基于Matlab分析负荷对多联机IPLV的影响

多联机有其特殊的优点,但是不同部分负荷的组合对IPLV的影响仍需进一步研究。文中建立IPLV与部分负荷的相关公式,运用MATLAB软件分析不同卸载级负荷与IPLV的关系,从而确定不同部分负荷的最优组合。     

超声波对木瓜蛋白酶催化活性影响的机理研究

木瓜蛋白酶经适当参数的超声波处理后酶活力提高。超声处理后酶的米氏常数Km变小,最大反应速率Vm也减小。超声处理后酶的紫外吸收光谱不变,荧光发射光谱也不改变,而差示光谱出现明显的正峰和负峰。研究结果表明,超声波处理后,木瓜蛋白酶的构型没有改变,而构象发生了变化。本文讨论了超声波影响木瓜蛋白酶活性的可能机理。     

缺陷对钠在石墨烯上吸附性能的影响

采用基于密度泛函理论的第一性原理方法,研究了本征石墨烯和缺陷石墨烯吸附钠原子的电荷密度、吸附能、态密度和储存量.结果表明,本征石墨烯中,钠原子的最佳吸附位置为H位,缺陷石墨烯中,钠原子的最佳吸附位置为T_D位.缺陷石墨烯对钠原子的吸附能是-4.423 eV,约为本征石墨烯对钠原子吸附能的2.5倍;钠原子与缺陷石墨烯中的碳原子发生轨道杂化,而与本征石墨烯没有发生轨道杂化现象.缺陷石墨烯能够吸附10个钠原子,与本征石墨烯相比显著提高.因此,缺陷石墨烯有望成为一种潜在的储钠材料.     

Effect of ultrasound on adsorption of Geniposide on polymeric resin

The effects of pulse ultrasound with different pulse parameter on the adsorption isotherm and kinetics of Geniposide on Resin 1300 were studied. And the mass transfer model describing the adsorption process was constructed. Amount of Geniposide adsorbed on Resin 1300 in the presence of ultrasound is lower than that in the absence of ultrasound. At our experimental conditions, the adsorption equilibrium constant decreases with increasing ultrasonic intensity and pulse duty ratio, and with decreasing pulse period. In addition, pulse ultrasound can enhance both liquid film diffusion and intraparticle diffusion, and the intensification of liquid film diffusion with pulse ultrasound is stronger than that of intraparticle diffusion. The intraparticle diffusion coefficient D(e)/R2 increases with increasing ultrasonic intensity and pulse duty ratio, and with decreasing pulse period.     

应力对硅烯上锂吸附的影响

本文采用基于密度泛函理论的第一性原理平面波赝势方法研究了双轴应力作用下锂原子吸附硅烯的结构及其稳定性. 计算结果表明,在拉应力和一定的压应力作用下,锂吸附的硅烯体系基本保持原有的结构. 而当更大的压应力作用时,硅烯产生了向锂原子方向凸起的结构变化,所得到的体系的总能也有明显地下降. 本文通过对各种应力下的硅烯声子谱的计算,分析了在压应力作用下锂吸附的硅烯结构不稳定的原因. 关键词： 硅烯 应力 第一性原理 声子谱     

Effect of CO on hydrogen adsorption on palladium

Coadsorption of H₂ and CO on Pd has been studied using TDS and ESD techniques. It has been observed that the presence of 10% CO in the H₂ dosing gas during exposure gives rise to a drastic change in the TDS spectra of H₂ compared to the case when only H₂ is separately adsorbed. Furthermore, significant modifications occur in the ESD energy distribution of CO⁺ and H⁺ as a result of coadsorption of H₂ and CO. These observations are taken as evidence of adsorbate interaction possibly resulting in formation of an HCO surface complex.     

五边形石墨烯负载Pt单原子稳定性能的应变调控

基于密度泛函理论的第一性原理计算方法,研究了Pt原子在五边形石墨烯(PG)上的吸附与动力学行为.研究结果表明,单个Pt原子在PG上虽然具有较大的吸附能及较高的扩散势垒,却不能够在衬底形成均匀分散的单原子.这是因为,随Pt原子数增加,Pt_n(n=1, 2, 3)在PG上的平均结合能也逐渐增加,更倾向于形成团簇,该发现有效否定了之前的报道称Pt能在PG上形成稳定的单原子催化剂这一结论(Phys. Chem. Chem. Phys. 21, 12201 (2019)).基于此,我们考虑对PG施加双轴应变,随着拉伸应力增加,Pt金属原子间的平均结合能逐渐降低,当拉伸应变施加至12%左右时,单个Pt在衬底上的结合能与Pt₂在衬底上的平均结合能相等,从而实现PG上均匀分散的Pt单原子催化剂.该结果对五边形石墨烯基材料应变调控实现单原子催化剂提供理论借鉴.     

Effects of ultrasound on adsorption-desorption of p-chlorophenol on granular activated carbon

The aim of this work is the evaluation of the effects of ultrasound on p-chlorophenol adsorption-desorption on granular activated carbon. Adsorption equilibrium experiments and batch kinetics studies were carried out in the presence and the absence of ultrasound at 21 kHz. Results indicate that the adsorption of p-chlorophenol determined in the presence of ultrasound is lower than the adsorption observed in the absence of ultrasound. Desorption of p-chlorophenol from activated carbon with and without the application of ultrasound was studied. The desorption rates were favoured by increased ultrasound intensity. This rise is more noticeable as temperature increases. The addition of ethanol or NaOH to the system causes an enhancement of the amount of p-chlorophenol desorbed, especially in the presence of ultrasound. A synergetic enhancement of the desorption rate was observed when ultrasonic irradiation was coupled with ethanol chemical regeneration.     

氧化锌薄膜Zn/O比和发光性能的关系

用直流反应溅射在硅基片上生长具有高取向晶粒的氧化锌薄膜,在氧气、氮气、空气气氛和不同温度下进行热处理,对所得到的样品用俄歇谱(AES)仪进行元素深层分布分析,并测量光致发光光谱。研究结果表明：1．经热处理的薄膜表面全部为缺氧表面,不同深度Zn和O含量分布(Zn／O)有所不同;2．当在氧气氛中1000℃下热处理后,在薄膜的深层可产生比较明显的氧过量;而在空气中950℃下热处理后,则可产生局部氧过量;3．光致发光谱表明,薄膜中全部为锌过量时产生纯紫外发射,而具有局部氧过量的薄膜则在产生紫外发射的同时产生绿色发光,绿光和紫外的强度比则随局部氧过量增多而增大。     

Influence of domain boundaries on polarity of GaN grown on sapphire

GaN films were grown on sapphire substrates by laser-induced reactive epitaxy. The domains in the films were determined to be the Ga-polarity by the convergent beam electron diffraction (CBED) technique, while the adjacent matrices had the N-polarity. The domain boundaries were characterized as inversion domain boundaries (IDBs). An atomic structure of the IDB is proposed based on high-resolution transmission electron microscopy (HRTEM) investigations. Control of the polarity of GaN/sapphire films was achieved by suppressing the formation of IDBs with an interlayer of AlGaN and a low-temperature GaN buffer layer.     

氧掺杂对钠在石墨烯上吸附性能的影响

采用基于密度泛函理论的第一性原理方法,研究了本征石墨烯(P-graphene)和氧掺杂的石墨烯(O-graphene)吸附钠原子的吸附能、电荷密度、态密度以及储存量.结果表明,两种石墨烯中,钠原子的最佳吸附位置都是H位. O-graphene对钠原子的吸附能是-4.347 eV,比P-graphene对钠原子的吸附能(-0.71 eV)低很多. O-graphene中钠原子与氧原子和碳原子发生轨道杂化,P-graphene中没有杂化现象. O-graphene能够吸附10个钠原子,较P-graphene多.因此,O-graphene更适合储钠.     

论卫星抛射点在椭圆运动轨道上的位置

详细分析了人造地球卫星的椭圆轨道方程和在各种情况下卫星的抛射点在其椭圆运动轨道上的位置.     

The influence of potassium on the adsorption of hydrogen on iron

Preadsorption of potassium on Fe(100) and (111) surfaces causes an increase of the adsorption energy of hydrogen by about 2 kcal/mole and a lowering of the sticking coefficient for hydrogen adsorption by about a factor of two. Work function measurements indicate the existence of electronic interactions.     

缓冲层对InSb/GaAs薄膜质量的影响

InSb是制作3~5μm红外探测器的重要材料。在GaAs衬底上外延生长InSb,存在的主要问题在于两种材料间14.6%的晶格失配度,会引入较大的表面粗糙度以及位错密度,使外延材料的结构和电学性能均会受到不同程度的影响。通过系列实验,研究了在生长过程中缓冲层对薄膜质量的影响。利用高能电子衍射仪(RHHEED)得到了合适的生长速率和Ⅴ/Ⅲ比,研究了异质外延InSb薄膜生长中低温InSb缓冲层对材料生长质量以及不同外延厚度对材料电学性质的影响。采用原子力显微镜(AFM)、透射电子显微镜(TEM)、X射线双晶衍射(DCXRD)等方法研究了InSb/GaAs薄膜的表面形貌、界面特性以及结晶质量。通过生长合适厚度的缓冲层,获得了室温下DCXRD半高峰宽为172″,77 K下迁移率为64300 cm²·V^-1·s^-1的InSb外延层。     

辐照处理对油菜籽光谱特性影响的研究

针对油菜籽经过核辐照处理后其光谱反射特性会发生改变的特点,提出了应用可见／近红外光谱技术进行油菜籽的快速无损鉴别。利用偏最小二乘法和BP神经网络建立鉴别模型,并比较了不同光谱预处理方法、主成分数据变换方式及隐含层节点数对模型预测结果的影响。实验采用五种剂量辐照(50, 100, 150, 200Gy和不经核辐照处理)的油菜籽共135个样本进行建模,49个进行预测。结果显示,最优模型是原始光谱数据先经过中值滤波平滑法、附加散射校正及一阶求导法预处理。经PLS方法提取6个主成分经自然对数变换后,选取神经网络隐含层结点数为4个或9个。最优模型对是否经过核辐照处理的样本识别率达100%,对核辐照剂量预测精度为85.71%, 说明提出的方法可以用于评估核辐照处理对油菜籽光谱特性产生的明显影响。     

温度对微界面摩擦影响的研究

以微观界面摩擦为研究对象,分析了温度变化对材料摩擦性能的影响.基于Towle剪切强度-温度经验公式和晶格热动力学理论,推导出摩擦力与温度之间的理论计算公式.理论分析表明:当界面温度低于材料的德拜温度时,摩擦力随着温度的增加而降低.理论计算结果与原子力显微镜实验结果对比,发现二者趋势一致,表明本文提出的理论和方法可行. 关键词： 界面摩擦 真实接触面积 温度 摩擦力     

Proton-NMR study on chemisorption of ethylene on platinum powder

The high-temperature phase of ethylene on surfaces of Pt powder has been studied by proton-NMR in order to decide whether the surface species is the ethylidyne species (CH₃C) proposed by Kesmodel et al. or the multiple-bonded species (CH₂CH) proposed by Demuth. The observed NMR spectrum is not attributable to CH₃-groups on the surfaes, but can be interpreted as the superposition of two signals, one originating from CH₂-groups and the other from CH-groups. In other words, the results suggest that the surface species is the multiple-bonded species.     

Molecular Dynamics Simulation on Stability of Insulin on Graphene

通过分子动力学模拟研究了胰岛素与不同尺寸石墨烯的相互作用,并比较了固定的石墨烯与不固定的石墨烯对蛋白质吸附行为及动力学的影响. 通过分析胰岛素蛋白在吸附过程中构象与取向的变化和吸附过程的动力学行为证实了石墨烯对胰岛素蛋白的有效吸附. 通过对蛋白质结构的分析发现蛋白质的三级结构在所有的体系中均有不同程度的破坏,而蛋白质二级结构的稳定性则与体系有关,其中非固定的石墨烯因其具有较大柔性而表现出对蛋白质二级结构的破坏具有一定选择性. 同时还发现石墨烯的尺寸对于胰岛素的吸附动力学过程也有较大影响.