基于平面度的燃料电池电化学性能模拟

 固体氧化物燃料电池的翘曲会影响电极-盖板界面的接触情况，从而影响电化学性能，对相关制造工艺提出了很大的挑战．为了分析燃料电池平面度对放电过程的影响，揭示其潜在的风险，我们建立了两个基于有限元法的仿真模型，对考虑平面度缺陷的燃料电池封装和放电进行分析．在对固体氧化物燃料电池进行平面度测量的基础上，首先建立了具有真实燃料电池翘曲特性的几何模型，分析封装过程中接触压力的分布情况．然后将接触电阻的仿真结果导入到三维多物理场耦合模型中，模拟具有平面度缺陷的燃料电池电化学性能．计算结果展示了燃料电池两侧封装过程中接触压力的分布情况．通过对比有接触电阻和无接触电阻的燃料电池电流密度，分析了电池与盖板的接触对放电过程的影响．结果表明，燃料电池的凹陷面较难达到满意的接触状态，需要比凸起面更大的封装压力．燃料电池表面接触电阻的变化将引起电流传导路径的变化，产生局部高电流或低电流．这项工作强调了在燃料电池中保持均匀分布的接触电阻的重要性，为今后的优化工作奠定了基础．     

小直径棒材超声横波检测仿真分析

采用超声水浸聚焦斜入射方式进行小棒材表面、近表缺陷检测时,声波在水/棒和棒/缺陷界面会发生反射、折射、散射、衍射及波形转换等一系列物理变换。此时缺陷可检性对声波入射条件十分敏感,常出现由于检测条件设置不当而导致缺陷漏检、误检的情况。为解决这一问题,本文针对小棒材超声斜入射检测中的主要参数——入射角和水距,开展声场及缺陷声响应仿真,研究检测参数对不同部位缺陷检测能力的影响,并对仿真结果进行试验验证。通过研究得到了检测水距、入射角度对缺陷检测能力的影响,并得到最优检测条件。试验验证结果表明研究制定的检测方案可有效检测出表面、近表面裂纹缺陷。     

Lanthanum trilactate: Vibrational spectroscopic study − infrared/Raman spectroscopy

In this study lanthanum trilactate was prepared by neutralization reaction of lactic acid and lanthanum oxide, purified and identified by X-ray powder diffraction. Infrared spectra (Mid-IR region 4000–650 cm⁻¹) and Raman spectra (Stokes region 4000–100 cm⁻¹) of the high quality crystalline samples have been recorded and presented for the first time. For comparison DFT calculations were performed using Gaussian 09 D.01 and agreement between predicted and measured spectral data has been achieved. Acquired information can be utilized for substance identification for example in various industrial applications or in biological systems.     

(3S,4S)-4-氨基-3-羟基-6-甲基庚酸的合成

价廉易得的L-亮氨酸先以苄基同时保护氨基及羧基得(S)-2-(二苄胺基)-4-甲基戊酸苄酯,进而在碱性条件下与乙腈发生亲核取代反应得(S)-4-(二苄胺基)-6-甲基-3-氧代庚腈,再经硼氢化钠选择性还原羰基得(3S,4S)-4-(二苄胺基)-3-羟基-6-甲基庚腈,用双氧水氧化得(3S,4S)-4-(二苄胺基)-3-羟基-6-甲基庚酸,最后在Pd(OH)2/C-H2作用下脱掉苄基得到(3S,4S)-4-氨基-3-羟基-6-甲基庚酸,即(3S,4S)-statine。整个合成路线总产率为33.6%。     

A One‐Pot Synthesis of N‐Aryl‐2‐Oxazolidinones and Cyclic Urethanes by the Lewis Base Catalyzed Fixation of Carbon Dioxide into Anilines and Bromoalkanes

The multicomponent assembly of pharmaceutically relevant N‐aryl‐oxazolidinones through the direct insertion of carbon dioxide into readily available anilines and dibromoalkanes is described. The addition of catalytic amounts of an organosuperbase such as Barton's base enables this transformation to proceed with high yields and exquisite substrate functional‐group tolerance under ambient CO₂ pressure and mild temperature. This report also provides the first proof‐of‐principle for the single‐operation synthesis of elusive seven‐membered ring cyclic urethanes.     

TiO2 photocatalysis for the degradation of pollutants in gas phase: From morphological design to plasmonic enhancement

TiO₂-based photocatalysis has become a viable technology in various application fields such as (waste)water purification, photovoltaics/artificial photosynthesis, environmentally friendly organic synthesis and remediation of air pollution. Because of the increasing impact of bad air quality worldwide, this review focuses on the use and optimization of TiO₂-based photocatalysts for gas phase applications. Over the past years various specific aspects of TiO₂ photocatalysis have been reviewed individually. The intent of this review is to offer a broad tutorial on (recent) trends in TiO₂ photocatalyst modification for the intensification of photocatalytic air treatment. After briefly introducing the fundamentals of photocatalysis, TiO₂ photocatalyst modification is discussed both on a morphological and an electronic level from the perspective of gas phase applications. The main focus is laid on recent developments, but also possible opportunities to the field. This review is intended as a solid introduction for researchers new to the field, as well as a summarizing update for established investigators.     

双电极法现场快速检测地下水和湖水中碳酸氢根和碳酸根

地下水和湖水中碳酸氢根( HCO-3)和碳酸根( CO2-3)含量是地球化学碳行为和碳循环的重要表征,但两种离子的浓度易受环境影响而改变,因此,地下水和湖水中HCO-3和CO2-3真实含量的测定一直是个难题。实验利用CO2的水解平衡,通过pH电极和二氧化碳电极联用,建立了HCO-3和CO2-3现场快速测定的新方法,解决了地下水和湖水中HCO-3和CO2-3真实含量的测定难题。研究结果表明,在pH=4.8±0.1的底液中, HCO-3和CO2-3的线性范围分别为0.027~570 mg/L和1.25×10-8~39.7 mg/L。共存的金属离子、强酸阴离子(K+、Na+、Mg2+、Cl-、SO2-4,100 mg/L)、弱酸阴离子和弱酸(HSO-3、NO-2、HOAc,50 mg/L)对测定干扰小于5%。实际水样加标实验回收率在95.2%~99.2%之间,相对标准偏差为2.6%~3.7%。与酸碱滴定法进行对比,本方法的准确性良好。但方法受温度影响,因此标准溶液与样品应在同一温度下测量。总体而言,双电极法灵敏、快速、经济且电极携带方便、操作简单、对环境要求不高,十分适合现场和室内一般自然水体的快速检测。本方法已成功应用于青海省地下水和青海湖湖水中HCO-3和CO2-3的现场测定。实验表明,海东地区地下水样品pH在6.4~7.4之间,HCO-3含量为234~4096 mg/L,CO2-3含量为0.16~1.89 mg/L；青海湖湖水样品pH≈8.7,HCO-3含量范围在1.36~1.86 g/L,CO2-3含量在32.3~43.9 mg/L,与文献结果吻合。     

Highly Selective Zeolite Topologies for Flue Gas Separation

The separation of carbon dioxide from flue gas is essential for the reduction of greenhouse gas emissions. In adsorptive methods, the challenge lies in the choice of suitable porous materials. Among all zeolite topologies, a number of adsorbents with pore dimensions in the range of the guest molecules were identified to allow an excellent separation by diffusion, and MRE and AFO zeolite topologies appear to be the best candidates based on equilibrium adsorption. Also, it was found that the behavior of this gas mixture in DFT and APD zeolites differed from the normal behavior.     

UHMWPE纤维的超临界CO_2辅助渗透预处理研究

利用Minitab软件设计实验,以超高分子量聚乙烯纤维(UHMWPE)为原料,研究了在不同的超临界CO_2流体状态下,处理压力、温度和时间等因素对三羟甲基丙烷三甲基丙烯酸酯(TMPTMA)渗入率的影响,确定了最佳因素设置范围;通过单因子实验优化了超临界CO_2处理工艺,并对经过电子束辐照的UHMWPE纤维凝胶含量和蠕变率进行了测试。研究结果表明:处理温度对TMPTMA的渗入率影响最大,其次为压力,时间的影响最小,确定了最优工艺条件为处理压力25MPa,温度80℃,时间30min;TMPTMA渗入率越高,电子束辐照后UHMWPE纤维的增感辐照交联效应和抗蠕变效果越好。