1. Update from the CACHE Fuel Cell Task Force Jason Keith 1, Michael Gross 2 H. Scott Fogler 3, Don Chmielewski 4 1 Michigan Technological University 2 Bucknell University 3 University of Michigan 4 Illinois Institute of Technology

2. Outline Introduction and Motivation What is in each module? Where are the modules? What are the modules? Details of kinetics modules –Computationally-focused Conclusions / Acknowledgments

3. Introduction and Motivation Alternative energy component missing from many departments Fuel Cells have been discussed in the political arena as an alternative energy solution –Need to educate ChE’s in this area Growth in number of fuel cell textbooks –Most do not have homework problems –Fuel cell / hydrogen applications are not discussed in core ChE texts –Modules can rapidly infuse new technologies into the Chemical Engineering Curriculum

4. What is in each module? Most applicable ChE course Reference to related sections of ChE texts Problem motivation Background Example problem statement Example problem solution Home problem statement Home problem solution

5. Where are the modules? Current beta test website: http://www.chem.mtu.edu/~jmkeith/fuel_cell_curriculum or http://tinyurl.com/fuelcellcurr Available for use by anyone! Contact jmkeith@mtu.edu to get password for solutions

6. What are the modules? Introductory Material –Overview of Hydrogen Energy and Fuel Cells –Fuel Cell Calculator Mass and Energy Balances (4) Thermodynamics (5) Fluid Mechanics (2 + COMSOL modules) Heat and Mass Transport (3 + COMSOL) Kinetics and Reaction Engineering (6 + COMSOL) Separations (4)

7. View of Module Homepage

8. Fuel Cell Calculator http://tinyurl.com/FCabacus Input boxes: number of cells, stack current, and fuel cell cross-sectional area Adjust parameters to move a point along a polarization plot and power density plot Calculated parameters include voltage, power, and hydrogen consumption rate

9. Kinetics and Rxn Engineering Modules Tafel Equation and Fuel Cell Kinetic Losses Hydrogen Adsorption and Catalyst Surface Coverage Pressure Drop in a Water-Gas Shift Reactor Water Gas Shift Reaction in a Palladium Membrane Reactor Equilibrium Simulation of a Methane Steam Reformer Simulation of a Methane Steam Reforming Reactor

10. Tafel Equation Given the hydrogen electrode voltage drop as a function of current, determine the parameters in the Tafel Equation and use them to perform some basic fuel cell calculations.

11. Hydrogen Adsorption and Catalyst Surface Coverage Given the mechanism for hydrogen adsorption determine the surface coverage on a platinum catalyst. Tafel rxn: H 2 + 2 S ↔ 2 H  S Volmer rxn: H  S ↔ H + + S + e - Figure 4a. Hydrogen molecule in presence of vacant sites. Figure 4b. Adsorbed Hydrogen. Figure 4c. Desorbed products. H H H H + 

12. Pressure Drop in WGS Reactor Use the Ergun equation to determine the pressure drop within a water-gas shift reactor. CO + H 2 O ↔ CO 2 + H 2 Note that this reactor has no change in moles. Assuming isothermal operation, it is straightforward to use the Ergun equation to calculate the pressure drop in the reactor.

13. WGS Reaction in Pd Membrane Reactor Develop a numerical model to predict the conversion and hydrogen yield within a membrane reactor.

14. Equilibrium in Steam Reforming Determine the equilibrium conversion in a methane steam reformer as a function of temperature. CH 4 + H 2 O ↔ 3 H 2 + CO CO + H 2 O ↔ H 2 + CO 2

15. Simulation of Steam Reforming Reactor Develop a numerical model to predict the conversion and hydrogen yield within a steam reforming reactor. CH 4 + H 2 O ↔ 3 H 2 + CO CO + H 2 O ↔ H 2 + CO 2

16. Future Directions Work with AIChE Energy Advisory Board on Energy Modules for ChE Curriculum CACHE Energy Modules Committee: –David Allen and Tom Edgar (UT Austin) –Scott Fogler (U Michigan) –Gavin Towler (UOP) –Jason Keith (MTU) Focus Areas: –Wind Energy, Solar Energy, Clean Coal Energy, Geothermal Energy, Biofuels, Nuclear Energy, Wave Energy Microgrids, etc. –Contact jmkeith@mtu.edu with ideas or interest to participate

17. Conclusions / Acknowledgments Fuel Cell Modules are for your use! Contact one of the authors to participate Acknowledgments of Partial Support: –CACHE Corporation –JMK: DOE(DE-FG02-04ER63821 and DE-FG36- 08GO18108), NSF(DMI-0456537), and the Michigan Space Grant Consortium –DJC: Argonne National Laboratory –HSF: Vennema Professorship and Thurnau Professorship http://tinyurl.com/mtuh2ed