Comparison of the accuracy of curve-fitting methods for the determination of gas permeability parameters of sheet polymer samples

Accuracy of the gas permeability parameters (GPPs), i.e. solubility, diffusivity and permeability deduced from permeation measurements, is investigated for the case of homogeneous polymer sheet samples. The widely used time-lag method (TLM) and the recently introduced full curve-fitting method (FCFM) are compared on simulated and on measured permeation curves artificially distorted in various ways in order to mimic potential deficiencies of permeation measurements. Accuracy of the methods is defined as the relative deviation of the calculated from the real GPPs, i.e. those which are deduced from the distorted and the original, non-distorted curves, respectively. The following distortions have been applied: temporal truncation of the permeation curves, increasing the noise level of the measurement and shifting the permeation curve either along the concentration or the time axis. (The latter two transformations correspond to an unnoticed background shift in the readings of the concentration detection unit and an uncertainty in the actual inception of the permeation process, respectively). While all these distortions mimic realistic deficiencies of permeation measurements, the last one is relevant only in case of fast permeation processes through highly permeable membranes. For all but the last transformation, FCFM has been found to yield more accurate GPPs than TLM.     

一种不受相位噪声影响的模态参数识别法

本文提出了一种根据幅值频响数据来识别模态参数的频域识别法.该方法首先通过识别幅值频响函数模型来得到传递函数的零点和极点.鉴于不同结构系统可以有完全相同的幅值频响函数,文中提出了由相位频响数据来判定传递函数零点的号性,以唯一确定传递函数,从而消除了相位噪声对模态参数识别结果的影响.作为例子,文中给出了计算机模拟实验例子和滚动轴承支承动态参数识别的应用实例.     

Bias in modal parameters using the direct and iterative RFP identification procedures

In the rational fraction polynomial method [1] the identification of modal parameters is obtained through a direct linear least-square optimization technique but a particular form of fitting error is minimized. An iterative algorithm has been recently developed which uses the true fitting error [2]. In this paper a statistical analysis is developed to estimate the bias effects on the identified parameters when the data are polluted with noise. Both the direct and iterative procedures are considered. Numerical simulations are used to validate the results predicted by the theoretical analysis, which shows that the iterative approach is by far more efficient than the direct method.A first version of this paper was presented at 17th Int. Seminar on Modal Analysis, Leuven (Belgium), 23–25 September 1992, and preprinted in the Proceedings.     

Investigation of the manganese stress on wheat plant by attenuated total reflectance Fourier transform infrared spectroscopy

ABSTRACT

The present paper deals with the investigation of the changes in chemical contents of the leaf of wheat seedling stressed by excess manganese using attenuated total reflectance Fourier transform infrared spectroscopy (FTIR) technique. The infrared spectra of the leaves of control and manganese-treated wheat plants have been recorded in the spectral region 485–4000?cm^?1 at a resolution of 4?cm^?1. The recorded spectrum has been analyzed with the help of curve-fitting method for the quantitative estimation of chemical contents and conformational changes. The study indicated changes arising in the polysaccharide, lignin, amino acid, secondary structure of protein, and lipid in the leaves of control and manganese-treated wheat plants. Manganese treatment increased the amount of cellulose, lignin, and amide II till 200?μM concentration, while a decrease was observed at 1000?µM concentration. Manganese induced conformational changes in the secondary structure of protein which was indicated by shifting of the bands to the higher wavenumber and change in the β sheet/α helix ratio. In addition, manganese stress decreased lipid content in the leaves of the wheat seedlings. The study demonstrates the potential of attenuated total reflectance FTIR for the non-invasive and rapid monitoring of the plants stressed with heavy metals.     

Determination of water states and the structural parameters of W/O microemulsions

The states of water in sodium bis(2-ethylhexyl) sulfosuccinate (AOT)/isooctane/water reverse(W/O) microemulsions system have been investigated by using Fourier transform infrared spectroscopy(FT-IR) technique. The broad peak obtained for hydroxy(O-H) of water has been resolved by least square curve-fitting. It has been observed that the water solubilized in microemul-sion droplets has four states, i.e. bound water with sulfo-group, free water, bound water with sodium counterion in the water pool of microemulsion droplets and a small amount of trapped water in the palisade layer of microemulsion droplets. The following have also been determined: the aggregation number (n), the radius of the water pool in the microemulsions(rw), the thickness of the bound water with sulfo-group(d1), the thickness of the bound water with sodium counterion(d2), the total thickness of the bound water (d) and the effective area of head groups of AOT(AAOT).     

基于曲线拟合的形态相似鹅膏菌的傅里叶变换红外光谱研究

利用傅里叶变换红外光谱仪测试了形态相似的灰疣鹅膏菌、灰绒鹅膏菌和灰褶鹅膏菌的光谱,结果显示,它们的傅里叶变换红外光谱主要由蛋白质和多糖的振动吸收带组成,其蛋白质的吸收频率略有差。选择酰胺I带(中心频率1647cm-1)进行傅里叶自去卷积和曲线拟合处理后3种鹅膏菌中蛋白质在酰胺I带的吸收峰都由12个子峰叠加而成,其中在无序(1650cm-1)、α螺旋(1658cm-1)和β转角结构(1666cm-1)的振动吸收峰上,灰褶鹅膏菌吸收峰的面积百分比分别是20.98%、4.47%和17.14%,明显地区别于其它两种鹅膏菌(灰疣鹅膏菌:10.26%、12.58%和7.71%;灰绒鹅膏菌:14.33%、9.76%和8.83%)。在1683cm-1处的β转角吸收峰上,灰绒鹅膏菌吸收峰的面积百分比是1.92%,明显小于其它两种鹅膏菌(灰疣鹅膏菌:8.03%;灰褶鹅膏菌:6.65%)。研究表明:傅里叶变换红外光谱技术能提供大型真菌所含蛋白质二级结构信息。     

An Improved Plotting Package Applied to Chemical Graphing Problems

Abstract

A plotting package, written in LINC assembly language, is described. It produces high quality graphs and labels the graphs for direct submission to professional journals. A μ-LINC (Laboratory INstrument (Computer) is used to compute least-squares fitted curves and lines from data entered either on-or off-line and to draw the graphs directly on an incremental plotter. Bar graphs, line graphs, and fitted data can be plotted with options to suppress the lines and/or the points.     

基于Spearman的rho的Copula参数模型的选择

从Spearman的rho与Kendall的tau的关系入手,讨论了一类二元Copula参数模型的选择问题.由于这类二元Copula参数模型的Spearman的rho与Kendall的tau存在某种函数关系,模型选择问题转化为了曲线拟合检验问题.对于正态Copula、Frank-Copula,FGM-Copula、B11-Copula等这类Copula参数模型,说明了两种情况下进行模型选择的方法,并对中国股市的上证指数与深证综指作了实证分析,结果表明两者存在着较强的正相关性,相关性模型选取B11-Copula参数模型最合适.     

基于LambertW函数的太阳能电池组件参数确定法

为了改进工程用电池建模精度低（5％以内）,五参量模型参数多且难获取的缺点,提出一种新的太阳能电池组件参数确定方法．首先通过LambertW函数求解出太阳能电池组件参数解析式,其次采用多项式拟合法,获取太阳能电池组件电压电流关系式,最后结合分段积分法求得了太阳能电池组件的参数值．实验表明,该方法的精度在0．5％以内：与主流电导简化法和模式优化算法相比,该方法不仅具有直观性,利于掌握和计算,同时求出的电池组件参数具有更小的误差值（0．1％以内）．     

Analysis of the probability distribution method for spectrum decomposition

The probability distribution method provides a new way for spectrum deconvolution, that is especially applicable in the case of poor counting statistics. Here it has been compared with the conventional least-squares curve-fitting method. A large number of spectrum regions of a few channels were generated to simulate a spectrum containing a low intensity peak on low background, and were evaluated by both methods, to establish which method provides an unbiased estimate of the peak area in the cases examined, and on what conditions.