ON THE NONLOCAL SYMMETRIES OF THE μ-CAMASSA–HOLM EQUATION

The μ-Camassa–Holm (μCH) equation is a nonlinear integrable partial differential equation closely related to the Camassa–Holm and the Hunter–Saxton equations. This equation admits quadratic pseudo-potentials which allow us to compute some first-order nonlocal symmetries. The found symmetries preserve the mean of solutions. Finally, we discuss also the associated μCH equation.     

Overtone spectroscopy of some benzaldehyde derivatives

Overtone spectrum of o, m and p-nitrobenzaldehydes and p-chlorobenzaldehyde has been studied in 2000–12000 cm⁻¹ region. Vibrational frequencies and anharmonicity constants for aryl as well as alkyl CH stretch vibrations have been determined. We have also determined the internuclear distances for the aryl CH bond in the different molecules. The small variation observed in these distances is an indication of the substitution effect. It is observed that in the case of p-disubstituted benzens, the shift in aryl CH bond is proportional to sum of the Hammet σ of the substituents. However in the case of o-disubstituted benzenes it is only 80% of the para-substituted shift.     

基于TDLAS技术的CH4气体检测与温度补偿方法

CH₄气体的精准检测对防止矿井瓦斯爆炸,确保安全生产至关重要。目前基于可调谐半导体激光吸收光谱技术（TDLAS）存在因温度变化导致气体浓度测量误差较大。探究了基于TDLAS的CH₄气体检测系统与温度补偿方法,分析温度对CH₄气体吸收谱线的影响,通过算法补偿模型消除环境温度对CH₄气体检测的影响。依据TDLAS技术原理及相关理论,对系统发射单元、吸收池、信号接收单元、数据处理单元进行设计,搭建了基于TDLAS技术的CH₄气体浓度检测系统,实验检测了不同环境温度（10~50 ℃）时0.04%CH₄气体浓度,分析温度变化对CH₄气体在波长为1.653 μm处吸收谱线强度和半宽度的影响。为消除温度对CH₄气体检测的影响并提高补偿效果,采用粒子群优化算法（PSO）优化BP神经网络（BPNN）的最佳权值和阈值,建立CH₄气体的PSO-BP温度补偿模型,克服了BP神经网络收敛速度慢、易陷入局部最优的缺点。结果表明：（1）基于TDLAS的CH₄气体检测浓度随环境温度升高而下降,整个实验温度内相对误差范围为4.25%~12.13%,不同环境温度下CH₄气体检测浓度与温度之间的关系可用一元三次多项式表示;（2）CH₄气体的吸收强度和半宽度随着温度的升高而下降,与温度变化之间的关系为单调递减函数,温度对CH₄气体吸收谱线强度的相对变化率大于吸收谱线半宽度的相对变化率,CH₄气体吸收谱线的强度更容易受温度变化的影响;（3）BP神经网络和PSO-BP模型测试样本的绝对平均误差（MAE）分别为12.88%和1.81%,平均绝对百分比误差（MAPE）分别为2.3%和0.3%,均方根误差（RMSE）分别为15.96%和2.69%,相关系数R2分别为0.980 6和0.999 6。通过建立PSO-BP温度补偿模型,补偿效果大部分分布在±1.0%的误差范围内,MAE,MAPE,RMSE和R2等评价指标均大幅度提升,对提高TDLAS技术在矿井CH₄的精准检测具有一定的参考意义。     

CH_3SO+HO_2气相反应机理与主通道速率常数

在MPW1PW91/6-311G(d,p)水平上优化了标题反应各驻点物种的几何构型,并在相同水平上通过频率计算和内禀反应坐标(IRC)分析对过渡态结构及连接性进行了验证.采用QCISD(T)/6-311G(d,p)方法对所有驻点及反应路径的部分选择点进行单点能校正,分别构建了CH3SO+HO2反应体系的单、三重态反应势能剖面.研究结果表明,CH3SO+HO2反应体系存在6条反应通道7条路径,优势通道(1)R→3IM→P1(CH3SOH+3O2)发生在三重态势能面上,此通道包含两条路径,其表观活化能分别为12.01和-30.04kJ?mol-1,主路径(2)R→3IM→3TS2→P1(CH3SOH+3O2)是一个无势垒氢迁移过程.利用经典过渡态理论(TST)与变分过渡态理论(CVT)并结合小曲率隧道效应模型(SCT),分别计算了主路径(2)在200～2500K温度范围内的速率常数kTST,kCVT和kCVT/SCT,在此温度区间内的表观反应速率常数三参数表达式为kCVT/SCT=4.08×10-24T3.13exp(8012.2/T)cm3imolecule-1is-1,具有负温度系数效应.速率常数计算结果显示,变分效应在计算温度段内影响较小,而量子力学隧道效应在低温段有显著影响.     

Pt-Ru合金薄膜的电沉积制备及其电化学表面增强红外吸收光谱

在1mmol·L-1H2PtCl6+1mmol·L-1RuCl3+0.1mol·L-1H2SO4镀液中采用电沉积法在化学镀金膜的红外窗口Si反射面上制备Pt50Ru50合金电极.利用原子力显微镜(AFM)可以观察到制备的Pt50Ru50合金电极形貌呈现出100-200nm大小的颗粒.常规电化学分析方法得出该电极具有典型的合金特征,对CO和CH3OH具有很好的催化氧化作用.应用电化学现场衰减全反射表面增强红外光谱法(ATR-SEIRAS)可以观察到该电极上Pt位和Ru位上CO的振动谱峰,且表现出Pt-Ru二元金属良好的协同催化性能.     

Reactions of 3-iodolevoglucosenone with sodium derivatives of some CH acids. Chiral cyclopropanes and stable oxetenes

3-Iodolevoglucosenone reacts with the sodium derivative of ethyl cyanoacetate at −60°C to give a tetrasubstituted cyclopropane derivative; similar reactions of the sodium derivatives of ethyl acetoacetate and acetylacetone at −60 °C afford the expected transformed Michael adducts, while at 20 °C,O,C-dialkylated products of the oxetene series are formed. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp 152–156, January, 1999.     

Dynamic chirality in selected diaryl methane containing drugs. An exploratory ab initio conformational study

Diaryl methane molecules (Ar–CH₂–Ar) represent double rotor conformational problems. The simplest diaryl methane, diphenyl methane (Ph–CH₂–Ph), governs certain symmetric conformational potential energy surface (PES) topology. With the replacement of one of the phenyl groups by a heterocyclic moiety, the PES topology may change dramatically. The induction of point-chirality, in the prochiral CH₂ group, by axis-chirality or plane-chirality is explored within the framework of ‘dynamic chirality’.     

Some further observations on the systems cellulose/trifluoroacetic acid/CH2Cl2 and cellulose triacetate/TFA/CH2Cl2

There is little or no trifluoroacetylation of cellulose dissolved in TFA-CH₂Cl₂ admixtures. Both cellulose and cellulose triacetate (CTA)are slowly degraded in the solvent. Cellulose forms a mesophase as low as 4%(w/w)concentration, but CTA has a much higher critical concentration, 20% (w/w), in TFA-CH₂Cl₂. The cellulose behaves as a rigid rod in TFA-CH₂Cl₂ (70/30v/v) and its persistence length calculated using the lattice model approximates its chain length, presumably due to extensive interaction with the solvent. As expected, due to low polymer-solvent interactions, the persistence length of CTA in TFA-CH₂Cl₂ is only one-fourth the chain length.     

合成碳纳米管的镍基催化剂中镧的作用

CH4在Ni—Mg和Ni—La—Mg催化剂上裂筋制得两种碳纳米管，通过TKM,BKT，XRD，TG等方法对两种催化剂上所合成的碳纳米管进行检测比较，发现La的加入，使碳纳米管的管径变细，管壁变薄，碳纳米管管壁的石墨化程度更高，热稳定性更好，对碳纳米管的产量没有多大影响。     

Formation of molten metal films during metal-on-metal slip under extreme interfacial conditions

The present paper describes results of plate-impact pressure-shear friction experiments conducted to study time-resolved growth of molten metal films during dry metal-on-metal slip under extreme interfacial conditions. By employing tribo-pairs comprising hard tool-steel against relatively low melt-point metals such as 7075-T6 aluminum alloys, interfacial friction stress ranging from 100 to and slip speeds of approximately have been generated. These relatively high levels of friction stress combined with high slip-speeds generate conditions conducive for interfacial temperatures to approach the melting point of the lower melt point metal (Al alloy) comprising the tribo-pair.A Lagrangian finite element code is developed to understand the evolution of the thermo-mechanical fields and their relationship to the observed slip response. The code accounts for dynamic effects, heat conduction, contact with friction, and full thermo-mechanical coupling. At temperatures below the melting point the material is described as an isotropic thermally softening elastic-viscoplastic solid. For material elements with temperatures in excess of the melt point a purely Newtonian fluid constitutive model is employed.The results of the hybrid experimental-computational study provides new insights into the thermoelastic-plastic interactions during high speed metal-on-metal slip under extreme interfacial conditions. During the early part of frictional slip the coefficient of kinetic friction is observed to decrease with increasing slip velocity. During the later part transition in interfacial slip occurs from dry metal-on-metal sliding to the formation of molten Al films at the tribo-pair interface. Under these conditions the interfacial resistance approaches the shear strength of the molten aluminum alloy under normal pressures of approximately 1- and shear strain rates of . The results of the study indicate that under these extreme conditions molten aluminum films maintain a shearing resistance as high as .Scanning electron microscopy of the slip surfaces reveal molten aluminum to be smeared on the tribo-pair interface. Knoop hardness measurements in 7075-T6 Al alloy at various depths from the slip interface indicate that the hardness increases approximately linearly with depth and reaches a plateau at approximately from the surface.