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液化石油气是一种成分复杂的混合物，这就大大增加了对其爆炸进行数值计算的难度。采用CFD(Computational Fluid Dynamics，计算流体力学)方法，对石油气的混合成分进行了简化处理，进而对石油气爆炸进行了数值模拟，建立了描述液化石油气爆燃的理论模型，采用SIMPLE算法对模型进行了求解。计算的超压与实验值相比较，球形容器内最大偏差为9.09%，平均偏差为4.58%；开敞空间情况下，最大偏差9.02%，平均偏差3.92%。还对工业上可能产生的液化石油气可燃气云爆燃威力进行了预测，当气云半径为100 m时，最大超压可达48.432 kPa。研究表明，大尺寸气云可以产生具有破坏力的超压。     

Fluoropyridine family: Bifunction as electrolyte solvent and additive to achieve dendrites-free lithium metal batteries

Electrolyte formulation with high stability towards both Li metal anode and high-voltage cathode is considered as one of key points for the high-energy density lithium metal batteries (LMBs).In our previous study,by adding only 2％ of 2-fluoropyridine (2-FP) as the additive in the carbonate and ether-based electrolyte formulations effectively suppressed Li dendrite growth.In this study,we further found that the main fluoropyridine (FP) family members can serve as not only the effective additive but also the excellent electrolyte solvent in the electrolyte formulations to enhance the performance of LMBs.For the 2-FP,when it was also used the electrolyte solvent and paired with single-salt lithium bis(trifluoromethylsulfonyl)imide (LiTFSI),the obtained electrolyte formulation of 1 M LiTFSI in pure 2-FP solvent not only allowed faster ion transport though solvation effect,but also possessed impressive oxidation stability window over 4.3 V.As a result,the high-voltage LiNi1/3Mn1/3Co1/3O2 (1.5 mA h cm-2)|Li metal battery with it exhibited a capacity retention of more than 80 ％ over a long-term cycle even at 0.45 mA cm-2 with a lean electrolyte (30 μL).Meanwhile,for another FP family member (i.e.,3-FP) as the electrolyte additive,the 4.3 V LMBs with the carbonate-based electrolyte containing only 1 ％ of 3-FP maintained 83.9 ％ of initial capacity after 200 cycles at 0.75 mA cm-2.Density functional theory (DFT) calculations and experiments confirmed that three typical FPs,i.e.,2-FP,3-FP and 4-FP can not only regulate the initial Li nucleation process,but more importantly also induce a protective layer,leading to a uniform and dendrites-free Li deposition.This bifunction of the FP family member as either electrolyte solvent or additive in the electrolyte formulations should be promising for the achieving of dendrites-free high-energy density LMBs.     

常规流场下各向异性扩散层对质子交换膜燃料电池(PEMFC)性能影响

为了研究扩散层各向异性对电池性能的影响,以XD=Di,j ^y/Di,j ^x 为各向异性的表征,建立了使用常规流场的质子交换膜燃料电池二维传质模型.考虑了阴阳极内物质的对流和扩散、水和质子在膜内传递以及催化层的电化学反应.利用有限差分法对控制方程进行离散,采用逐次超松驰法求解得到了阴阳极反应气体和水的浓度分布以及催化层电流密度、膜中水含量、膜中电势和电流密度的分布.分析结果表明：在1≤XD≤4时增大XD有利于提高电池性能,但随着XD增大其对电池性能的影响逐渐减小;并且XD对电池性能的影响主要体现在对阴极和膜性能的影响上,其对阳极性能的影响甚微.     

The effect of wall roughness on the liquid removal in micro-channels related to a proton exchange membrane fuel cell(PEMFC)

In this paper, the effect of the wall roughness on the water behavior related to the PEMFCs gas channel is investigated by the two-phase flow simulation. And, the different wetting conditions of the wall surface are considered, i.e. hydrophilic surface and hydrophobic surface. The relative roughness height and the roughness element density as well as the roughness element type are also considered in the study. And the results show: (1) for hydrophilic surface, water behavior for smooth case is different from the roughness cases, due to the effect of roughness on the water slug morphology even for r/H = 0.2% roughness. (2) r/H = 0.2% is positive for water removal and will not lead to the high pressure drop for hydrophilic surface, (3) r/H = 5% is advantageous for water removal for hydrophilic surface but disadvantageous for hydrophobic case, and the pressure drop greatly increases for both cases, (4) for hydrophobic surface, roughness of r/H = 1% and r/H = 2% slow down the water removal speed, but will not affect the amount of the removable water, (5) there is nearly no effect for r/H = 0.2% for hydrophobic case, (6) for both conditions, the average pressure drop obviously increases when r/H ≥ 2%. (7) Increase of the roughness element can help water removal for hydrophilic case but no obvious function for hydrophobic surface. (8) The triangle roughness element is better than rectangle element with the same height.     

A three-dimensional analysis of the effect of anisotropic gas diffusion layer(GDL) thermal conductivity on the heat transfer and two-phase behavior in a proton exchange membrane fuel cell(PEMFC)

A three-dimensional and two-phase model was employed to investigate the effect of the anisotropic GDL thermal conductivity on the heat transfer and liquid water removal in the PEMFCs with serpentine flow field and semi-counter flow operation. The GDL with different anisotropic thermal conductivity in the three directions (x, y, z) was simulated for four cases. As a result, the water saturation, temperature, species, current, potential distribution and proton conductivity were obtained. According to the comparison between the results of each case, some new conclusions are obtained and listed as below: (1) The anisotropic GDL produces the high temperature difference than that of isotropic case, and the in-plane thermal conductivity perpendicular to the gas channels is more important than that of along channels, which may produce the larger temperature difference. (2) Water saturation decreases due to the large temperature difference in the anisotropic case, but some water vapor may condense in the area neighbor to the channel ribs due to the cool function of the current collector and the great temperature difference. (3) The anisotropic thermal conductivity in the through-plane direction and the in-plane direction perpendicular to the gas channels can lead to the decrease of the membrane conductivity. (4) The isotropic GDL is better than that of anisotropic one for the uniform current density. Also, in-plane thermal conductivity perpendicular to the channels has more negative effect on the current density distribution in the membrane than that of the along channels one.     

Steam reforming of methanol for hydrogen production over nanostructured wire-like molybdenum carbide catalyst

Steam reforming of methanol over nanostructured wire-like molybdenum carbides, which were synthesized by direct carburization of aniline-intercalated molybdenum based organic-inorganic hybrid composite at different temperatures, were investigated in details. SEM and TEM images revealed that the obtained wire-like molybdenum carbide was composed of nano-particles (10–20 nm) and had microporous structure. These wire-like molybdenum carbides showed higher catalytic activity than those synthesized via the conventional temperature programmed reaction (TPRe) method. It is found that the wire-like molybdenum carbide synthesized at 675 °C had higher surface area (93.2 m²/g) and showed more excellent catalytic activity and longer term stability. XRD results indicated that more α-MoC_1−x phase existed in this kind of molybdenum carbide. It indicated that an alternative high-performance molybdenum carbide catalyst can be easily obtained by adjusting the synthesis condition.     

燃料电池组的气体分配管道

对燃料电池组中气体分配管道的不同设计、不同气体流向以及气体分配管道数学模型的文献作了综述。气体分配管道的设计根据体积比功率、密封与绝缘的难易程度以及造价等影响因素综合考虑 ,内置型气体分配管道及其改进型为气体分配管道在设计上的发展方向。而气体分配管道的数学模拟还需要进一步完善 ,制约其模型准确性的关键因素为模型方程的求解技术。有必要对燃料电池的气体分配管道的计算机辅助设计软件进行研究与开发。     

SOFC中不同浓度干甲烷在Ni-YSZ阳极上的反应

引言 天然气是适于固体氧化物燃料电池(SOFC)应用的燃料之一,天然气中主要成分是甲烷.甲烷通过全氧化或部分氧化[1-4]反应,在发电的同时,生成适于发电或其他用途的富含H2、CO的气体.     

阳极支撑固体氧化物燃料电池制备研究

制备了Ni/YS│YSZ│LSM[YSZ——Y2O3掺杂(稳定)的ZrO2;LSM——锰酸镧即La0.85Sr0.15MnO3]阳极支撑单体固体氧化物燃料电池(SOFC)。其中阳极基底、YSZ电解质薄膜和LSM阴极分别采用干压成型方法、浆料喷覆工艺和浆料涂覆法制备。考察了电池制备过程中影响电池品质的主要因素,指出基底不均匀性和焙烧升温速率过快是导致成型压力在25～250MPa范围内阳极基底翘曲和开裂的主要原因;影响阳极基底与YSZ电解质薄膜共焙烧匹配性的主要因素是成型压力、预焙烧温度和焙烧升温速率。应用扫描电子显微镜(SEM)表征了电池微观结构,YSZ电解质薄膜的厚度约为15～20mm。考察了电池电性能,800℃下,阳极H2进气流量为250mL·min-1时,电池开路电压1.0973V,最大比功率0.13W·cm-2。进一步优化电极结构,可制备高性能的阳极支撑SOFC。     

"人工神经网络"方法用于超临界流体萃取模拟

在15－30MPa和303－323K条件下，用超临界CO2流体萃取沙棘籽油，结果表明，最高沙棘油收率（30MPa,308K)可达到90％以上，对过程进行动力学模拟，建立了超临界萃取过程的人工神经网络（ANN）模型，以MATLAB软件为平台，编制了SFE－ANN模拟程序系统，采用3层BP网络结构，以压力，温度、萃取时间为输入，以萃取出油量为输出对网络进行训练，由此得到的网络可以对萃取速率和单位时间床高方向的萃取出油量进行准确的模拟和预测，与实验结果比较证明，训练样本集误差为0．2％，测试样本集误差为0．5％，模拟误差小于6％。