Simulation of direct hydrocarbon fuel cells having high temperature membranes, interdigitated flow fields, and multi-functional catalysts

虽然我们的研究已经在直接碳氢聚合物电解质膜燃料电池的性能方面取得了一些改进，但仍有很多工作要做。与更传统的氢燃料电池相比，氢质子交换膜燃料电池在能源效率(减少二氧化碳排放)和成本(初始成本和运营成本)方面都具有优势。在氢-质子交换膜燃料电池中，碳氢燃料在没有事先转化为氢等其他化合物的情况下进行电化学反应。我们已经取得了一些进展。我们已经报告了(I)阳极过电位降低了30%，(Ii)燃料电池的操作程序在温度被加热到200°C时保持电解液中的质子导电性。我们的项目使用了计算(该申请适用于NSERC Discovery Grant基金)和实验(安大略省政府基金)。用密度泛函理论计算了不同燃料电池催化剂的速率常数。然后将速率常数用于正在使用计算流体力学构建的燃料电池反应堆的模型中。目前正在研究几个部件的几何结构和材料的变化：催化剂(镍和银取代铂)、电解液(磷酸锆取代Nafion)、流场几何结构(交叉型取代蛇纹石)和流场材料(316不锈钢取代石墨)。这些变化中的每一个都将降低燃料电池的初始成本。如果能在性能、成本和耐用性方面达到一定的要求，那么双氢质子交换膜燃料电池就可以取代现有的技术。实施氢-质子交换膜燃料电池技术的最终结果将是使用更少的化石燃料来产生一定数量的电力，并延长化石燃料储备的寿命。

Although our research has made some improvements in the performance of direct hydrocarbon polymer electrolyte membrane fuel cells, DH-PEMFCs, there is much more to be done. DH-PEMFCs have advantages in energy efficiency (that diminishes carbon dioxide emissions) and in cost (both initial cost and operating cost) when compared to more conventional hydrogen fuel cells. In DH-PEMFCs the hydrocarbon fuel reacts electrochemical without prior conversion to other compounds such as hydrogen. We have made some progress. We have reported (i) a 30% decrease in the anode overpotential and (ii) a fuel cell operating procedure that maintains proton conductivity in the electrolyte when the temperature is heated to 200°C. Our project uses both computations (this application for NSERC Discovery Grant funds) and experiments (Ontario government funds). Rate constants for different fuel cell catalysts are being calculated using density functional theory. Then the rate constants are used in a model of the fuel cell reactor that is being constructed using computational fluid dynamics. Changes to the geometry and materials of several components are being investigated: catalysts (nickel and silver replace platinum), electrolyte (zirconium phosphate replaces Nafion), flow field geometry (interdigitated replaces serpentine), and flow field materials (316 stainless steel replaces graphite). Each of these changes will diminish the initial cost of the fuel cell. If certain specifications for performance, cost, and durability could be achieved, then DH-PEMFCs could replace the existing technologies. The ultimate effect of implementing DH-PEMFC technology would be that less fossil fuel would be used to generate a given amount of electrical power, and the lifetime of fossil fuel reserves would be extended.