一种批量制备药物共晶的新方法——高速气流法

药物共晶能改善药物物理化学特性、提高药效,机械化学合成法作为一种高效、绿色的合成法在药物共晶合成中得到了广泛应用。首次应用与传统机械法不同的高速气流对撞法批量制备了4种茶碱药物共晶(每种290~320 g),并采用红外光谱(FT-IR)、X射线衍射(XRD)、差热分析(DTA)、扫描电子显微镜(SEM)对4种药物共晶进行了表征。此外,测定了药物共晶的溶解度,结果表明,4种药物共晶在30℃磷酸盐缓冲溶液(pH=7.4)中的溶解度较茶碱显著提高。     

锂离子电池用新型复合聚合物电解质膜的性能研究

聚合物电解质膜是影响锂离子电池性能的重要因素,通过对聚合物的改性,能够改善聚合物电解质膜综合性能.本文以偏氟乙烯-六氟丙烯共聚物[P(VDF-HFP)]为基,以N甲基吡咯烷酮(NMP)作溶剂,γ-丁内酯(γ-BL)作添加剂,用倒相湿法制备出复合聚合物电解质膜,并对其离子传递、膜结构和电化学性能进行了研究.用限制扩散方法测定了该电解质膜的锂离子扩散系数为5.68×10-10 cm2·s-1;用稳态极化法测定了该电解质膜的迁移数为0.61;用交流阻抗法测得该电解质膜的室温最高电导率可达1.73×10-3S·cm-1.测试结果表明,该聚合物电解质膜具有较好的离子传输性质和电化学性能.     

微乳法合成聚苯胺纳米颗粒及其光催化研究

通过W/O微乳法制备了聚苯胺纳米颗粒,研究其光催化降解有机染料甲基橙与橙Ⅱ的性能。通过在UV和UV/H2O2体系中的光催化降解实验发现,针对两种染料,聚苯胺纳米颗粒的光催化活性分别为普通聚苯胺的2.69倍与2.26倍。材料通过透射电子显微镜、比表面分析、红外光谱等手段表征。结合微乳法制备共轭聚合物材料,有可能为光催化降解有机污染物提供一条可行途径。     

二硫化钼基杂化物对聚合物火灾安全性影响

为改善聚合物材料的火灾安全性,利用二硫化钼(MoS2)的独特性能,结合纳米复合、催化成炭等设计思路,采用共沉淀法制备CeMnOx-MoS2和CeFeOx-MoS2双金属氧化物-MoS2纳米杂化物,并将其分别应用到2种典型聚合物(聚氨酯和环氧树脂)中.结果 表明:2种杂化物均匀分散在聚合物基体中,可有效延缓聚合物材料的热...     

硅胶表面Cd~(2+)印迹聚合物的制备及其吸附性能的研究

以Cd2+作为模板,γ-甲基丙烯酰氧基丙基三甲氧基硅烷(KH-570)为交联剂,硅胶作为载体,制备特性Cd2+硅胶表面印迹聚合物,利用扫描电镜和X射线衍射仪表征了聚合物的结构,采用平衡吸附法研究了该印迹聚合物的吸附性能和选择识别能力。结果表明,该印迹聚合物的最大吸附量分别为4.3mg/g;对Cd2+的吸附行为符合Lagergren第一速率定律;25min即可达到吸附平衡;当pH=5~7时,该印迹聚合物保持了较好的吸附容量。     

聚丙烯酰胺聚合物互穿网络凝胶在透明防火玻璃中的应用*

为提高聚丙烯酰胺类透明凝胶材料的耐候性能,分别将丙烯酰胺与聚乙二醇2000、丙烯酸、甲基丙烯酸3种聚合物复配,构建聚合物互穿网络体系,然后与交联剂、阻燃剂和引发剂等共混制备透明防火凝胶并应用于灌浆型防火玻璃。研究结果表明:聚合物互穿网络结构能增强透明防火凝胶的热稳定性、耐火性和耐候性,但略微降低了凝胶体系透光率;3种聚合物互穿网络体系透明防火凝胶的综合性能排序为:聚丙烯酰胺-聚乙二醇2000体系＞聚丙烯酰胺-甲基丙烯酸共聚物＞聚丙烯酰胺-丙烯酸共聚物;相比于聚丙烯酰胺凝胶防火玻璃,聚丙烯酰胺-聚乙二醇2000互穿网络凝胶防火玻璃经50 kW/m2辐射功率加热3 600 s后,背面平衡温度降低约39.0%。研究结果拟为高性能阻燃透明防火玻璃的制备和应用提供理论参考和技术借鉴。     

电化学氧化降解苯胺的研究

以Ti/SnO2 - Sb2O5为阳极,石墨为阴极研究了苯胺的电化学氧化降解.在阳极氧化的基础上,通过外加Fe2+实现了阳极氧化与电Fenton氧化协同降解苯胺.结果表明,不存在Fe2+时,中性介质和高阳极电位有利于提高苯胺去除率.苯胺被阳极氧化降解的同时,-0.65 V和酸性介质条件下石墨阴极具有良好的还原O2生成H2O2的性能.在pH=3.0和-0.65 V阴极电位条件下,电化学反应600min,H2O2的累计质量浓度达到110 mg·L-1.引入Fe2+后,苯胺降解效果和电流效率得到大幅度提高.在阴极电位为-0.65 V,pH值为3.0,初始Fe2浓度为0.50 mmol· L-的条件下,处理180 mg·L-1苯胺水溶液(Na2SO4为支持电解质)600 min,苯胺去除率达100％,COD去除率为78％.因此,使用恰当的电极材料,控制合理的电极电位,可以实现双极电化学氧化降解水中有机物,并且获得较高的电流效率.     

芳香酯类富勒烯衍生物的制备及光电性能研究

以PCBM为初始原料,经过水解、酯化反应,生成3类富勒烯衍生物,采用红外光谱(FT-IR)、核磁共振(1H NMR和13C NMR)、元素分析仪、质谱(MS)对产物结构进行了表征;并通过紫外可见光谱、循环伏安法等手段研究了目标物的光学与电化学性能,结果表明,目标物PCBTE、PCBBE、PCB(4-MOB)M的LUMO能级分别为-3.91 V、-3.88 V、-3.94 V。     

《新型实用过滤技术第四版新书介绍》

正《新型实用过滤技术》前三版为过滤领域的品牌书籍由于内容全面新颖、实用、过滤设备参数性能详细、准确、受到过滤行业的认可。随着经济的高速发展和环境意识的提高,人们深切感到"气固分离"与"液固分离"具有同样的重要性和迫切性。在第四版中,"液固分离"的内容有:液体过滤引言,过滤和压榨理论,计算液体力学在过滤领域的应用等理论成果,阐述了过滤介质,     

阻燃凝胶聚合物电解质的制备及其在高安全锂离子电池中的应用

随着锂离子电池能量密度的不断提高,火灾事故愈发频繁,提高锂离子电池安全性能越来越受到重视。基于乙烯基膦酸二乙酯、季戊四醇四丙烯酸酯和商业电解液合成了阻燃凝胶聚合物电解质(DEVP-GPE),并对其组装的锂离子电池开展了电化学性能和火安全性能的研究。循环测试表明,石墨//DEVP-GPE//Li半电池在第1 000圈时的容量维持率高达88.7%,明显高于商业电解液(25.8%),磷酸铁锂//DEVP-GPE//石墨全电池在0.5 C倍率下循环100次的容量维持率高达80.2%,平均库仑效率为99.73%,具有良好的循环稳定性。火焰燃烧测试结果表明,含磷DEVP-GPE的自熄时间仅为1.5 s。1 Ah容量级别袋式全电池的过热测试结果表明,阻燃型DEVP-GPE不起火只冒烟,而且不漏液。以上结果均证明制备的DEVP-GPE具有良好的火安全性能。通过对电解质热解过程的分析,含磷DEVP-GPE能够很好地限制内部电解液的挥发和热解,并且在燃烧时释放出磷自由基以中断燃烧链式反应。     

Emission of Oxygenated Species from the Combustion of Pine Wood and its Relation to Soot Formation

Combustion tests of pine wood cribs have been performed in different airflows in a fire test chamber. VOC in the flue gas has been monitored on-line using FTIR. Soot was collected at different heights above the bed on to quartz fibre filters and was characterized using pyrolysis-GC-MS. Correlation between combustion conditions and emission profiles were elucidated. The soot contained significant amounts of adsorbed oxygenated material derived from pyrolysis of the wood. Three types of material were identified: pyrolysis products, pyrolysis recombination products and PAH, and significant proportions of O-PAH are also present. Oxygenated PAH increased with temperature and higher air flow rate whereas oxygenated phenolic type material increased with lower temperature and lower air flow rate. Cooler flames from oxygen-starved fires akin to conditions in household fires produce significant higher proportions of phenolic material.Oxygen appears to play a significant role in the production of soot and there appear to be two routes by which PAH material can be synthesized. Firstly through conventional hydrocarbon mechanisms such as the HACA method and secondly through a route involving the polymerization of biomass pyrolysis fragments. A number of important species are identified which could be intermediates between these pyrolysis products and PAH.     

不同防排烟方式下车厢火灾烟气运动的数值模拟研究

为了揭示车厢内部火灾烟气在不同防排烟方式下的迁移特征,优化选择最优防排烟方式,运用火灾动力学软件FDS对CRH2A动车组的一节车厢进行模拟计算。分别采用机械排烟系统、空气幕系统及二者复合系统对车厢内烟气进行控制,对比分析不同排烟系统下车厢内烟气温度、烟气层高度和烟气浓度的变化规律。结果表明:随着排烟量的增加排烟效果显著增大,但排烟量不宜过大,当固定功率为0.2 MW时,V2=0.87 m3/s排烟效果最佳;空气幕在一定程度上可以阻挡烟气蔓延至相邻车厢,机械排烟在降低烟气温度与浓度方面的效果比空气幕系统明显;每个独立系统的控烟效果远不及二者复合系统效果明显。综合考虑防排烟的有效性和经济性,在本文设定工况下,V1=1.12 m3/s、V2=1.62 m3/s为最优防排烟组合方式。     

Dynamic pressure induced by a methane–air explosion in a coal mine

The hazardous effect of dynamic pressure and strong gas flows induced by a methane–air mixture explosion in underground coal mines is studied. The dynamic pressure effect of a methane–air explosion was analyzed by numerical simulation, in a duct and tunnel. Compared to the overpressure generated by an explosion that can act on a body, the dynamic pressure caused by the high-speed flow of the gaseous combustion products can cause serious damage as well. At the structural opening of a coal mine, the destruction caused by the dynamic pressure induced by a methane–air explosion is more serious than the overpressure. For a tube or tunnel partially filled by a methane–air mixture, the dynamic pressure is lower than the overpressure in the region occupied by the flammable mixture. Beyond the premixed region, the dynamic pressure is of the same order of magnitude as the overpressure.     

Real-time numerical simulations and experimental research for the propagation characteristics of shock waves and gas flow during coal and gas outburst

When coal and gas outburst occurs, high-speed gas flow and air shock wave with high kinetic energy could be created. In this paper, the formation process of outburst shock waves and gas flow has been analyzed firstly. Afterwards, the numerical simulation models of the roadways with right-angled intersection have been established, by which real-time simulation of the propagation of outburst gas flow and the process of gas transport has been conducted. Gas pressure, gas velocity and gas concentration can be simulated and shown. From analyzing the simulation results, qualitative and quantitative conclusions that the characteristics and patterns of the propagation and attenuation of outburst shock waves and gas flow can be arrived at. Finally, experimental models have been carried out to investigate the outburst shock waves and gas flow at the roadways with the similar shapes as the simulated ones. The results indicate that when shock wave and gas flow passes the intersection, most of the shock wave and gas flow will flow into the roadway of section opposite the intersection, and a little of it would flow into the roadway below the intersection. And turbulence will appear, shock wave reflects and diffracts at branches with more influence on the roadway below the intersection.     

N-甲基羟胺盐酸盐的热分解机理的理论研究

为深入研究N-甲基羟胺盐酸盐(NMHH)热分解的反应特征,应用密度泛函理论,在w B97xd/6-311++g(2df,2pd)水平下,对NMHH的初步分解产物N-甲基羟胺(NMHA)及质子化的NMHA热分解反应中涉及的反应物、过渡态、中间体、产物的几何结构和能量情况进行了优化计算,提出了可能的热分解路径。结果表明,NMHA与质子化NMHA均存在两种热分解路径。NMHA在两条路径下分解需越过的能垒为250.75 k J/mol与428.64 k J/mol,而质子化NMHA在对应分解路径下需要越过的能垒分别为217.19 k J/mol与286.77k J/mol。在对应路径下质子化NMHA分解需越过的能垒明显低于NMHA的直接分解,并且随着反应的持续进行,质子化的NMHA的形成和分解将越来越容易发生。这表明NMHH的分解具有自催化特征,与试验结果吻合。     

Thermal degradation characteristics,kinetics and thermodynamics of micron-sized PMMA in oxygenous atmosphere using thermogravimetry and deconvolution method based on Gauss function

Micron-sized poly (methyl methacrylate) (PMMA) with high flammability is widely applied in industries, constructions and transportations. Study on the thermal degradation behaviors of micron-sized PMMA in oxygenous atmosphere, which receives scarce attention to date, can provide valuable guidance for the prevention and mitigation of injuries and damages arising from the micron-sized PMMA dust explosions and fires. In the present study, the thermal degradation characteristics of micron-sized PMMA in air were investigated by thermogravimetry. Deconvolution method using Gauss function coupled with model-free and model-fitting methods was employed to conduct the kinetic modeling. The values of thermodynamic parameters (ΔH, ΔG and ΔS) were estimated. The results indicated that one peak and one shoulder occurred in the mass loss rate (MLR) variations of the micron-sized PMMA degradation in air. The values of MLR at peak and shoulder both decreased with heating rate. Besides, the average value of the MLR varied little with heating rate. The values of MLR at the peak and the average MLR of micron-sized PMMA degradation in air were both less than those of the traditional-sized PMMA degradation in air. The calculated kinetic parameters can be used to well predict the thermal degradation behaviors of micron-sized PMMA in air. Additionally, the micron-sized PMMA in air was easier to decompose than the traditional-sized PMMA in air. Non-spontaneous reactions were involved in the thermo-oxidative degradation of micron-sized PMMA. Besides, with the progressing of thermo-oxidative degradation, less energy was required and pyrolytic products with well-ordered structures may be generated.     

烷烃类燃料/空气预混气着火过程数值预测

理论分析烷烃类燃料,空气混合物热着火过程,并对IPIC－CFDII软件进行修改,使之适全合资料零维着火计算,程序采用了美国SANDIA国家实验室,NASA和BERKELEY大学热力学数据库中的相关参数以及大型化学反应动力学软件包CHEMKIN中相关的模型和子程序,运用开发的源码,以庚烷／空气预混气为例,采用庚烷氧化的最新化学反应动力学机理（包含290个基元反应,涉及57种组分）,计算了其在不同点火温度,不同当量比和不同压力下的着火延迟时间,同时预测了火焰中反应物,主产物,自由基沈庆以及温度变化的时间进程,以具体说明该软件的应用效果。     

无上部抽吸装置储罐区人工龙卷风风场模拟

为了减少因储罐泄漏位置不确定造成的人员伤亡,指导应急疏散,提出利用人工龙卷风定向控制气体流动方向的模型。首先基于Fluent软件建立了储罐区域人工龙卷风数值模型,分析切向速度和压强沿径向变化规律,发现与经典Rankine涡模型切向速度沿径向分布规律一致,证实可在储罐区以射流相切的方式形成人工龙卷风风场。其次研究了涡流比和进风量对风场控制气流特性的影响,即分析形成的龙卷风风场最大切向速度、压强差变化规律,结果表明,涡流比越大,形成的龙卷风风场中切向速度和压强差越小,即气流向中心汇聚能力越弱;进风量越大,形成的龙卷风风场中切向速度和压强差越大,即气流向中心汇聚能力越强。研究表明,用人工龙卷风控制储罐泄漏气流方向是可行的。     

基于耗散结构和熵的高速铁路事故演化机理研究

针对高速铁路事故致因复杂的特点及高速铁路运营安全评价研究现状,提出应用耗散结构和熵理论来研究高速铁路运营事故演化机理。首先,在分析高速铁路安全运营影响因素的基础上,提出基于信息熵的典型事故安全要素集构建方法。其次,基于耗散结构和熵理论,研究高速铁路运营事故的演化机理。给出高速铁路运营安全系统的熵流模型及其熵值计算方法。通过系统熵变,判别事故演化方向。最后,通过分析高速铁路脱轨事故的演化机理,实例验证该方法的合理性和可行性。研究表明,把熵作为一个参数,能够揭示高速铁路运营事故的演化趋势;流入负熵流和排出正熵流,能够保持系统稳定有序,有效防止事故发生。     

长距离掘巷局部通风计算风筒中风量风压的一种新方法

长距离掘进巷道通风时风筒进风口和出风口会有大的风量差和风压差。为了选择合理的风机通风,需要研究风筒中风量、风压的变化规律。常规方法是利用经验或实验得到风筒接头平均漏风量,从而计算进风口的风量和风压。但对于长距离通风且每段风筒较小时该方法所计算的参数偏小,会对风机选型造成误差。本文另辟蹊径,根据风量、风压平衡定律,按照非连续性通风网络模型推导出了进风口的风量、风压与出风口处的关系,并给出了简化的近似关系,作为风筒通风参数计算的新方法。结合具体实例,发现参数近似值与精确值高度相似,说明可以利用近似关系进行计算,简单方便;同时比较了按新方法和常规方法计算的风筒进风风量和通风阻力的差异,结果表明长距离掘进巷道的风量风压按新方法计算更为科学。