Fuel samples collected at regular intervals Samples weighed Fixed-bed reactor Amount of Treated Fuel HPLCPump Fuel (X ppm S) C = C0

  4. This study focuses on liquid fuel flow through a packed bed Packed Bed: Activated Carbon Porosity(ε) = 0.6 (experimental) Permeability(κ) = 1.88x10-11 m2 Fixed-bed reactor Volume = 2.49 mL Length = 0.15 m Width = 0.0025 m Fuel Diesel Fuel Density = 800 kg/m3 Flow Rate = 0.05 ml/min  0.0005 m/s

  5. Darcy’s Law describes flow through porous medium in terms of head gradients • Darcy’s Law:

  6. Boundary Conditions 2-D Axial Symmetry r = 0.0025 m Insulation BC h = 0.15 m Inflow/Outflow = 0.005 m/s

  7. Solution Outflow = 0.0005 m/s ΔP = 0.975 atm Inflow = 0.0005 m/s ΔP = 1.069 atm

  8. Validation Darcy’s Law Column Length From COMSOL Solution: Maximum Pressure - Minimum Pressure = Pressure Drop 1.069 – 0.974 = 0.095 atm

  9. Parametric Study Particle Size  Permeability • How does particle size and fuel flow rate affect the pressure drop? 50, 5, and 0.5 microns Fuel flow rate  Velocity 0.05, 0.20, and 1.0 ml/min

  10. Summary • COMSOL can effectively model packed bed reactors • with the following parameters: • Adsorbent: porosity, particle size, density • Fuel: flow rate, density Particle size and fuel flow rate affect pressure drop across small reactors COMSOL can be used to find limits for scale-up models and other reactor designs THANK YOU!

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