Simulation of quasi-dimensional combustion model for predicting diesel engine performance

In order to improve the precision of quasi-dimensional combustion model for predicting diesel engine performance and promote the real time operating performance of the simulation model, a new phase-divided spray mixing model is proposed and the quasi-dimensional combustion model of diesel engine working process is developed. The software MATLAB/Simulink is utilized to build the quasi-dimensional combustion model of diesel engine working process, and the performance for diesel engine is simulated. The simulation results agree with experimental data quite well. The comparisons between them show that the relative error of power and brake specific fuel consumption is less than 2.8% and the relative error of nitric oxide and soot emissions is less than 9.1%. By utilization of this simulation model with personal computer, the average computational time for one diesel engine working process is 36 s, which presents good real time operating performance of the model. At the same time, the influence of parameters in calculation of air entrainment on prediction precision of diesel engine’s simulation model is analyzed.     

Pretreating near infrared spectra with fractional order Savitzky–Golay differentiation(FOSGD)

With the aid of Riemann–Liouville fractional calculus theory,fractional order Savitzky–Golay differentiation(FOSGD) is calculated and applied to pretreat near infrared(NIR) spectra in order to improve the performance of multivariate calibrations.Similar to integral order Savitzky–Golay differentiation(IOSGD),FOSGD is obtained by fitting a spectral curve in a moving window with a polynomial function to estimate its coefficients and then carrying out the weighted average of the spectral curve in the window with the coefficients.Three NIR datasets including diesel,wheat and corn datasets were utilized to test this method.The results showed that FOSGD,which is easy to compute,is a general method to obtain Savitzky–Golay smoothing,fractional order and integral order differentiations.Fractional order differentiation computation to the NIR spectra often improves the performance of the PLS model with smaller RMSECV and RMSEP than integral order ones,especially for physical properties of interest,such as density,cetane number and hardness.     

Careful numerical simulation and analysis of migration-accumulation of Tanhai Region

Numerical simulation of careful parallel arithmetic of oil resources migration-accumulation of Tanhai Region (three-layer) was done. Careful parallel operator splitting-up implicit iterative scheme, parallel arithmetic program, parallel arithmetic information and alternating-direction mesh subdivision were put forward.Parallel arithmetic and analysis of different CPU combinations were done. This numerical simulation test and the actual conditions are basically coincident. The convergence estimation of the model problem has successfully solved the difficult problem in the fields of permeation fluid mechanics, computational mathematics and petroleum geology.     

Lower bounds for weak Byzantine agreement

Lower bounds for Byzantine agreement obtained by Dolev and Strong are shown, by a simpler method, also to be true for weak Byzantine agreement.This work was done while the author was studying at University of California, Santa Barbara, in 1984.     

一类肝靶向含钆大环磁共振对比剂的设计、制备与性能表征

肝靶向磁共振对比剂有助于肝细胞癌的早期诊断, 目前临床使用的线性对比剂存在导致病人肾源性系统性纤维化和钆离子沉积的风险. 本工作设计制备了一类含有乙氧芳基或甲氧苯基亲脂性基团、以DOTA-酰肼(DOTA: 1,4,7,10-tetraazacyclododecan-1,4,7,10-tetraacetic acid)为Gd³⁺离子螯合基团的大环类磁共振对比剂. 0.5 T磁场下测得其纵向弛豫率r₁值介于3.7~5.4 L•mmol^-1•s^-1, 优于临床使用对比剂Gd-DOTA, 弛豫率最高的为对比剂7h (Gd-DOTAH-EOPEI) (EOPEI: 1-(4-ethoxyphenyl)ethanimine), 略高于临床使用肝靶向对比剂Gd-EOB-DTPA (EOB: ethoxybenzyl; DTPA: diethylenetriaminepentaacetic acid), 比我们前期制得的肝靶向磁共振对比剂5d提高了约15%. 动物活体体内肝靶向磁共振成像研究显示, 所制备对比剂7b、7g和7h具有作为肝靶向磁共振对比剂的应用潜力. 结合弛豫率和活体体内成像数据, 筛选出了先导化合物7h.     

Influence of different inorganic salts on crystallization-driven morphological transformation of PCL-b-PEO micelles in aqueous solutions

Different inorganic salts, including NaSCN, NaCl, MgCl2 and Na2SO4, were added into the aqueous solution containing poly(ε-caprolactone)-b-poly(ethylene oxide)(PCL-b-PEO) semicrystalline micelles. The effects of inorganic salt on the micellar size and morphology were investigated with TEM and DLS. It is found that addition of NaSCN leads to increase of the micellar size, but the micelles remain to be spherical. By contrast, the other three inorganic salts can induce sphere-to-cylinder or sphere-to-lamella transformations of the PCL-b-PEO semicrystalline micelles. The alteration rate of the micellar size with the time after addition of the inorganic salts decreases in the following order: Na2SO4 NaCl ≈ MgCl2 NaSCN. These results were interpreted in terms of the "salting-out" ability of the cations and anions. The anions SO42- and Cl- have a stronger "salting-out" ability, driving the morphological transformations of the micelles and leading to a rapid change in micellar size. By contrast, SCN- has a weaker salting-out" ability. The cations Na+ and Mg2+ may associate with the PEO blocks, leading to a "salting-out" effect as well. However, the "salting-out" ability of cations is weaker than that of SO42- and Cl- anions, and the "salting-out" abilities of Na+ and Mg2+ are similar.     

Ultraviolet electroluminescence from ZnO-based light-emitting diode with p-ZnO:N/n-GaN:Si heterojunction structure

A p-ZnO:N/n-GaN:Si structure heterojunction light-emitting diode (LED) is fabricated on c-plane sapphire by full metal organic chemical vapor deposition (MOCVD) technique. The p-type layer with hole concentration of 8.94×10¹⁶ cm⁻³ is composed of nitrogen-doped ZnO using NH₃ as the doping source with subsequent annealing in N₂O plasma ambient. Silicon-doped GaN film with electron concentration of 1.15×10¹⁸ cm⁻³ is used as the n-type layer. Desirable rectifying behavior is observed from the current-voltage (I-V) curve of the device. The forward turn on voltage is about 4 V and the reverse breakdown voltage is more than 7 V. A distinct ultraviolet (UV) electroluminescence (EL) with a dominant emission peak centered at 390 nm is detected at room temperature from the heterojunction structure under forward bias conditions. The origins of the EL emissions are discussed in comparison with the photoluminescence (PL) spectra.     

利用空间位阻和氢溢流协同作用促进5-羟甲基糠醛选择性加氢制备5-甲基糠醛

Selective hydrogenation is a vital class of reaction. Various unsaturated functional groups in organic compounds, such as aromatic rings, alkynyl (C≡C), carbonyl (C＝O), nitro (-NO₂), and alkenyl (C＝C) groups, are typical targets in selective hydrogenation. Therefore, selectivity is a key indicator of the efficiency of a designed hydrogenation reaction. 5-(Hydroxymethyl)furfural (HMF) is an important platform compound in the context of biomass conversion, and recently, the hydrogenation of HMF to produce fuels and other valuable chemicals has received significant attention. Controlling the selectivity of HMF hydrogenation is paramount because of the different reducible functional groups (C＝O, C-OH, and C＝C) in HMF. Moreover, the exploration of new routes for hydrogenating HMF to valuable chemicals is becoming attractive. 5-Methylfurfural (MF) is also an important organic compound; thus, the selective hydrogenation of HMF to MF is an essential synthetic route. However, this reaction has challenging thermodynamic and kinetic aspects, making it difficult to realize. Herein, we propose a strategy to design a highly efficient catalytic system for selective hydrogenation by exploiting the synergy between steric hindrance and hydrogen spillover. The design and preparation of the Pt@PVP/Nb₂O₅ catalyst (PVP = polyvinyl pyrrolidone; Nb₂O₅ = niobium(V) oxide) were also conducted. Surprisingly, HMF could be converted to MF with 92% selectivity at 100% HMF conversion. The reaction pathway was revealed through the combination of control experiments and density functional theory calculations. Although PVP blocked HMF from accessing the surface of Pt, hydrogen (H₂) could be activated on the surface of Pt due to its small molecular size, and the activated H₂ could migrate to the surface of Nb₂O₅ through a phenomenon called H₂ spillover. The Lewis acidic surface of Nb₂O₅ could not adsorb the C＝O group but could adsorb and activate the C-OH group of HMF; therefore, when HMF was adsorbed on Nb₂O₅, the C-OH groups were hydrogenated by the spilled over H₂ to form MF. The high selectivity of this reaction was realized because of the unique combination of steric effects, hydrogen spillover, and tuning of the electronic states of the Pt and Nb₂O₅ surfaces. This new route for producing MF has great potential for practical application owing to its discovered advantages. We believe that this novel strategy can be used to design catalysts for other selective hydrogenation reactions. Furthermore, this study demonstrates a significant breakthrough in selective hydrogenation, which will be of interest to researchers working on the utilization of biomass, organic synthesis, catalysis, and other related fields.      

基于蒙卡和粒子示踪程序的电子成像模拟分析

借助理论分析和数值模拟,设计了基于高能电子束团的辐射成像系统,并通过Geant4和GPT软件对成像系统的相关参数进行了优化。模拟中分析了影响系统空间分辨率及物质厚度分辨率的因素,结果显示,模拟中设计的成像系统空间分辨率达到m量级,并且具有一定的厚度分辨能力。该设计指标满足对一定厚度及结构的样品进行成像的要求。