用Procrustes旋转-相关光谱数据分解同时光度测定硝酸根和亚硝酸根的探讨

输入具有相同光谱轮廓但不同浓度试样的吸光度数据，通过对相关光谱的分解及Procrustes旋转，可在无需校正试样的情况下获得试样中的组分数、纯组分光谱轮廓和各组分的相对浓度等信息，本文探索将此方法应用于NO-2及NO-3的同时光度测定，获得较好的结果。     

电感耦合等离子体发射光谱法测定镁合金中铝锌锰硅铁铜镍铍锆

考察了镁合金光谱标准样品中多元素连续测定的电感耦合等离子体发射光谱方法，通过分析的优化遴选，建立了精确度良好的高至常量组分、低至痕量组分的检测步骤和仪器的不同工作模式，可满足镁和镁合金系列光谱标准样品的分析需要。     

比导数荧光光谱法测定混合芳烃

比值导数荧光光谱法是将混合物的光谱除以其中一组分的光谱得到比值光谱，利用比值光谱对波长求导所得到的比值导数光谱来达到消除干扰组分影响、分辨重叠光谱的目的。作者研究用比值导数荧光光谱法对２组分和３组分荧光光谱严重重叠的菲、、蒽混合芳烃溶液进行分析，测试效果良好，回收率为９４％～１０５％。     

利用目标试验因子分析法确定化学反应的级及速率常数

利用目标试验因子分析（TTFA）结合数值遗传算法（NGA），解析反应过程中在线测得的动力学谱－光谱数据矩阵，可在未知各组分纯光谱及动力学模型情况下同时求解出各组分的纯光谱，反应级数及速率常数，提出用近似计算法计算各组分的动力学谱，使该方法能适用于在任意反应级数的体系。针对两步连续反应模型，对反应物，中间体和最终产物均有吸收及某一种组分没有吸收的体系的矩阵进行了处理，表明该方法均能适用。利用该方法对邻苯二甲酸二甲酯在碱性介质中的水解反应及日落黄水溶液的电解降解反应过程中测得的数据矩阵进行解析，均获得了可靠结果。     

比光谱—导数—紫外分光光度法同时测定水中硝酸根和亚硝酸根

利用二元混合物的混合光谱与其中某一组分光谱的比值对波长求导，可达到分辨重叠光谱的目的。本文研究了用比光谱－导数－紫外分光光度法同时测定水样中ＮＯ３＾－和ＮＯ２＾－，以“减法技术”求导，兼具导数光度法能消除低频背景和高频噪声干扰及线性回归法分辨能力强的优点。方法避免了一般光度法需加入试剂而可能引起的误差。在ＰＨ７－９条件下测量２０３ｎｍ－２１９ｎｍ的光吸收值，用比光谱－导数技术处理，同时测定合成度样     

用Procrustes旋转—相关光谱数据分解同时光度测定硝酸根和亚硝酸…

输入具有相同光谱轮廓但不同浓度试样的吸光度数据，通过对相关谱的分解及Ｐｒｏｃｒｕｓｔｅｓ旋转，可在无需校正试样的情况下获得工样中的组分数、纯组分光谱轮廓和各组分的相对浓度等信息。本文探索将此 方法应用于ＮＯ＾－２及ＮＯ＾－３的同时光度测定，获得较好的结果。     

根据动力学-光谱数据解析高锰酸钾氧化草酸钠的反应过程

通过在线测量硫酸介质中高锰酸钾氧化草酸钠反应过程的光谱变化，获得了动力学—光谱二维数据。借助主成分分析法，确定了高锰酸钾的单信息区，并确认反应过程中产生了一种有吸收的中间体。根据最小二乘回归等化学计量学方法，结合相关组分间存在等吸收点这一光谱特征及质量平衡原理，成功地解折出反应体系中相关组分的实际动力学谱及纯光谱。根据Savitsky-Golay求导法，获得了各组分的速率曲线。对解析结果的进一步研究表明，该反应符合自催化模式。     

独立组分分析在红外光谱分析中的应用

针对红外光谱的黑色体系分析,提出了一种基于独立组分分析(ICA)的红外光谱定性分析方法.其主要优点在于可从混合光谱中分离出独立组分的光谱,且这种分离是盲源分离,混合物的组分预先是未知的.对ICA在正己醇、丙酮和正丁醇的混合中红外光谱分离中的应用进行了研究,验证了体系的独立性,并对ICA算法做了一定的改进,讨论了各种预处理方法对其分离结果的误差.     

飞秒光学外差光学克尔效应和低频拉曼光谱技术研究离子液体[bmim][PF6]的低频光谱

利用飞秒光学外差光学克尔效应技术获得了咪唑类离子液体1-丁基-3-甲基咪唑六氟磷酸盐([bmim][PF6])体系中反映分子间相互作用的低频光谱. 结果分析中, 利用Brownian振子时间相关函数的精确表达式对光学克尔效应动力学数据中的核振动部分进行模拟, 在时域上获得各个振动组分的时间演化行为, 并进而通过快速Fourier变换获得各个振动组分的频域光谱和总加和光谱. 此外还利用低频拉曼光谱技术测量了离子液体[bmim][PF6]的低频光谱, 并和飞秒光学外差光学克尔效应实验的结果进行对比, 发现两种方法获得的低频光谱相近. 实验结果表明Brownian振子时间相关函数的精确表达式可用来解析离子液体体系中低频振动的时间演化行为.     

聚乙烯/聚乙二醇共混物中极性组分的表面富集

采用衰减全反射傅立叶变换红外光谱(FTIR-ATR)和扫描电子显微镜研究了极性组分聚乙二醇在聚乙烯／聚乙二醇共混物中的表面富集特性。研究结果认为不同组分表面自由能的差异以及聚乙烯基体的结晶异相排斥作用是导致聚乙二醇组分向共混物表面富集的主要驱动力，而极性组分相区的大小和分布则是影响其选择性迁移过程的重要因素。因此，可以通过添加合适相容剂的办法对聚乙二醇组分的表面富集程度进行有效的调控。     

Microdetermination of resorcinol in presence of phenol

Summary A new, rapid, convenient and accurate method for the determination of resorcinol in presence of phenol has been developed. N-bromosuccinimide has been used for the displacement of iodine from potassium iodide which in turn is substituted preferentially into resorcinol. N-bromosuccinimide can be used as the primary standard and kept for several days if refrigerated and protected from light. Resorcinol can be determined in presence of phenol which can be tolerated up to 6 times the amount of resorcinol with an average relative standard deviation of 0.31%.

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Zusammenfassung Eine rasche und genaue Methode zur Bestimmung von Resorcin in Gegenwart von Phenol wurde ausgearbeitet. Dabei wird mitN-Bromsuccinimid (I) aus Jodid Jod freigesetzt, das seinerseits als Substituent in Resorcin eintritt. I kann als Urtiterlösung dienen, die sich vor Licht geschützt in der Kälte einige Tage hält. Phenol stört die Resorcinbestimmung in bis zu sechsfachem Überschuß nicht. Die relative Standardabweichung beträgt 0,31%.

     

比值导数波谱法用于极谱及伏安法多组分分析

叙述了比值导数波谱法在电化学波谱解析中应用的原理。首先以混合物的极谱波（或伏安波）除以干扰组分的标准波谱得到比值波谱，再以比值波谱对电位求导得到比值导数波谱，藉此可消除干扰组分的影响。采用该法可对二组分体系进行分析，如选择合适的零交点便可对三组分体系进行分析。利用本法对苋菜红－日落黄的伏安波及铜－镉－镍的极谱波进行了解析及定量分析，获较好的结果。     

A new spectrophotometric method for quantitative multicomponent analysis resolution of mixtures of salicylic and salicyluric acids

A new spectrophotometric method for resolving binary mixtures is proposed. The method is based on use of the first derivative of the ratios of spectra. The absorption spectrum of the mixture is obtained and the amplitudes at appropriate wavelengths are divided by the corresponding amplitudes in the absorption spectrum of a standard solution of one of the components, and the first derivative of the ratio spectrum is obtained. The concentration of the other component is then determined from a calibration graph. The method has been applied for resolving binary mixtures of salicylic and salicyluric acids. Calibration graphs for 2.6-52 ppm salicylic acid and for 2.1-42 ppm salicyluric acid were established by measuring the analytical signals at the maximum at 241.5 nm (for salicylic acid) and from the peak at 258 nm to the trough at 247 nm (for salicyluric acid) in the first derivative ratio spectra.     

癸二醇和十二烷二醇及其混合物的液固相变研究

使用差示扫描量热法（DSC）和红外光谱法（IR）对1,10-癸二醇（1,10-C10H22O2,A）与1,12-十二烷二醇（1,12-C12H26O2,B）及其二元混合物系统液固相变进行研究。测定了该二元混合系统的相变温度、相变焓和液固平衡相图。该二元系统存在低共熔混合物,其组成为xB=0．333,低共熔温度为328K。该二元混合系统的IR图谱显示存在氢键缔合现象,长链烷烃中的亚甲基在晶格中是有序规则排列的。该系统具有较低的相变温度和较高的相变焓,是一种潜在的低温储能材料。     

Spectrophotometric resolution of ternary mixtures of salicylaldehyde, 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde by the derivative ratio spectrum-zero crossing method

A new spectrophotometric method for resolving ternary mixtures is proposed. The method is based on the simultaneous use of the first derivative of ratio spectra and measurements of zero-crossing wavelengths. The ratio spectrum is obtained by dividing the amplitudes of the absorption spectrum of the mixture by a standard spectrum of one of the components giving the first derivative of the ratio spectrum. The concentrations of the other components is then determined from their respective calibration graphs established by measuring the ratio derivative analytical signal at the selected zero-crossing points. The method has been applied to resolving ternary mixtures of the isomers salicylaldehyde, 3-hydroxybenzaldehyde and 4-hydroxybenzaldehyde. Previously, we also resolved the binary mixture of salicylaldehyde and 3-hydroxybenzaldehyde. The method compares favourably with other spectrophotometric methods.     

Determination of phenols with ICN and BrCN in nonaqueous media

Phenol, cresols, ethylphenols, thymol, catechol, resorcinol, hydroquinone, phloroglucinol and β-naphthol have been titrimetrically determined with ICN and BrCN in 10–100% acetic acid and 1:1 glacial acetic acid-acetic anhydride mixture. The phenols undergo substitution; the extent of which depends upon the entire system involved. As little as 0.5 mg of the phenol can be determined with ±0.25% error in these nonaqueous media.     

Spectrophotometric determination of aromatic and heterocyclic amino acids in mixtures

A procedure for the determination of individual aromatic and heterocyclic amino acids in mixtures was developed with the use of the Vierordt method. Amino acids can be simultaneously determined by this procedure in the concentration range (0.4-3.0) x 10^-3 M. The determination errors for binary and ternary mixtures were no greater than 5 and 10%, respectively. The determination error increases with a decrease in the concentration of a particular component and with an increase in the number of components in the test mixture.     

A new method of Fourier-transform smoothing with ratio spectra derivative spectrophotometry

A new method which combines Fourier-transform smoothing with ratio spectra derivative spectrophotometry has been developed for analysis of binary and ternary mixtures. The method proposed has been applied to the simultaneous determination of a binary mixture of 0.974-2.026 x 10(-2) g L(-1) nitrate and nitrite and to a ternary mixture of 1.840-3.888 x 10(-3) g L(-1) histidine, phenylalanine, and tryptophan. The relative standard derivations are between 0.07 and 5.3% for the former system, and between 0.5 and 7.3% for the latter. The results show that the method proposed is more accurate than multiple linear regression.