Why to synthesize vaterite polymorph of calcium carbonate on the cellulose matrix via sonochemistry process?

Vaterite is an important biomedical material due to its features such as high specific surface area, high solubility, high dispersion, and small specific gravity. The purposes of this article were to explore the growth mechanism of vaterite on the cellulose matrix via sonochmistry process. In the work reported herein, the influences of experimental parameters on the polymorph of calcium carbonate were investigated in detail. The calcium carbonate crystals on the cellulose matrix were characterized by means of X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). Experimental results revealed that all the reactants, solvent, and synthesis method played an important role in the polymorph of calcium carbonate. The pure phase of vaterite polymorph was obtained using Na₂CO₃ as reactant in ethylene glycol on the cellulose matrix via sonochmistry process. Based on the experimental results, one can conclude that the synthesis of vaterite polymorph is a system process.     

PM10 formation during the combustion of N2-char and CO2-char of Chinese coals

The formation of PM₁₀ (particles less than or equal to 10 μm in aerodynamic diameter) during char combustion in both air-firing and oxy-firing was investigated. Three Chinese coals of different ranks (i.e., DT bituminous coal, CF lignite, and YQ anthracite) were devolatilized at 1300 °C in N₂ and CO₂ atmosphere, respectively, in a drop tube furnace (DTF). The resulting N₂-chars and CO₂-chars were burned at 1300 °C in both air-firing (O₂/N₂ = 21/79) and oxy-firing (O₂/CO₂ = 21/79). The effects of char properties and combustion conditions on PM₁₀ formation during char combustion were studied. It was found that the formation modes and particle size distribution of PM₁₀ from char combustion whether in air-firing or in oxy-firing were similar to those from pulverized coal combustion. The significant amounts of PM_0.5 (particles less than or equal to 0.5 μm in aerodynamic diameter) generated from combustion of various chars suggested that the mineral matter left in the chars after coal devolatilization still had great contributions to the formation of ultrafine particles even during the char combustion stage. The concentration of PM₁₀ from char combustion in oxy-firing was generally less than that in air-firing. The properties of the CO₂-chars were different from those of the N₂-chars, which was likely due to gasification reactions coal particles experienced during devolatilization in CO₂ atmosphere. Regardless of the combustion modes, PM₁₀ formation in combustion of N₂-char and CO₂-char from the same coal was found to be significantly dependent on char properties. The difference in the PM₁₀ formation behavior between the N₂-char and CO₂-char was coal-type dependent.     

Effect of defects on the electronic structure of a PbI2/MoS2 van der Waals heterostructure: A first-principles study

PbI2/MoS2,as a typical van der Waals(vdW)heterostructure,has attracted intensive attention owing to its remarkable electronic and optoelectronic properties.In this work,the effect of defects on the electronic structures of a PbI2/MoS2 heterointerface has been systematically investigated.The manner in which the defects modulate the band structure of PbI2/MoS2,including the band gap,band edge,band alignment,and defect energy-level density within the band gap is discussed herein.It is shown that sulfur defects tune the band gaps,iodine defects shift the positions of the band edge and Fermi level,and lead defects realize the conversions between the straddling-gap band alignment and valence-band-aligned gap,thus enhancing the light-absorption ability of the material.     

快凝Pd82Si18合金原子团簇的演化特性及遗传机制

采用分子动力学(MD)模拟计算,对Pd82Si18合金快凝过程中基本原子团簇的遗传特性、演化趋势和结构稳定性进行了研究.团簇类型指数法(CTIM)分析表明:非晶固体中Si原子为中心的(102/14418/1551)双帽阿基米德反棱柱(BSAP)团簇数目占据优势.快凝过程中,BSAP结构团簇具有最大的遗传分数,并且其他以Si原子为中心的Kasper团簇大多都会向BSAP结构团簇转变.通过对Si原子为中心的Kasper基本团簇电子性质第一性原理计算发现,体系中BSAP团簇的结合能最低,结构稳定性较高,与分子动力学计算结果一致.     

双稳态结构中的1/2次谐波共振及其对隔振特性的影响

以典型的双稳态系统——屈曲梁结构为例,基于等效模型,结合解析、数值和实验手段,研究了双稳态结构中的1/2次谐波共振特性、演化过程、参数调节规律及其对隔振特性的影响.研究发现,当非线性刚度系数或激励幅值增加到一定程度时,系统会在一定带宽下产生显著的1/2次谐波共振;随着激励幅值增加,阻尼系统的1/2次谐波遵循“产生-增强-衰退-消失”的过程,该过程对峰值频率和峰值传递率有重要影响;适当提高非线性强度能有效改善双稳态结构隔振特性.针对双稳态屈曲梁结构开展的实验验证了1/2次谐波特性和隔振特性变化规律.     

基于非线性光纤环形镜的少模脉冲幅度调制再生器

随着网络带宽需求的快速增加,波分复用系统的容量已接近非线性香农极限.为了适应未来网络的发展,空分复用技术引起了越来越多的关注.本文首次提出基于少模非线性光纤环形镜(FM-NOLM)的脉冲幅度调制(PAM)全光再生器,描述了其工作原理和具体设计过程.采用COMSOL软件对组成FM-NOLM的硫化物高非线性光纤进行了模式特性仿真.以LP01,LP11,LP21三个光纤模式为例,确定了再生器的参数,计算出每个模式的功率转移函数曲线.仿真分析了该少模PAM-4全光再生器的噪声抑制(NRR)性能,并与单模情形进行了比较.研究表明,1)对于每个空间模式的PAM信号,所有再生电平具有一致的功率转移性能;2)当输入信噪比(SNR)约大于20 dB时,三种模式的噪声抑制比均可超过3 dB,并随着输入信噪比线性增加,其斜率约为1.2;3)在相同输入SNR条件下,三种模式的噪声抑制比相差不大,不超过1.1 dB.为了说明再生器的再生性能,当输入SNR为25 dB时,我们还给出了再生前后PAM-4信号的功率分布直方图.与现有的再生方案相比,本文方案的均匀多电平再生转移性能,使其更适合高频谱效率的长距空分复用系统和任意电平数的PAM信号再生.此外,该方案也能够扩展到波长域,有效提高光通信系统的传输容量.     

封闭空间声场重构的多层等效源法

对于封闭空间内的多途反射声,传统的等效声源法将其等效为距离边界一定距离的单层等效声源体进行声场重构,然而等效源与边界的距离选取依据不确定。因此,为获得等效声源配置的最优距离,在等效声源法(ESM)的基础上构建多层等效声源,提出一种适用于封闭环境声场重构的多层等效声源法(MESM),并依据等效声源的空间分布的稀疏性来获得等效声源强度信息。首先给出多层等效源法的理论依据,其次通过数值计算以及实验测试两种方式对比验证了所提方法。数值结果表明:MESM相比于ESM可在600 Hz以上频段获得低5~10 dB左右的重构误差,但是200 Hz以下的低频重构误差会增加5 dB左右。实验结果表明:MESM可比ESM获得更低的重构误差。文章最后基于数值计算研究了所提方法的主要影响因素。研究表明:虽然MESM会比ESM耗费2倍的计算时间,但在整体频率范围内,MESM可在ESM基础上提升600 Hz以上的重构性能。另外,等效声源的层数和层内数目的改变不会影响声场重构性能,而当传声器数目较多、阵列位置随机、空间边界的吸声系数不是很大时,MESM可获得比ESM更低重构误差,特别是600 Hz以上的中频段区间。     

A solvent-governed surface state strategy for rational synthesis of N and S co-doped carbon dots with multicolour fluorescence

ABSTRACT

Multicolour emissive carbon dots (CDs) are widely investigated by virtue of their merits on fluorescent properties. Method on heteroatom doping assisted with various solvents has been proved efficient in achieving multiple-colour-emissive CDs, especially long-wavelength emission. Herein, a synthesis of multicolour-emissive CDs by controlled surface function is reported. By tuning the thermal-pyrolysis temperature and molar ratio of reactants, optimal emission of the resulted CDs gradually shifts from blue to yellow light with the assistance of different solvents. According to the emissive relationship dependent on excitation, fluorescence lifetimes, and FT-IR of these CDs, the different surface states participated with S and N elements on the surface of carbogenic core govern fluorescent colours of the CDs. In terms of the applications, blue CDs (B-CDs) exhibits high sensitivity for ion detections of Ag⁺ and Fe³⁺, which is further illustrated to have different quenching mechanisms each other because that these ions have the affinity interaction with different surface groups of the CDs. Moreover, blue and yellow CDs solutions are mixed with PVP water solution to fabricate white-light CDs/PVP film, which exhibits stable fluorescence with a CIE coordinate of (0.32, 0.33) and endows these CDs as potentially fluorescent nanomaterial in the solid state lighting field.     

Can (H2O) n (n = 1–2) as effective catalysts in the CH2OO + H2S reaction under tropospheric conditions?

The addition reaction of CH₂OO?+?H₂S → HSCH₂OOH without and with catalyst X (X?=?H₂O and (H₂O)₂) has been investigated by CCSD(T)-F12a/VTZ-F12//B3LYP/aug-cc-pVTZ method and canonical variational transition state theory with small curvature tunneling correction. When H₂O was introduced in the CH₂OO?+?H₂S reaction, it not only acts as a catalyst for producing HSCH₂OOH, but also plays as a reactant to forming HOCH₂OOH. The formation channel of HSCH₂OOH is more important than the formation channel of HOCH₂OOH with its calculated rate constant larger by 11.0–43.2 times within the temperature 280–320?K. Then, (H₂O)₂ catalysed CH₂OO?+?H₂S → HSCH₂OOH reaction has been taken into account with its rate lower 1.9–4.2 times than the reaction of CH₂OO?+?H₂S → HSCH₂OOH with water. Also, CH₂OO?+?H₂S with H₂O cannot compete with the CH₂OO?+?H₂S reaction without water. This is different from CH₂OO?+?(H₂O)₂ reaction, which is about 4 orders of magnitude larger than the rate constant for CH₂OO?+?H₂O reaction. Such discrepancy is possible because C(CH₂OO)···O(H₂O) interaction has been enhanced more obviously by H₂O as compared to that of C(CH₂OO)···O(H₂S) interaction.     

轮背空腔-密封气对CAES向心涡轮变工况流动损失的影响

本文以国内首套MW级压缩空气储能(CAES)系统末级向心涡轮为研究对象,通过数值模拟分析了变工况条件下轮背空腔-密封气对等熵效率和流场结构的影响.结果表明:在求解中考虑轮背空腔-密封气结构能够使等熵效率数值解的偏差减小0.7%;随涡轮进口压力增加,轮背空腔泄漏流由叶片吸力面中部叶高区域逐渐向轮毂转移,流动损失先增加后减小;合理降低轮背空腔泄漏气体的轴向速度,能够减弱轮背空腔-密封气结构对等熵效率的负面影响,使向心涡轮在较宽的变工况范围内都保持高效运行.