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Li G Artamonov M Rabitz H Wang SW Georgopoulos PG Demiralp M 《Journal of computational chemistry》2003,24(5):647-656
High-dimensional model representation (HDMR) is a general set of quantitative model assessment and analysis tools for improving the efficiency of deducing high dimensional input-output system behavior. RS-HDMR is a particular form of HDMR based on random sampling (RS) of the input variables. The component functions in an HDMR expansion are optimal choices tailored to the n-variate function f(x) being represented over the desired domain of the n-dimensional vector x. The high-order terms (usually larger than second order, or equivalently beyond cooperativity between pairs of variables) in the expansion are often negligible. When it is necessary to go beyond the first and the second order RS-HDMR, this article introduces a modified low-order term product (lp)-RS-HDMR method to approximately represent the high-order RS-HDMR component functions as products of low-order functions. Using this method the high-order truncated RS-HDMR expansions may be constructed without directly computing the original high-order terms. The mathematical foundations of lp-RS-HDMR are presented along with an illustration of its utility in an atmospheric chemical kinetics model. 相似文献
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湍流大气中光波闪烁的圆环孔径平均因子 总被引:2,自引:1,他引:2
利用弱起伏条件下球面波在大气湍流中传输的光强起伏(闪烁)理论和圆环孔径滤波函数,获得了圆环孔径平均因子的精确表达式。将圆环孔径平均因子关于一个无量纲参量(孔径半径与菲涅耳尺度的比值)拟合成2阶多项式,再找出多项式系数与孔径内外径之比的函数关系,获得了圆环孔径平均因子关于该参量和孔径内外径之比的函数关系式。通过误差分析确定了拟合关系式的适用范围,在此范围内,拟合式与精确式的相对误差小于25%。分别用Tatarskii谱和修正Hill谱分析了湍流内尺度对圆环孔径平均因子的影响,结果显示:在其他条件不变的情况下,内尺度越大,孔径平均效应相对越小。 相似文献
96.
Quan Shi Narendiran Vitchuli Joshua Nowak Zhan Lin Bingkun Guo Marian Mccord Mohamed Bourham Xiangwu Zhang 《Journal of Polymer Science.Polymer Physics》2011,49(2):115-122
The electrospinnability of polyethylene oxide (PEO) was manipulated by atmospheric plasma treatment of pre‐electrospinning solutions. Conductivity, viscosity, and surface tension of PEO solutions increased after plasma treatment, and the plasma effect remained longer when the solution concentrate increased. Both untreated and treated solutions were then electrospun, and the morphology of the resultant nanofibers was observed by SEM. Atmospheric plasma treatment improved the electrospinnability of PEO solutions and led to less beads and finer diameter distribution in the resultant nanofibers. Additionally, plasma treatment of the pre‐electrospinning solutions affected the crystal structure of resultant nanofibers. These results suggest that atmospheric plasma treatment is a feasible approach to improve the electrospinnability of polymer solutions and can used to control the structure of electrospun nanofibers. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011 相似文献
97.
T. Portolés J. V. Sancho F. Hernández A. Newton P. Hancock 《Journal of mass spectrometry : JMS》2010,45(8):926-936
The potential applications of a new atmospheric pressure source for GC‐MS analysis have been investigated in this work. A list of around 100 GC‐amenable pesticides, which includes organochlorine, organophosphorus and organonitrogenated compounds, has been used to evaluate their behavior in the new source. Favoring the major formation of the molecular ion in the source has been the main goal due to the wide‐scope screening possibilities that this fact brings in comparison with the traditional, highly fragmented electron ionization spectra. Thus, the addition of water as modifier has been tested as a way to promote the generation of protonated molecules. Pesticides investigated have been classified into six groups according to their ionization/fragmentation behavior. Four of them are characterized by the abundant formation of the protonated molecule in the atmospheric pressure source, mostly being the base peak of the spectrum. These results show that wide‐scope screening could be easily performed with this source by investigating the presence of the protonated molecule ion, MH+. The developed procedure has been applied to pesticide screening in different food samples (nectarine, orange and spinach) and it has allowed the presence of several pesticides to be confirmed such as chlorpyriphos ethyl, deltamethrin and endosulfan sulfate. The availability of a quadrupole time‐of‐flight instrument made it feasible to perform additional MS/MS experiments for both standards and samples to go further in the confirmation of the identity of the detected compounds. Results shown in this paper have been obtained using a prototype source which exhibits promising features that could be applied to other analytical problems apart from those illustrated in this work. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
98.
W. A. Korfmacher L. G. Rushing J. Arey B. Zielinska J. N. Pitts 《Journal of separation science》1987,10(12):641-646
This paper describes the use of high resolution capillary gas chromatography combined with negative ion atmospheric pressure ionization mass spectrometry (NIAPIMS) for the analysis of an air particulate extract for mononitropyrenes and mononitrofluoranthenes, some of which are powerful bacterial mutagens. The results are compared to those obtained by the electron impact mass spectrometric analysis of the same sample In addition, the NIAPIMS method confirmed the identification of 4-nitropyrene in the ambient air sample. 相似文献
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XU GaoChao LIU RuiQuan & WANG Jin College of Chemistry Chemical Engineering Xinjiang University Urumqi China 《中国科学B辑(英文版)》2009,(8)
Samaria-doped ceria Ce0.8Sm0.2O2-δ(SDC) and SmFe0.7Cu0.3-xNixO3 have been synthesized by the sol-gel method and characterized by X-ray diffraction(XRD),transmission electron microscopy(TEM) and scanning electron microscopy(SEM).The electrochemical synthesis of ammonia was investigated at atmospheric pressure and low temperature,using the SFCN materials as the cathode,a Nafion membrane as the electrolyte,nickel-doped SDC(Ni-SDC) as the anode and silver-platinum paste as the current collector.Ammonia was synt... 相似文献