近红外光谱和电子鼻技术用于葡萄酒发酵过程中酒精度的定量分析

采用近红外光谱和电子鼻对葡萄酒的酒精发酵过程进行了动态采样检测,通过主成分回归和偏最小二乘回归对酒精度变化进行了监控和预测研究。分别建立了近红外光谱、电子鼻以及二者融合数据对酒精度定量分析的主成分回归和偏最小二乘回归模型。结果表明,近红外光谱数据和电子鼻数据的主成分回归和偏最小二乘回归模型的相关系数(r)均大于0.99,但校正均方根误差(RMSEC)和预测均方根误差(RMSEP)较大。近红外光谱和电子鼻数据融合后,模型质量得到提高,建立的偏最小二乘模型r为0.999 2,RMSEC和RMSEP分别降低为0.206%和0.205%(v/v),定量精度较高。近红外光谱和电子鼻均适用于红酒发酵过程中对酒精度的定量分析,且二者结合应用能提高定量精度。     

黄酒糖度预测的可见-近红外光谱方法研究

提出了用可见近红外光谱结合不同化学计量学方法预测黄酒糖度的新方法。用240个黄酒样本建模,60个样本进行预测。通过对光谱数据进行平滑、变量标准化及一阶导数等预处理,建立并比较了偏最小二乘法,小波变换与偏最小二乘法相结合,主成分分析与人工神经网络相结合以及主成分分析与最小二乘支持向量机相结合四种不同建模方法的预测精度,以相关系数r、预测标准差、偏差等为评判标准,得到黄酒糖度预测的最优模型为最小二乘支持向量机模型。该模型对黄酒糖度预测的相关系数为0.962、预测标准差为0.021、偏差为-0.001,获得了理想的预测精度。结果表明应用可见近红外光谱对黄酒糖度进行预测是可行的,且最小二乘支持向量机模型能得到最优的预测结果。     

葡萄浆果糖度可见/近红外光谱检测的研究

针对可见/近红外光谱与水果糖度存在非线性相关的特点,利用漫反射光谱测定方法获取了葡萄浆果的可见/近红外光谱,提出了应用偏最小二乘（PLS）结合人工神经网络（ANN）建立葡萄浆果糖度的预测模型,利用偏最小二乘法（PLS）对原始光谱数据进行处理,得出交叉检验的最佳主因子数为3,并将3个主因子的得分作为三层BP神经网络的输入。通过定标集样本对BP神经网络进行训练,用优化的BP神经网络模型对预测集样本进行预测。PLS-ANN模型对样本的预测模型检验参数r2为0.908,RMSEP为0.112,Bias为0.013,好于只使用PLS模型的预测模型检验参数r2为0.863,RMSEP为0.171, Bias为0.024。结果表明,利用近红外光谱技术无损检测葡萄浆果糖度等内部品质是可行的,为今后进一步分析建立浆果内部品质预测模型奠定了基础。     

近红外光谱快速检测丙氨酸氨基转移酶

在探讨近红外光谱快速检测丙氨酸氨基转移酶的可行性过程中,首先对不同厚度(0.5,1,2和4mm)血液样品的近红外透射光谱进行了分析。发现全血样品0.5 mm厚时的近红外透射光谱更适合于进行光谱分析。进而采集了176个全血样品0.5 mm厚时的近红外光谱。对采集的光谱进行多元散射校正、二阶微分法光谱预处理后,采用逐步多元线性回归和偏最小二乘回归方法建立定量分析模型,预测了全血丙氨酸氨基转移酶的含量。结果表明:利用近红外光谱法测定丙氨酸氨基转移酶时,采用偏最小二乘回归方法建立的定标模型预测效果最好,定标相关系数、定标标准差和预测标准差的值分别为:0.98,2.42和7.22。     

大白桃糖度的近红外漫反射光谱无损检测试验研究

该研究应用近红外(near infrared, NIR)漫反射光谱定量分析技术开展了金华大白桃的糖度检测试验研究。用偏最小二乘回归(partial least square regression, PLSR)方法在800～2 500 nm光谱范围建模,通过比较果汁和不同部位果肉所对应的相关模型的预测结果发现：用水果3个部位(顶部、中部、底部)共9个检测点的果肉平均光谱和糖度平均值建立的模型的结果比果汁或单独某个部位果肉(3个检测点)所建立的模型的结果要好。在此基础上,分析了光谱微分和散射校正预处理对建模结果的影响,结果显示微分光谱建立的模型不如原始光谱建立的模型的结果好,光谱的散射校正处理(用多元散射校正MSC和标准正态变量变换SNV两种方法)有助于提高模型的预测性能。最终建立桃子果肉平均光谱经MSC和SNV散射校正后与糖度的相关模型,MSC和SNV对建模结果的影响基本一致,MSC-PLSR和SNV-PLSR模型的相关系数Rcal和交互验证相关系数Rcross-v分别为0.997和0.939。该研究表明近红外光谱检测技术可用于金华大白桃糖度的定量分析。     

脐橙糖度近红外光谱在线检测数学模型优化研究

目的是优化脐橙糖度近红外光谱在线检测数学模型,提高检测精度.在700.28～933.79 nm光谱范围内,根据建模集样品在不同波长处的变异系数,选择基准波长点,计算样品的反射比光谱.吸光度和反射比光谱,经不同光谱预处理后,分别采用偏最小二乘法(PLS)和最小二乘支持向量回归法(LSSVR),建立脐橙糖度近红外光谱在线检...     

基于漫反射高光谱成像技术的哈密瓜糖度无损检测研究

利用高光谱成像系统获得网纹类哈密瓜糖度漫反射光谱信息,选择有效波段500～820 nm进行哈密瓜糖度检测建模回归分析。对比了多元散射信号修正和标准正则变换校正方法,原始光谱、一阶微分、二阶微分光谱预处理方法对建模精度的影响;采用偏最小二乘法、逐步多元线性回归和主成分回归方法对比分析了带皮哈密瓜和去皮哈密瓜糖度检测模型效果。结果表明,对原始光谱经过MSC和一阶微分光谱处理后,采用PLS和SMLR方法均可取得很好的建模效果,应用PLS法检测带皮哈密瓜糖度是可行的,其校正集相关系数(R_c)为0.861,RMSEC为0.627,预测集相关系数(R_p)为0.706,RMSEP为0.873;应用SMLR法检测去皮哈密瓜糖度效果最佳,校正集相关系数(R_c)为0.928,RMSEC为0.458,预测集相关系数(R_p)为0.818,RMSEP为0.727。研究表明,应用高光谱成像技术检测哈密瓜糖度具有可行性。     

近红外光谱法检测乙醇柴油主要性能指标

乙醇柴油是柴油替代品的一种,它的使用越来越广泛,乙醇柴油品质由许多指标决定,采用传统方法检测这些指标不仅价格昂贵而且耗时长。近红外光谱技术是一种廉价、快速实时在线检测乙醇柴油品质的有效方法。本文采用近红外光谱技术结合最小二乘支持向量机检测了乙醇柴油的密度、粘度和乙醇含量,比较了线性和非线性校正技术(主成分回归、偏最小二乘回归和最小二乘支持向量机)对乙醇柴油品质的分析效果,同时也比较了不同预处理方法对预测模型能力的影响。实验结果表明,最小二乘支持向量机优于主成分回归和偏最小二乘回归模型,其对乙醇柴油密度、粘度、乙醇含量建模效果最优,相关系数分别是0.995 8、0.995 7和0.995 3;预测均方根误差分别为0.000 68、0.011 3和0.5714。     

简化苹果糖度预测模型的近红外光谱预处理方法

采用正交信号校正法(OSC)和净分析物预处理法(NAP)分别对苹果的近红外光谱(1300~2100 nm)进行预处理,并结合偏最小二乘法(PLS)建立了糖度预测模型。应用结果显示,随着预处理过程中所用的正交信号校正因子或净分析物预处理因子的逐渐增加,偏最小二乘糖度模型(OSC/PLS模型和NAP/PLS模型)所采纳的最佳因子数也会随之减少,甚至可减至1。当采用10个正交信号校正因子预处理苹果光谱时,OSC/PLS糖度模型达到最佳性能,最佳模型采纳的因子数为2;采用11个净分析物预处理因子预处理光谱时,NAP/PLS糖度模型达到最佳性能,最佳模型采纳的因子数为1。从总体上评价,最佳OSC/PLS糖度模型和最佳NAP/PLS糖度模型的性能都明显优于原始光谱的最佳偏最小二乘模型。这些结果表明,正交信号校正法和净分析物预处理法都能在保证精度的同时有效地简化苹果糖度预测模型。     

用遗传算法快速提取近红外光谱特征区域和特征波长

提出了一种遗传区间偏最小二乘法(GA-iPLS),并用该方法快速提取苹果糖度近红外光谱的特征区域,在此基础上采用遗传偏最小二乘法(GA-PLS)提取苹果糖度近红外光谱的特征波长,进行苹果糖度预测。结果表明,整个光谱等分为40个子区间,遗传区间偏最小二乘法能快速寻找出5个特征子区间(第4,6,8,11,18号);在5个特征子区间的基础上用遗传偏最小二乘法继续优化,从中提取44个特征波长。建立在5个特征子区间和44个特征波长上的偏最小二乘法模型精度均优于全光谱偏最小二乘法模型,对预测集的预测相关系数提高了近10%;且模型得到了很大的简化,用于建模的主因子数减少了7个。这些结果表明,用这两种方法不但可以建立简洁、数据运算量少的模型,还可以快速地提取近红外光谱的特征区域和特征波长。     

A new application of X‐ray scattering using principal component analysis – classification and identification of liquid precursor chemicals

X‐ray scattering (XRS) combined with principal component analysis has been utilized for classifying and identifying liquid precursor chemicals for the first time. The XRS spectra of some liquid precursor chemicals and normal materials were obtained by using an XRS system, and the profiles of scattering media distinctly reveal that the XRS spectra are unique corresponding to the specific liquid material. Furthermore, the obtained spectra were processed through principal component analysis by using the selected energy region in the spectra. The score plots of each substance were clustered together and almost coincident for the same liquid, implying good repeatability and reliability. As far as the different liquid materials are concerned, they could be classified into distinct groups according to their positions in the score plot. The score plots showed a clear classification and recognition of liquid precursor chemicals. This study demonstrates a possibility for analyzing different liquid materials, and it presents a new application for X‐ray spectroscopy. Copyright © 2012 John Wiley & Sons, Ltd.     

增压输送过程中卧式贮罐液氢温度分层研究

分析了大型卧式液氢贮罐增压输出过程中低温介质传热数学模型,揭示了贮罐内液氢温度分布规律,说明了液氢温度分层形成的原因及过程,给出了输出液氢品质保障方法。研究表明:大型卧式液氢贮罐输出过程中液氢温度分布可用修正后的半无限大平板非稳态导热方程描述;在增压压力一定情况下,热液层厚度随着输送时间的增加而增大,且热液层厚度及其温度分布受卧式贮罐截面形状影响;液氢贮罐输出品质与贮罐内热液层厚度密切相关,可通过计算热液层厚度从而确定贮罐留底余量的方法,保证贮罐输出品质。     

Theoretical model of ice nucleation induced by acoustic cavitation. Part 1: Pressure and temperature profiles around a single bubble

This paper deals with the inertial cavitation of a single gas bubble in a liquid submitted to an ultrasonic wave. The aim was to calculate accurately the pressure and temperature at the bubble wall and in the liquid adjacent to the wall just before and just after the collapse. Two different approaches were proposed for modeling the heat transfer between the ambient liquid and the gas: the simplified approach (A) with liquid acting as perfect heat sink, the rigorous approach (B) with liquid acting as a normal heat conducting medium. The time profiles of the bubble radius, gas temperature, interface temperature and pressure corresponding to the above models were compared and important differences were observed excepted for the bubble size. The exact pressure and temperature distributions in the liquid corresponding to the second model (B) were also presented. These profiles are necessary for the prediction of any physical phenomena occurring around the cavitation bubble, with possible applications to sono-crystallization.     

扭曲向列相液晶电光效应的微观机理研究

为了探究液晶电光效应的微观机理,以扭曲向列相液晶为研究对象,对液晶分子的变化情况进行了理论分析。运用连续体弹性理论分析了扭曲向列相液晶分子的指向矢取向变化,并对液晶电光效应曲线不同区间范围液晶微观结构的变化进行了系统分析。结果表明:液晶分子在零电场条件下的扭曲是均匀的;当外加电场大于某一值时,液晶分子开始转向,液晶产生电光效应。研究结果对液晶显示器件设计和深入理解液晶电光效应机理具有一定的指导意义。     

Complementary interference method for determining optical parameters of liquid crystals

ABSTRACT

Wedge cells of small apex angle, filled with liquid crystals, were used to determining optical characteristics as functions of temperature for three liquid crystalline mixtures recently produced and a reference nematic. The interference fringes appearing in polarised monochromatic light (of sodium yellow line) normally incident on the cell were exploited to measure the ordinary and extraordinary refractive indices in the reflection mode and birefringence in the transmission mode. The measurements were repeated using Abbe's refractometer for 6CHBT as the reference to verifying the precision. Additionally the order parameter was computed from birefringence as a function of temperature. The results confirm the usefulness of the method and provide the properties of two nematic liquid crystals of small and large birefringence and one smectic liquid crystal of medium birefringence, recently produced. The experimental systems served also to investigating phase transition between the liquid crystals and the isotropic liquid at near-clearing temperature.     

基于傅里叶变换近红外透射光谱的汽车用 无水冷却液和制动液掺水检测

冷却液和制动液是车辆工作过程中非常重要的油品,对车辆的正常运行具有非常重要的作用。在冷却液和制动液中掺水是掺假的主要手段之一,掺水后的冷却液和制动液,其有效成分会减少,从而影响了冷却液和制动液本来的功能,对车辆造成危害,从而影响车辆的正常运行。实现对冷却液和制动液含水率的快速准确检测,是保证冷却液和制动液品质的关键。采用傅里叶变换近红外光谱对不同品牌的掺水的汽车无水冷却液和制动液含水率检测进行了研究。分别采集了3个不同品牌无水冷却液和4个不同品牌制动液在掺入不同含水率(0%,5%,10%,15%,20%,25%,30%,35%)下的近红外透射光谱,并基于10 067～5 442 cm-1范围内的光谱进行了研究。不同含水率的无水冷却液和制动液近红外透射光谱存在差异。单个品牌不同含水率的无水冷却液及制动液的主成分分析(PCA)表明不同含水率样本之间存在差异。采用二阶导数(Second derivative)对单个品牌以及包含有不同品牌的无水冷却液及制动液(不同含水率)的特征波数进行了选择,发现不同品牌之间选择的特征波数相近,且单个品牌与包含不同品牌之间选择的特征波数也相近,而经过特征波数选择后波数减少了至少98.67%。基于单个品牌样本的全谱以及包含有不同品牌样本的全谱和特征波数,分别建立偏最小二乘(PLS)和最小二乘支持向量机(LS-SVM)模型,所有模型的建模集和预测集决定系数均高于0.9,剩余预测偏差(RPD)均高于3,含水率预测模型取得了较好的预测结果。基于全谱的模型预测效果与基于特征波数的模型预测效果相当,表明特征波数选择可用于无水冷却液和制动液中含水率的检测。基于单个品牌样本的模型预测效果与包含不同品牌样本的模型预测效果相近,表明包含品牌差异,建立基于多个品牌的无水冷却液和制动液掺水量的预测模型是可行的。研究结果表明,近红外透射光谱结合化学计量学方法可用于不同品牌汽车无水冷却液和制动液掺水量检测,为研究开发在线检测仪器奠定了基础,也为其他类型的车用液体制品中含水率的检测提供了技术和方法参考。     

Analysis of formation and breakup mechanisms in rotary atomization through spray visualization

Abstract  

The spray characteristics of rotary atomization for small gas turbines were investigated using a high-speed camera and Nd:YAG laser flash visualization. To analyze the breakup process of the liquid column and liquid film, spray visualization tests were performed under varied test conditions. Visualization was conducted at rotational speeds from 5,000 to 40,000 rpm and fuel flow rates from 15 to 90 kg/h. From the test results, we discovered that a varicose wave appeared on the surface of the liquid column at rotational speeds below 10,000 rpm. As the rotational speed increases, the column forms a liquid film via a dilatational wave and breaks up via a sinuous wave. Under a gradual increase in rotational speed, the breakup of the liquid column is observed, and the formation of a liquid film is ultimately observed. We conclude that liquid film formation is essential for high spray quality in rotary atomization systems.     

Cryopreservation of horse semen under laboratory and field conditions using a Stirling Cycle freezer

A Stirling Cycle freezer has been developed as an alternative to conventional liquid nitrogen controlled rate freezers. Horse semen samples were cooled in 0.25 ml straws and 15 ml bags in the Stirling Cycle freezer under laboratory conditions and as a portable device, powered from a car battery. For comparison, straws were frozen in a conventional liquid nitrogen controlled rate freezer. Upon thawing, motility and viability of samples frozen in the Stirling Cycle freezer were not significantly different when compared to samples frozen in the liquid nitrogen freezer. Unlike liquid nitrogen systems, the Stirling Cycle freezer does not pose a contamination risk, can be used in sterile conditions and has no need for a constant supply of cryogen. The freezer has potential for use in veterinary and genetic conservation applications.     

离子液体在甲烷等离子体转化中作用机理的光谱研究

在直流等离子体甲烷转化反应体系中分别引入C₆MIMBF₄,C₆MIMCF₃COO,C₆MIMHSO₄三种离子液体,采用光谱在线技术检测反应中活性物种的种类和光谱谱峰相对强度的变化,研究了离子液体在气液等离子体甲烷转化反应中的作用机理。结果表明：向甲烷等离子体体系中引入离子液体可得到稳定的气液界面,并提高了甲烷转化率和C₂烃产物收率,C₆MIMCF₃COO和C₆MIMBF₄有助于提高C₂烃选择性,而C₆MIMHSO₄则导致C₂烃选择性下降。在气液等离子体甲烷放电体系中检测到了C,C₂,C₃,CH,H等活性物种的发射光谱,与未引入离子液体时相比大多数活性物种的谱线强度均有增加。核磁共振研究表明反应后离子液体C₆MIMBF₄结构稳定,可认为离子液体作为液体导电介质提高了等离子体放电强度,促进等离子体区气相反应过程,同时离子液体在气液表面反应过程起催化作用。     

Comparative visualized investigation of impact-driven high-speed liquid jets injected in submerged water and in ambient air

This paper is a comparative study on the characteristics of high-speed liquid jets injected in surrounding water and air using shadowgraph technique. One of the main objectives is to investigate the effects of liquid’s physical properties, used to generate the high-speed liquid jets, on jet generation’s characteristics. Moreover, comparative investigations on effects of those liquid jets after injected in water and air are reported. The high-speed liquid jets were generated by the impact of a projectile launched by a horizontal single-stage power gun. The impact-driven high-speed liquid jets were visualized by shadowgraph technique and images were recorded by a high-speed digital video camera. The process of impact-driven high-speed liquid jet injection in air and water, oblique shock waves, jet-induced shock waves, shock waves propagation, the bubble behavior, bubble collapse-induced rebound shock waves and bubble cloud regeneration were clearly observed. It was found that different properties of liquid (surface tension and kinematic viscosity) affect the jet maximum velocity and shape of the jet. Bubble behaviors were only found for the jet injected in water. From the shadowgraph images, it is found that the maximum average jet velocity, expansion and contraction velocities of bubble in axial direction increase when the value of the multiplied result of surface tension by kinematic viscosity increases. Therefore, surface tension and kinematic viscosity are the significant physical properties that affect characteristics of high-speed liquid jets.