PEMFC流场与电池性能的模拟研究
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摘要
质子交换膜燃料电池(简称PEMFC)以其高效率、高能量密度、低污染等优点被认为是一种适合人类发展和环境要求的理想电源。流场板是PEMFC的重要部件,极大地影响电池的性能、运行效率和制造成本。流场板的流道结构基本组成要素为流道的长、宽、高和脊宽以及流道形式,本研究建立了不同的数学模型以深入研究电池内部的传递过程以及诸要素因素对电池性能和效率的影响。
首先,利用Monte-Carlo法建立了3维格点模型,细致地描述了PEMFC催化层复杂的多孔结构,此模型可以用来分析催化层各组分Pt/C、质子导体以及气孔对催化剂利用率的影响。另外,利用随机行走的方法研究了气体在催化层中的扩散行为,为深入理解电池反应和及提高PEMFC整体模型准确性提供了新方法和结构参数。
其次,建立了流道和脊横截面的2维两相流数学模型(Cross-the-channel Model)。模型描述了主要的传递和反应过程,包括阴、阳两极反应气的质量传递、动量传递、电子和质子的传递以及电化学反应等过程。此外模型还细致的描述了水(液态和气态)在扩散层、催化层以及质子交换膜中的传递过程,详细地考察了流道和脊的宽度对电池性能的影响。研究发现水的传递对电池性能影响很大。模拟结果显示,在膜电极面积一定的情况下,对于低增湿PEMFC而言,应当采用较薄的质子交换膜,较宽的脊以增强保湿性能。而对于高增湿PEMFC而言,应当采用较窄的脊以提高反应气的传质性能。
第三,建立了改进的沿流道模型(Along-the-channel Model),并结合以流道横截面模型建立了准3维阴极流道模型。考察了各物理量沿流道长度方向的分布情况及其对电池性能的影响。模拟结果显示,对于高增湿PEMFC而言,氧气浓度、电流密度以及流速均沿流道长度方向逐渐降低。而对于低增湿PEMFC,氧气流速会逐渐升高,电流密度呈先升高后降低的趋势。通过对模拟结果的分析,提出了针对高增湿PEMFC的深度渐变流道设计,以增强阴极排水能力。针对低增湿PEMFC,则提出了脊宽度渐变的流道设计,以增强上游流道的保湿能力,同时提高反应气在下游流道的传质性能。
第四,利用计算流体力学(CFD)工具首次建立了PEMFC完整流场的高效模拟方法,并对5种常见形式的完整流场进行了模拟计算,考察了其中流速以及电流密度等物理量的分布情况。模拟结果显示,流道形式对电流密度分布影响很大。适当拉近上游和下游流道之间的距离可以促进电流密度的均匀分布。所建方法可以用来以电流密度分布和电池性能评价流场,对流场形式的设计有指导作用。
The proton exchange membrane fuel cell (PEMFC) is a electrochemical device that convert chemical energy in fuels directly into electrical energy, with high efficiency and low environmental impact. The flow field plate, which the performance, efficiency and cost of PEMFC strongly depend on, is a very important component. The flow field on the bipolar plate is constituted of channel (length, width, depth), rib and channel patterns. Different mathematical models have been established to improve fundamental understanding of transport phenomena in PEMFC and to investigate the impact of various parameters on performance and efficiency.
First, the microstructure of catalyst layer is studied based upon a lattice model with the Monte Carlo simulation. The model can predict how the catalyst layer components such as Pt/C, electrolyte and gas pores affect the utilization of catalyst and the cell performance. In addition, diffusion of reaction gas in the catalyst layer has been studied based on the lattice model with random walking method. It provides theory basis of electrochemical reactions in PEMFC and structure parameters of the whole models.
Next, a two-dimensional, two-phase cross the channel computational model of PEMFC is established. It accounts for all major transport phenomena including: water and proton transport through the membrane; electrochemical reaction; transport of electrons; transport and phase change of water in the gas diffusion electrodes; diffusion of multi-component gas mixtures in the electrode. The performance of the cathode was found to be dominated by the dynamics of water, especially in the high current density range. The simulation results show that for a fixed electrode width, a greater number of channels and shorter shoulder widths are preferred for the high humidity inlet PEMFC, whereas a shorter number of channels and greater number of shoulder widths are preferred to promote slower water removal for the low humidity inlet PEMFC.
Third, through theoretical analysis by along the channel model, a pseudo-three-dimensional model for conventional gas channels is expanding our two-dimensional model. Base case simulations are presented and analyzed with a focus on the physical insight and fundamental understanding afforded by the availability of detailed distributions of reactant concentrations, current densities along the channel. Simulation results show that the reactant concentration, current density and flow velocity decays monotonically along the channel for the high humidity inlet PEMFC, while the current density increases and then decreases along the channel for the low humidity inlet PEMFC. Therefore, a depth gradual change channel is recommended for the high humidity PEMFCto facilitate better water removal, and a rib width gradual change channel is recommended for the low humidity PEMFC to facilitate better water reservation upriver and better oxygen transport downriver.
Last, the influence of different flow channels including serpentine channel, parallel channels, parallel serpentine channels, spiral channels and mesh channels on the current density distribution of PEMFC was investigated by a computational fluid dynamics (CFD) model. The results show that significant improvements in current density distribution can be obtained by putting inlet channels and outlet channels closer.
首先,利用Monte-Carlo法建立了3维格点模型,细致地描述了PEMFC催化层复杂的多孔结构,此模型可以用来分析催化层各组分Pt/C、质子导体以及气孔对催化剂利用率的影响。另外,利用随机行走的方法研究了气体在催化层中的扩散行为,为深入理解电池反应和及提高PEMFC整体模型准确性提供了新方法和结构参数。
其次,建立了流道和脊横截面的2维两相流数学模型(Cross-the-channel Model)。模型描述了主要的传递和反应过程,包括阴、阳两极反应气的质量传递、动量传递、电子和质子的传递以及电化学反应等过程。此外模型还细致的描述了水(液态和气态)在扩散层、催化层以及质子交换膜中的传递过程,详细地考察了流道和脊的宽度对电池性能的影响。研究发现水的传递对电池性能影响很大。模拟结果显示,在膜电极面积一定的情况下,对于低增湿PEMFC而言,应当采用较薄的质子交换膜,较宽的脊以增强保湿性能。而对于高增湿PEMFC而言,应当采用较窄的脊以提高反应气的传质性能。
第三,建立了改进的沿流道模型(Along-the-channel Model),并结合以流道横截面模型建立了准3维阴极流道模型。考察了各物理量沿流道长度方向的分布情况及其对电池性能的影响。模拟结果显示,对于高增湿PEMFC而言,氧气浓度、电流密度以及流速均沿流道长度方向逐渐降低。而对于低增湿PEMFC,氧气流速会逐渐升高,电流密度呈先升高后降低的趋势。通过对模拟结果的分析,提出了针对高增湿PEMFC的深度渐变流道设计,以增强阴极排水能力。针对低增湿PEMFC,则提出了脊宽度渐变的流道设计,以增强上游流道的保湿能力,同时提高反应气在下游流道的传质性能。
第四,利用计算流体力学(CFD)工具首次建立了PEMFC完整流场的高效模拟方法,并对5种常见形式的完整流场进行了模拟计算,考察了其中流速以及电流密度等物理量的分布情况。模拟结果显示,流道形式对电流密度分布影响很大。适当拉近上游和下游流道之间的距离可以促进电流密度的均匀分布。所建方法可以用来以电流密度分布和电池性能评价流场,对流场形式的设计有指导作用。
The proton exchange membrane fuel cell (PEMFC) is a electrochemical device that convert chemical energy in fuels directly into electrical energy, with high efficiency and low environmental impact. The flow field plate, which the performance, efficiency and cost of PEMFC strongly depend on, is a very important component. The flow field on the bipolar plate is constituted of channel (length, width, depth), rib and channel patterns. Different mathematical models have been established to improve fundamental understanding of transport phenomena in PEMFC and to investigate the impact of various parameters on performance and efficiency.
First, the microstructure of catalyst layer is studied based upon a lattice model with the Monte Carlo simulation. The model can predict how the catalyst layer components such as Pt/C, electrolyte and gas pores affect the utilization of catalyst and the cell performance. In addition, diffusion of reaction gas in the catalyst layer has been studied based on the lattice model with random walking method. It provides theory basis of electrochemical reactions in PEMFC and structure parameters of the whole models.
Next, a two-dimensional, two-phase cross the channel computational model of PEMFC is established. It accounts for all major transport phenomena including: water and proton transport through the membrane; electrochemical reaction; transport of electrons; transport and phase change of water in the gas diffusion electrodes; diffusion of multi-component gas mixtures in the electrode. The performance of the cathode was found to be dominated by the dynamics of water, especially in the high current density range. The simulation results show that for a fixed electrode width, a greater number of channels and shorter shoulder widths are preferred for the high humidity inlet PEMFC, whereas a shorter number of channels and greater number of shoulder widths are preferred to promote slower water removal for the low humidity inlet PEMFC.
Third, through theoretical analysis by along the channel model, a pseudo-three-dimensional model for conventional gas channels is expanding our two-dimensional model. Base case simulations are presented and analyzed with a focus on the physical insight and fundamental understanding afforded by the availability of detailed distributions of reactant concentrations, current densities along the channel. Simulation results show that the reactant concentration, current density and flow velocity decays monotonically along the channel for the high humidity inlet PEMFC, while the current density increases and then decreases along the channel for the low humidity inlet PEMFC. Therefore, a depth gradual change channel is recommended for the high humidity PEMFCto facilitate better water removal, and a rib width gradual change channel is recommended for the low humidity PEMFC to facilitate better water reservation upriver and better oxygen transport downriver.
Last, the influence of different flow channels including serpentine channel, parallel channels, parallel serpentine channels, spiral channels and mesh channels on the current density distribution of PEMFC was investigated by a computational fluid dynamics (CFD) model. The results show that significant improvements in current density distribution can be obtained by putting inlet channels and outlet channels closer.
引文
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