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

虽然我们的研究在直接碳氢聚合物电解质膜燃料电池（DH-PEMFC）的性能上取得了一些进展，但还有很多工作要做。 DH-PEMFC在能量效率（减少二氧化碳排放）和成本（初始成本和运行成本）方面与更传统的氢燃料电池相比具有优势。 在DH-PEMFC中，烃燃料发生电化学反应，而无需事先转化为其他化合物，如氢气。 我们取得了一些进展。 我们已经报道了（i）阳极过电位降低30%和（ii）当温度加热到200°C时保持电解质中质子传导性的燃料电池操作程序。 我们的项目同时使用计算（NSERC发现补助基金的申请）和实验（安大略政府基金）。 不同的燃料电池催化剂的速率常数正在使用密度泛函理论计算。 然后，速率常数中使用的燃料电池反应器，正在使用计算流体动力学构建的模型。 正在研究几个组件的几何形状和材料变更：催化剂（镍和银替代铂）、电解质（磷酸锆替代Nafion）、流场几何形状（叉指型替代蛇形）和流场材料（316不锈钢替代石墨）。 这些变化中的每一个都将降低燃料电池的初始成本。 如果性能、成本和耐用性能够达到一定的规格，那么DH-PEMFC可以取代现有的技术。 实施DH-PEMFC技术的最终效果将是减少化石燃料的使用，以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.