近红外漫反射光谱法快速检测火药吸收药混合液中黑索今组分含量

研究了采用近红外( NIR)漫反射光谱技术快速检测火药吸收药混合液中黑索今( RDX)组分含量的方法。将装有混合液样品的烧杯置于光谱仪主机光源窗口上方,直接采集样品光谱图。通过分析纯RDX和样本的近红外光谱,确定908~945 nm、1094~1253 nm和1577~1678 nm作为建模谱区。通过比较不同的光谱预处理办法的效果,选择标准正态变换( SNV )＋一阶导数＋谱线平滑对原始光谱进行预处理。采用偏最小二乘方法(PLS)对RDX组分建立了定量线性校正模型。结果表明：模型的交叉验证决定系数(R2cv)为0.9879,交叉验证均方根误差(RMSECV)为0.2420,预测均方根误差(RMSEP)为0.2127,预测结果的平均相对误差为0.5661％,25 s内完成样品分析。该方法可给改性双基火药的连续自动化生产提供技术支持。     

双基火药储存过程中安定剂含量的快速检测技术

为解决传统检测方法耗时长、操作复杂等问题,研究了近红外光谱法快速定量检测双芳 3双基火药中安定剂含量的可行性。通过分析安定剂的特征光谱区间,得到合适的建模波段。采用不同的光谱预处理方法和选取最佳主因子数优化模型,使用偏最小二乘法建立安定剂的定量校正模型,对模型进行了外部验证。结果表明:使用1 100~ 1 248 nm、1 323~ 1 515 nm波段,采用标准正态变量变化（SNV）预处理原始光谱,主因子数为7时建立的定量校正模型的预测准确性和稳定性较高。校正模型决定系数(R²_C)以及交互验证的决定系数(R²_CV)分别为0.991和0.987;校正标准偏差（R_MSEC）和交互验证的标准偏差（R_MSECV）分别为0.065和0.077。使用预测集样品对建立的最佳校正模型进行外部验证,安定剂含量预测值与参考值的平均误差为0.044%。该方法可用于双芳-3双基火药中安定剂含量的快速检测。维也里试验证明,近红外光谱法可以用于评估双芳-3双基火药安定性的好坏。     

近红外光谱技术检测烟叶中的氨基酸

研究应用傅里叶变换近红外光谱法快速测定烟叶中氨基酸含量的可行性,使用偏最小二乘法(PLS)为建模方法,选择3800~8000 cm-1谱段,采用二阶导数和Norris Derivative滤波法进行光谱预处理,建立了烟叶中氨基酸含量的近红外预测模型。采用留一(leave-one-out)交叉验证法进行建模,并以校正集样品的交叉验证相关系数(R)和均方差(RMSECV)为指标优化光谱预处理方法和模型参数,确定最佳预测模型。将近红外光谱技术与常规标准检测方法相比较,结果表明,近红外光谱技术可以较为准确的测定烟叶中氨基酸的含量。     

近红外光谱与模型集群分析测定毛涤混纺织物成分含量

将近红外光谱法和模型集群分析方法应用于毛涤混纺织物成分含量的快速无损测定。以近红外测量方法采集93个毛涤混纺织物的光谱信号,利用光谱预处理消除信号漂移的影响,在模型集群分析基础上,剔除异常样本,筛选出30个关键波长,采用偏最小二乘法(PLS)建立涤纶含量的预测模型。所建立模型的训练集相关系数r2为0.9827、交互验证均方误差(RMSECV)为3.26、预测均方根误差(RMSEP)为3.34,预测结果令人满意,适合于毛涤混纺织物中涤纶含量的快速、无损检测。     

近红外光谱结合神经网络判别茶鲜叶产地

为快速、无损的判别鲜叶产地,维护恩施玉露的地理标志产品属性,采集恩施市芭蕉乡、白果乡和咸丰县茶鲜叶近红外光谱,经光谱预处理后,对校正集66个样品光谱数据进行主成分分析,然后建立BP神经网络预测模型,对验证集鲜叶样品的产地进行了预测,建立了8(输入节点)-4(隐含层节点)-1(输出节点)三层网络模型,验证集样品判别准确率为100%.近红外光谱技术结合神经网络能够快速、准确地判别茶鲜叶产地.     

基于近红外光谱建立大黄鱼新鲜度预测模型

目的 通过近红外光谱技术对不同贮藏时间下冰鲜大黄鱼的鲜度进行评价。方法 以菌落总数为鲜度评价指标,基于均值中心化、标准正态变量变换、趋近归一化法（Normalization by Closure, Ncl）、多元散射校正、一阶导数和二阶导数等预处理方法,运用偏最小二乘法（Partial Least Squares, PLS）建模,比较所建模型的定标集与验证集间的相关系数和标准偏差,构建大黄鱼冰藏期间菌落总数的定量模型,以期快速预测其新鲜度。结果 Ncl比其它预处理方法可以更好地消除光谱噪音,提高模型的预测能力。经Ncl光谱预处理,利用PLS建模,可达到最佳的建模效果,其定标集相关系数为0.9095,校正标准偏差相关系数为0.5872,验证集相关系数为0.8858,预测标准偏差为0.6615。模型相关系数>0.9;结论 表明该模型预测精度较好,在大黄鱼新鲜度检测和品质评价方面应用前景良好。     

利用红外光谱技术快速分析油品中的芳烃含量

本文通过红外光谱技术和化学计量学方法建立了汽油中芳烃含量的快速分析方法。采集20种芳烃-汽油样品的红外光谱图进行平滑预处理,使用预处理后光谱的全谱段建立偏最小二乘法校正模型,此模型的交叉验证均方根误差是0.1271,线性相关系数是0.9995。该校正模型成功地实现了4种汽油样品中芳烃含量的准确预测,其预测均方根误差是0.0705,预测整体平均偏差是-0.0418。实验结果表明,基于红外光谱技术的芳烃含量检测方法是一种简便、快速、可靠的分析手段,可以实现油品中芳烃含量的准确测定。     

猕猴桃挤压损伤高光谱快速检测研究

目的 探究猕猴桃挤压损伤较优的快速无损判别方法。方法 利用高光谱成像系统获得所有猕猴桃的高光谱图像,并提取猕猴桃损伤区域以及完好无损区域的光谱反射率;运用多元散射校正方法对原始反射光谱进行预处理,并运用主成分分析对光谱数据降维;比较并分析Fisher判别分析方法以及简化的K最近邻(Simplified K Nearest Neighbor,SKNN)模式识别方法对猕猴桃挤压损伤的判别效果。结果 在710~850 nm和960~1 030 nm这2个波段内,猕猴桃损伤区域的平均光谱反射率与完好无损区域的平均光谱反射率存在较明显差异;采用主成分分析从256个全波段中筛选了前5个主成分作为新变量,识别模型的检测效率得到了提升;构建的SKNN和Fisher模型对预测集中样本的正确识别率均为93.3%,从SKNN识别模型的混淆矩阵中得出,预测集中仅有2个样本出现误判,并且SKNN模型对校正集中样本的正确识别率高于Fisher模型。结论 在判别猕猴桃挤压损伤时,SKNN识别模型具有相对较好的判别效果。     

绿茶汤中茶多酚近红外定量分析的光程选择

研究了光程对近红外定量分析绿茶汤中茶多酚的影响.以不同光程(1 mm,2 mm,5 mm)的样品池采集50个绿茶汤样品的近红外透射光谱.采用偏最小二乘法(PLS)建立茶汤中茶多酚的定量分析模型,并验证模型的准确度和精密度.结果表明,选择1 mm光程光谱建立的茶多酚定量分析模型最优,模型的校正集相关系数R2和内部交叉验证均方根RMSECV分别为91.08%和0.009 3%;检验集相关系数R2和预测标准差SEP为91.53%和0.008 5%;实际值与预测值配对t检验值为0.224 9,差异不显著.10次重复测量相对标准偏差RSD为0.008 7%,表明方法检测重复性好.     

基于主成分回归的猕猴桃可溶性固形物无损检测

目的为实现猕猴桃可溶性固形物含量的快速无损检测。方法实验采用反射式光谱采集系统获取不同成熟期“贵长”猕猴桃的反射光谱。比较3种光谱预处理方法(标准正态变换、多元散射校正以及二阶导数)对回归预测模型的影响;采用主成分分析对预处理后的光谱数据进行降维,并基于提取的特征变量,建立猕猴桃可溶性固形物含量的回归预测模型。结果采用主成分分析,从1024个全光谱波段中提取了前16个主成分作为特征变量;基于特征变量建立的回归预测模型具有较好的预测性能,其预测集决定系数R2 P=0.88,剩余预测偏差为2.94。结论基于紫外/可见光谱结合主成分回归可以很好地预测猕猴桃可溶性固形物含量。     

含退役双基发射药的低爆速炸药的研究?

研究了一种含双基发射药的低爆速炸药。这种炸药以双基发射药作为敏化剂,以硝酸铵作为氧化剂,二者混合后形成低爆速炸药。炸药由质量分数为75%~80%的硝酸铵、15%~22%的双基发射药、1%~5%的密度调节剂和1%~3%的工艺添加剂组成。试验表明,在低爆速炸药中,随双基发射药质量分数的不同,可制备出满足不同需求的低爆速炸药产品。产品密度控制在0.76~1.02 g/cm3之间,爆速在1 500~2 200 m/s之间,猛度在8.8~9.7 mm之间,殉爆距离达到4 cm。分析探讨了双基发射药的含量、粒度、密度、直径等对爆速的影响。     

Molecular dynamics study of the structure and performance of simple and double bases propellants

To investigate the structure and performance of simple and double bases propellants, the nitrocellulose (NC), nitroglycerin (NG), and double mixed system (NC+NG) have been simulated by using the molecular dynamics (MD) method with the COMPASS force field. The interactions between NC and NG have been analyzed by means of pair correlation functions. The mechanical properties of the three model systems, i.e. elastic coefficients, modulus, Cauchy pressure, and Poisson's ratio, etc., have been obtained. It is found that the rigidity, ductibility, and tenacity of the double bases propellants (NC+NG) are stronger than those of simple base propellants (NC), which attributes to the effect of NG and the strong interactions between NC and NG. The detonation properties of the three systems have also been calculated and the results show that compared with the simple base propellant (NC), the detonation heat and detonation velocity of the double base propellants (NC+NG) are increased.     

低分子量聚丙烯酸钾的合成及其应用

采用水溶液聚合法制备了低分子量聚丙烯酸钾（PAAK），并作为新型消焰剂加入单基发射药中。通过火焰原子吸收光谱法测试了PAAK中钾的含量；用乌氏黏度计测定了特性黏度；采用DSC法研究不同pH值的PAAK与硝化棉（NC）的相容性；利用充氮氧弹法对添加PAAK、硝酸钾KNO₃、硫酸钾K₂SO₄的单基发射药的燃烧残渣进行了对比研究。结果表明，合成的PAAK中，钾的质量分数为15.21%，相对分子量在3 000左右，有利于和NC均匀混合，且在中性或微碱性（pH＝7.0~7.5）的情况与NC相容性良好。与传统的KNO₃、K₂SO₄消焰剂相比，PAAK能够和NC均匀混合，制备均质透明的单基发射药；PAAK发射药的燃烧残渣最少，占发射药质量的0.18%。     

RDX和NGU对叠氮硝胺发射药动态燃烧稳定性的影响

以30 mm高压模拟炮为试验平台,以单基发射药为参照,研究了3种典型叠氮硝胺(DIANP)发射药的动态燃烧稳定性,分析了配方组成对DIANP发射药起始燃烧特征、膛内压力上升过程及膛内压力波动的影响,探讨了DIANP发射药配方组成与其起始燃烧特征、膛内压力上升特点和压力波强度的相互关系。结果表明,在DIANP发射药配方中添加质量分数30%的固体组分黑索今(RDX)或硝基胍(NGU),发射药膛内动态燃烧稳定性增加,膛压-时间曲线波动减小,膛压从30 MPa增至50 MPa所需的时间分别增加了92%和78%,起始负压差从－40.7 MPa降低至－4.44 MPa和－10.66 MPa。在DIANP发射药体系引入高含量的固体组分RDX或NGU,由于低压下RDX分解前熔融吸热,而NGU火药燃烧表面存在坚实熔融层,均可有效减小DIANP发射药起始燃气的生成速率,降低发射装药起始燃气生成猛度,缓减起始阶段膛内压力的上升,提高药床起始燃烧一致性,减小膛内压力波强度。     

LC-MS analysis of carbonyl compounds and their occurrence in diesel emissions

Liquid chromatography coupled with atmospheric pressure chemical ionization (APCI) ion trap mass spectrometry (ITMS) is applied to atmospheric aerosol relevant carbonyls. Characterization of positive and negative ion detection mass spectra are presented for 24 model compounds analyzed in their underivatized and O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine (PFBHA) oxime forms. The addition of PFBHA derivatization enhanced the detection and sensitivity for many of the carbonyls investigated. For all but five of the carbonyls examined, a pseudomolecular (M + H)+ ion is the base peak in the APCI positive ion mass spectra of PFBHA oxime derivatives and is observed in four of the five exceptions. Application of the evaluated analysis methodology to heavy-duty diesel source emissions facilitated the quantification of 10 aliphatic carbonyls (5 C5-C9 ketones, 4 C6 unsaturated ketones, 1 C6 dicarbonyl) and 14 aromatic carbonyls (1 C9 aldehyde, 5 C8-C13 ketones, 8 C6-C14 quinones). Diesel truck engine emission factors spanning 0.55-540 microg km(-1) were measured for gas- and particle-phase carbonyls. Good agreement was observed for gas-phase emission factors with results obtained by gas chromatography with ITMS.     

La掺杂纳米晶Ni-Zn铁氧体的制备及电磁性能

采用高分子凝胶法制备了Ni0.5Zn0.5LaxFe2-xO4（x=0,0.02,0.05和0.08）纳米晶铁氧体.采用X射线衍射仪（XRD）、透射电镜（TEM）和HP8510网络分析仪分别对其结构、形貌和电磁性能进行了研究.结果表明,当x=0,0.02和0.05时,所得粉体为纯立方晶系尖晶石结构.Ni0.5Zn0.5Fe2O4粉体平均粒径为70nm.随着La离子掺杂量的增加,红外光谱中550cm-1处吸收峰向高波数移动,420cm-1处吸收峰向低波数移动.La离子的掺杂对Ni-Zn铁氧体的电磁性能有一定的影响.在X波段,与Ni0.5Zn0.5Fe2O4铁氧体相比,掺杂La的Ni-Zn铁氧体的tanδm值降低,tanδε值升高.Ni0.5Zn0.5La0.02Fe1.98O4铁氧体的tanδε平均值为0.616.     

Bounding the Trellis State Complexity of Algebraic Geometric Codes

Let be an algebraic geometric code of dimension k and length n constructed on a curve over F_q. Let be the state complexity of and the Wolf upper bound on . We introduce a numerical function R that depends on the gonality sequence of and show that where g is the genus of . As a matter of fact, R(2g–2)g–(₂–2) with ₂ being the gonality of over F_q, and thus in particular we have that The authors were partially supported respectively by the Grants VA02002 (Junta de Castilla y León), Proc. 300681/97-6 (CNPq-Brazil) and SB2000-0225 (Secretaria de Estado de Educación y Universidades del Ministerio de Educación, Cultura y Deportes de España)     

A new model and gas sensitivity of non-equilibrium xSnO2-(1–x)α-Fe2O3 nanopowders prepared by mechanical alloying

Nano-sized xSnO2-(1–x-Fe2O3 materials have been prepared using the high energy ball milling technique and their structural and gas sensing properties have been characterized. Based on experimental results, we propose a new structure model, 1/3Sn4+1/3+2(1–y) O2-s+4yO-s, for these non-equilibrium, nano-sized xSnO2-(1–x)-Fe2O3 materials. This model can explain not only the lattice expansion of the milled samples, but also takes into account the charge balance by adding oxygen dangling bonds at the particle surfaces, which can be visualized in the nano-sized powders. The thick film gas sensors made by such mechanically alloyed materials have high ethanol gas sensitivity values of 289 in air and 1016 in nitrogen at 1000 p.p.m. and very good gas selectivity to ethanol over CO and H2 gases. It is believed that the high ethanol gas sensitivity of these materials is related to the enormous defects such as O- and O2- dangling bonds at the particle surfaces of these nano-sized materials. © 1998 Kluwer Academic Publishers     

Effect of solidification cooling rate and phosphorus inoculation on number per unit volume of primary silicon particles in hypereutectic aluminium—silicon alloys

Collected data on derived number per unit volume of primary silicon particles in hypereutectic Al-Si alloys show a power relationship with solidification cooling rate of the form where typically and mm^-3 (K/s)^-1 in the absence of phosphorus and mm^-3 (K/s)^-1 in its prescence. Significantly lower apparent values of from one set of results appear to stem from measurement of a mean long dimension rather than diameter of particle sections as well as lower measured undercoolings than in Bridgman experiments at similar .     

Study on the influence of moisture content on thermal stability of propellant

This paper studies the influence of moisture content on the thermal stabilities of double-base propellant and multi-nitro ester propellant. The thermal behaviors and chemical kinetic parameters of the above two propellants and their mixtures with water were analyzed by using a CALVET heat flux calorimeter, C80. The thermal decomposition mechanisms of these two propellants with water were conjectured based on the tests. And then, the self-accelerating decomposition temperatures (SADT) of these two propellants and their mixtures with water were calculated and compared according to the kinetic parameters and Semenov model. The results show that the thermal decomposition mechanism of double-base propellant with water may be changing with the varying moisture content by transferring hydrogen proton (H⁺). However, the thermal decomposition mechanism of multi-nitro ester propellant with water may be unchanging due to the excess of formaldehyde (HCHO). Water plays the external physical factor on the thermal decomposition of multi-nitro ester propellant, and it plays both the physical and the chemical factors on the thermal decomposition of double-base propellant. The SADTs of their mixtures with water are much lower than that of pure propellants, and keep decreasing with the increasing of moisture content.