气体传感器阵列用于混合气体测量的计算机模拟研究

用计算机模拟方法对气体传感器阵列进行模拟，并建立相应软件，用该软件研究由ＣＯ，ＣＨ４，Ｃ２Ｈ５ＯＨ，ｉ－Ｃ４Ｈ１０四种气体组成的混合气体体系，并对气体传感器阵列测得的信号与混合气体浓度之间的关系进行深入的研究．用人工神经网络法和多元线性回归分析法对模拟获得的数据处理，建立传感器阵列数学模型，并对两种模型进行比较，以找出最优的预报数学模型，用于预报实际体系     

有机玻璃敏感膜氯化氢气体传感器的研究

研究了石英压电晶体有机玻璃敏感膜，测定氯化氢气体的化学传感器，可获得良好的线性响应及其气敏特性，传感器测定氯化氢气体在１×１０－６～１８．５×１０－６的范围内呈良好线性，传感器稳定性好，其它气体的干扰少，进一步研究，可用于现场监测．     

基于径向基函数神经网络法识别变压器油中微量特征气体

研究了采用气敏阵列与神经网络技术检测混合气体浓度的一种新方法,并将其应用于探测变压器油中微量特征气体．实验检测了φ（Ｈ２） 为０ ～５ ×１０ － ６ 和φ（Ｃ２ Ｈ２） 为１ ×１０ － ６ ～１３ ×１０ － ６ 的混合气体,结果测得氢气绝对误差最大值为０ ．１７ ×１０ － ６ ,乙炔绝对误差最大值为０ ．５３ ×１０ － ６ ．可见,该方法有效地提高了气敏元件的选择性,使混合气体浓度测量的准确性显著提高     

偏最小二乘（PLS）分光光度法同时测定铁钴铜锌

本文研究了高灵敏度显色剂ｍｅｓｏ－四（４－磺酸苯基）卟啉（ＴＰＰＳ４）与Ｆｅ（Ⅲ）、Ｃｏ（Ⅱ）、Ｃｕ（Ⅱ）、Ｚｎ（Ⅱ）共显色条件以及应用偏最小二乘（ＰＬＳ）法同时测定四组份的方法，获得满意的结果．本文还定义了未知样品与标准样之间的相关系数Ｑｒ，通过Ｑｒ值的大小预报未知样测试结果的准确性．     

以计量化学潜因回归分析对有机合成作响应面优化的新方法(英文)

研究开发了CEDOS（Chemometrics—basedExperimentalDesignandOptimizationSystemforOrganicSynthesis，计量化学试验设计与优化有机合成系统）。它借助潜因回归算法如偏最小二乘（PLS）、主成份回归（PCR）等技术及试验设计与优化方法对有机合成进行响应面优化，获得良好结果。     

二茂铁衍生物电催化氧化NADH及催化速率常数的测定

用微盘电极研究了二茂铁衍生物的电化学行为及电催化氧化二氢烟酰胺腺嘌吟二核苷酸（ＮＡＤＨ）。用微电极测定了二茂铁衍生物（磺酸基二茂铁，乙酰基二茂铁，羧酸基二茂铁，α－羟乙基二茂铁，α，α＇－二经乙基二茂铁）的扩散系数（分别为３．４×１０￣（－６），６．９×１０￣（－６），１．７×１０￣（－６）．６．２×１０￣（－７），１．５×１０￣（－６）ｃｍ￣２／ｓ）及乙酞基二茂铁电催化氧化ＮＡＤＨ的催化速率常数（４．６８×１０￣３（ｍｏｌ／Ｌ）￣（－１））。探讨了温度、ｐＨ及β－环糊精的络合效应对催化反应的影响。     

奶粉和豆粉混合食物中蛋白质计算分离测定──偏最小二乘－高效液相色谱法

应用高效液相色谱与偏最小二乘法相结合研究了奶粉和豆粉混合食物中蛋白质同时分离测定的方法。在酸性介质中蛋白质水解为氨基酸，用衍生试剂衍生水解产物，并且用高效液相色谱分离及定量氨基酸。各种蛋白质水解的１７种主要氨基酸的比例不同，用偏最小二乘法（ＰＬＳ）预测混合食物中奶粉和豆粉蛋白质的含量。另外还讨论了偏最小二乘法中各参数的取值对未知样品预报结果准确度的影响。将该法用于模拟混合食物中奶粉和豆粉的分离预测相对误差为６．６５％和２．５８％，标准偏差为２．４％和４．７％。     

偏最小二乘法与人工神经网络耦合的小流域产沙模型

针对小流域侵蚀产沙的复杂性,将偏最小二乘回归与人工神经网络耦合,建立了小流域降雨侵蚀产沙检验模型,并应用于小流域降雨侵蚀产沙预报.采用偏最小二乘法对多维自变量中的信息进行组合和提取,从而得到对因变量解释能力最强并可很好概括自变量信息的主成分,有效克服了变量之间的多重相关问题,实现了对高维数据的降维处理.把提取的主成分作为神经网络的输入,提高了网络的学习效率和稳健性.应用结果表明,偏最小二乘神经网络耦合模型的拟合和检验精度均优于偏最小二乘回归模型和人工神经网络模型精度.     

基于偏最小二乘回归的洪水预报方法

针对常规多元回归模型无法克服预报因子间复相关性的问题,提出了基于偏最小二乘回归的洪水预报方法.通过结合遗传算法与偏最小二乘回归来进行因子筛选,对筛选后的因子采用Bootstrap方法进行检验,再建立基于偏最小二乘回归的预报模型.实例分析结果表明,该方法建立的洪水预报模型结构简单,能依据给定目标进行因子筛选,有助于克服水...     

近红外光谱定量检测丙烷和异丁烷

近红外光谱分析技术结合偏最小二乘法（PLS）对多成分挥发性有机物（VOCs）进行连续的在线监测具有重要意义．用傅里叶变换红外光谱仪（FTIR）分析了丙烷和异丁烷2种挥发性有机物的近红外光谱特征．采用线性回归建模方法——偏最小二乘法在丙烷和异丁烷混合气体的近红外光谱范围（5600～6200cm^-1）内建立了预测模型．基于该模型预测了验证集样品中2种气体的含量,并对模型进行了评价．结果表明,对2种气体浓度的预测比较准确,相对误差基本在5％以内．     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Design and analysis of generic LBS application developing platform

Location based services is promising due to its novel working style and contents.A software platform is proposed to provide application programs of typical location based services and support new applications developing efficiently. The analysis shows that this scheme is easy implemented, low cost and adapt to all kinds of mobile nework system.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that