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用于激光吸收光谱二维重建的光谱优化选择方法研究
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作者 辛明原 宋俊玲 +2 位作者 饶伟 洪延姬 姜雅晶 《推进技术》 EI CAS CSCD 北大核心 2020年第10期2332-2340,共9页
光谱组合对多光谱重建技术的重建结果有很大影响,不合理的光谱组合会降低光谱测量的有效性,加大重建误差。为了从海量的光谱数据库中选出适用于被测流场参数范围的最优光谱组合,提出了一种基于向量组线性相关性的光谱选择方法,采用数值... 光谱组合对多光谱重建技术的重建结果有很大影响,不合理的光谱组合会降低光谱测量的有效性,加大重建误差。为了从海量的光谱数据库中选出适用于被测流场参数范围的最优光谱组合,提出了一种基于向量组线性相关性的光谱选择方法,采用数值仿真的方法开展研究,仿真结果验证了方法的可行性与可靠性。分析了测量信号无噪声和存在噪声时,光谱数量与重建结果的关系。研究发现最优光谱组合的线性相关指数小于0.01时,该组合存在光谱的冗余。保证测量有效性的同时光谱数量最少的光谱组合为线性相关指数不小于0.01的最优光谱组合。测量存在噪声时,光谱数量越多,噪声的抑制效果越好,重建结果精度更高。通过重复测量法可以有效降低噪声影响,用最少数量的光谱实现更多光谱的测量效果。 展开更多
关键词 激光吸收光谱 光谱重建 线性相关指数 光谱选择 光谱数量
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Preliminary Study on Spectra Diagnosis Model for Nitrogen Nutrition in Rice Leaf 被引量:4
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作者 李晓利 刘明博 +1 位作者 楼佳 唐延林 《Agricultural Science & Technology》 CAS 2011年第2期168-170,共3页
[Objective] The aim was to build spectral diagnosis model for nitrogen nutrition in rice leaf.[Method] Through determination of transmission,absorption spectra and nitrogen content on rice leaves of different rice var... [Objective] The aim was to build spectral diagnosis model for nitrogen nutrition in rice leaf.[Method] Through determination of transmission,absorption spectra and nitrogen content on rice leaves of different rice varieties(Xiangyou 109 and Shanyou 98),different growth periods and different nitrogen levels,we analyzed the correlation between leaf spectra and their nitrogen contents,and built prediction model of spectral index for nitrogen content in rice leaf.[Result] The detection precision of this model was above 80% that can be used on diagnosing of rice nitrogen nutrition.[Conclusion] The study provided evidence for monitoring nitrogen nutrition status of rice. 展开更多
关键词 RICE LEAF Nitrogen content Spectral index MODEL
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Regression Relationship between WI and FMC at Different Growth Periods of Sawtooth Oaks Leaf 被引量:2
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作者 费鲜芸 张志国 +2 位作者 卢霞 高祥伟 何润昭 《Agricultural Science & Technology》 CAS 2010年第7期49-52,共4页
[Objective] The aim was to study the regression relationship between water index (WI) and fuel moisture content (FMC) of different growth periods of sawtooth oaks leaf.[Method] Taking sawtooth oaks in Huaguo Mount... [Objective] The aim was to study the regression relationship between water index (WI) and fuel moisture content (FMC) of different growth periods of sawtooth oaks leaf.[Method] Taking sawtooth oaks in Huaguo Mountain,Lianyungang City as research object,the sensitivity of WI to leaf FMC was studied at leaf level,and statistical characteristics were analyzed.[Result] The WI of sawtooth oaks leaves was sensitive to the changes of FMC,and the line regression level between them was significant.A fitting curve between leaf FMC and WI was obtained.[Conclusion] The research provides reference for acquisition methods of vegetation water remote sensing within the range of study area. 展开更多
关键词 High spectral Fuel moisture index Water content Regression analysis Swatooth oaks leaf
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Relations Between Red Edge Characteristics and Agronomic Parameters of Crops 被引量:36
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作者 TANGYan-Lin WANGRen-Chao HUANGJing-Feng 《Pedosphere》 SCIE CAS CSCD 2004年第4期467-474,共8页
The hyperspectral reflectance of the canopy and the leaves on the main stemfor six varieties, two each of rice corn, and cotton crops, were measured at different growth stageswith an ASD FieldSpec Pro FR^(TM) to analy... The hyperspectral reflectance of the canopy and the leaves on the main stemfor six varieties, two each of rice corn, and cotton crops, were measured at different growth stageswith an ASD FieldSpec Pro FR^(TM) to analyze red edge characteristics forleaf area indices (LAI),aboveground biomass, as well as the chlorophyll, carotenoid, and nitrogen content, emphasizingcomparative differences on the red edge parameters. The results showed a 'double peak' phenomenonfor the red edge of the canopy spectra but not for the leaves. There were 'increase' and 'decrease'change rules for the red edge position, lambda_r, the red edge slope, D lambda_r, and the red edgearea, S_r, of the canopy spectra for all 3 crops with a 'blue shift' for lambda_r of the leafspectra for all 3 crops as the development stages progressed. For rice, corn, and cotton the LAI andfresh leaf mass had highly significant correlations (P < 0.01) to the red edge parameters lambda_r,D lambda_r, and S_r of their canopy spectra. Additionally, for all crops the chlorophyll-a,chlorophyll-b, total chlorophyll, and carotenoid content of the leaves all had highly significant (P< 0.01) correlations to their lambda_r. For rice, the nitrogen content of the leaves in g kg^(-1)and phytomassfor a unit area of land in g m^(-2) also had a highly significant (P < 0.01)correlation to lambda_r, D lambda_r lambda_r, and S_r of the canopy spectra. 展开更多
关键词 agronomic parameter CROP red edge parameter correlation analysis
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N = 4 Supersymmetric Morse Oscillator and Its Spectrum-Generating Algebra 被引量:1
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作者 RUAN Dong 《Communications in Theoretical Physics》 SCIE CAS CSCD 2005年第3X期499-504,共6页
In this paper N = 4 supersymmetry of generalized Morse oscillators in one dimension is studied. Both bound states and scattering states of its four superpartner Hamiltonians are analyzed by using unitary irreducible r... In this paper N = 4 supersymmetry of generalized Morse oscillators in one dimension is studied. Both bound states and scattering states of its four superpartner Hamiltonians are analyzed by using unitary irreducible representations of the noncompact Lie algebra su(1,1). The spectrum-generating algebra governing the Hamiltonian of the N = 4 supersymmetric Morse oscillator is shown to be connected with the realization of Lie superalgebra osp(1,2)or B(0,1) in terms of the variables of a supersymmetric two-dimensional harmonic oscillator. 展开更多
关键词 generalized Morse oscillator supersymmetric quantum mechanics su(1 1) osp(1 2)
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Monitoring Soil Salt Content Using HJ-1A Hyperspectral Data: A Case Study of Coastal Areas in Rudong County, Eastern China 被引量:5
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作者 LI Jianguo PU Lijie +5 位作者 ZHU Ming DAI Xiaoqing XU Yan CHEN Xinjian ZHANG Lifang ZHANG Runsen 《Chinese Geographical Science》 SCIE CSCD 2015年第2期213-223,共11页
Hyperspectral data are an important source for monitoring soil salt content on a large scale. However, in previous studies, barriers such as interference due to the presence of vegetation restricted the precision of m... Hyperspectral data are an important source for monitoring soil salt content on a large scale. However, in previous studies, barriers such as interference due to the presence of vegetation restricted the precision of mapping soil salt content. This study tested a new method for predicting soil salt content with improved precision by using Chinese hyperspectral data, Huan Jing-Hyper Spectral Imager(HJ-HSI), in the coastal area of Rudong County, Eastern China. The vegetation-covered area and coastal bare flat area were distinguished by using the normalized differential vegetation index at the band length of 705 nm(NDVI705). The soil salt content of each area was predicted by various algorithms. A Normal Soil Salt Content Response Index(NSSRI) was constructed from continuum-removed reflectance(CR-reflectance) at wavelengths of 908.95 nm and 687.41 nm to predict the soil salt content in the coastal bare flat area(NDVI705 < 0.2). The soil adjusted salinity index(SAVI) was applied to predict the soil salt content in the vegetation-covered area(NDVI705 ≥ 0.2). The results demonstrate that 1) the new method significantly improves the accuracy of soil salt content mapping(R2 = 0.6396, RMSE = 0.3591), and 2) HJ-HSI data can be used to map soil salt content precisely and are suitable for monitoring soil salt content on a large scale. 展开更多
关键词 soil salt content normalized differential vegetation index(NDVI) hyperspectral data Huan Jing-Hyper Spectral Imager(HJ-HSI) coastal area eastern China
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Properties of Bio-oil from Fast Pyrolysis of Rice Husk 被引量:14
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作者 郭秀娟 王树荣 +2 位作者 王琦 郭祚刚 骆仲泱 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2011年第1期116-121,共6页
Physicochemical properties of bio-oil obtained from fast pyrolysis of rice husk were studied in the present work.Molecular distillation was used to separate the crude bio-oil into three fractions viz.light fraction,mi... Physicochemical properties of bio-oil obtained from fast pyrolysis of rice husk were studied in the present work.Molecular distillation was used to separate the crude bio-oil into three fractions viz.light fraction,middle fraction and heavy fraction.Their chemical composition was analyzed by gas chromatograph and mass spectrometer(GC-MS).The thermal behavior,including evaporation and decomposition,was investigated using thermogravimetric analyzer coupled with Fourier transform infrared spectrometer(TG-FTIR).The product distribution was significantly affected by contents of cellulose,hemicellulose and lignin.The bio-oil yield was 46.36%(by mass) and the yield of gaseous products was 27%(by mass).The chemicals in the bio-oil included acids,aldehydes,ketones,alcohols,phenols,sugars,etc.The light fraction was mainly composed of acids and compounds with lower boiling point temperature,the middle and heavy fractions were consisted of phenols and levoglucosan.The thermal stability of the bio-oil was determined by the interactions and intersolubility of compounds.It was found that the thermal stability of bio-oil was better than the light fraction,but worse than the middle and heavy fractions. 展开更多
关键词 biochemical engineering BIO-OIL fast pyrolysis DECOMPOSITION DISTILLATION
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Quantitative Relationship Between Multi-Angle Polarized Reflectance and BRDF of Rock 被引量:5
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作者 ZHAO Yun-sheng WU Tai-xia +1 位作者 LIU Bao LUO Yang-jie 《Journal of China University of Mining and Technology》 EI 2005年第3期192-196,共5页
The traditional remote sensing mainly detects the ground vertically to obtain the 2D information but it is hard to get adequate parameters for the quantitative remote sensing to invert land features. The multi-angle o... The traditional remote sensing mainly detects the ground vertically to obtain the 2D information but it is hard to get adequate parameters for the quantitative remote sensing to invert land features. The multi-angle observation can get more detailed and reliable 3D structural parameters of targets, so it makes the quantitative remote sensing applicable. During the process of reflecting, scattering and transmitting the electromagnetic wave, minerals and rocks could reveal the polarized features related to the nature of themselves. Therefore, it has become a new approach of quantitative remote sensing to detect multi-angle polarized information of minerals and rocks. In respect that the polarized reflectance always goes with the bidirectional one, we can obtain the 3D spatial distribution of targets by a polarized means together with detecting its bi-directional reflectance. From the perspective of multi-angle polarized remote sensing mechanism, the quantitative relationship between multi-angle polarized reflectance and the BRDF is studied in this paper. And it is testified that the bi-directional reflectance, polarized reflectance of 45° and the mean value of polarized reflectance are equal to that of the corresponding azimuth angle, zenith angle, detection angle and detection channels in 27t space by experiment. 展开更多
关键词 ROCK Multi-angle Polarized reflectance BRDF Quantitative remote sensing
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IMPROVING THE FREQUENCY RESOLUTION OF DIGITALLY SYNTHESIZED PERIODIC SIGNALS BY A SEQUENTIAL ADDRESSING SCHEME 被引量:2
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作者 Tian Xinguang Duan Miyi +1 位作者 Sun Chunlai Chen Hong 《Journal of Electronics(China)》 2008年第5期661-666,共6页
In the digital synthesis of wideband periodic signals using an Arbitrary Waveform Gen-erator(AWG),the frequency resolution and spectral complexity of the synthesized signals are com-monly limited by the memory capacit... In the digital synthesis of wideband periodic signals using an Arbitrary Waveform Gen-erator(AWG),the frequency resolution and spectral complexity of the synthesized signals are com-monly limited by the memory capacity and clock frequency of the AWG.This paper proposes a novel sequential addressing scheme and then presents several sequences to improve the frequency resolution of the synthesized periodic signals without changing their spectral envelopes and basic time-domain characteristics under the condition of a fixed memory capacity and a fixed clock fre-quency.The main idea of the scheme is using the address generator in an AWG to program and produce addresses to read fixed waveform data in variable order,and thus to generate waveforms of various periods and profiles.The scheme is applied in simulating signal scenarios for military com-munication countermeasure experiments,and achieves high performance. 展开更多
关键词 Digital synthesis Frequency resolution Spectral envelope Sequential addressing
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Three Charged Bosons Confined in a Harmonic Trap
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作者 XIE Wen-Fang 《Communications in Theoretical Physics》 SCIE CAS CSCD 2005年第3X期529-531,共3页
A system of three charged bosons confined in a harmonic trap has been investigated by an exact diagonalization. We report a calculation for the energy spectrum of the low-lying states of a system of three charged boso... A system of three charged bosons confined in a harmonic trap has been investigated by an exact diagonalization. We report a calculation for the energy spectrum of the low-lying states of a system of three charged bosons.The important feature of the low-lying states of three charged bosons in a harmonic trap is obtained via an analysis of the energy spectrum. 展开更多
关键词 BOSON energy spectrum
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Estimation of As and Cu Contamination in Agricultural Soils Around a Mining Area by Reflectance Spectroscopy:A Case Study 被引量:32
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作者 REN Hong-Yan ZHUANG Da-Fang +3 位作者 A. N. SINGH PAN Jian-Jun QIU Dong-Sheng SHI Run-He 《Pedosphere》 SCIE CAS CSCD 2009年第6期719-726,共8页
Concentrations of Iron (Fe), As, and Cu in soil samples from the fields near the Baoshan Mine in Hunan Province, China, were analyzed and soil spectral reflectance was measured with an ASD FieldSpec FR spectroradiomet... Concentrations of Iron (Fe), As, and Cu in soil samples from the fields near the Baoshan Mine in Hunan Province, China, were analyzed and soil spectral reflectance was measured with an ASD FieldSpec FR spectroradiometer (Analytical Spectral Devices, Inc., USA) under laboratory condition. Partial least square regression (PLSR) models were constructed for predicting soil metal concentrations. The data pre-processing methods, first and second derivatives (FD and SD), baseline correction (BC), standard normal variate (SNV), multiplicative scatter correction (MSC), and continuum removal (CR), were used for the spectral reflectance data pretreatments. Then, the prediction results were evaluated by relative root mean square error (RRMSE) and coefficients of determination (R 2 ). According to the criteria of minimal RRMSE and maximal R 2 , the PLSR models with the FD pretreatment (RRMSE = 0.24, R 2 = 0.61), SNV pretreatment (RRMSE = 0.08, R 2 = 0.78), and BC-pretreatment (RRMSE = 0.20, R 2 = 0.41) were considered as the final models for predicting As, Fe, and Cu, respectively. Wavebands at around 460, 1 400, 1 900, and 2 200 nm were selected as important spectral variables to construct final models. In conclusion, concentrations of heavy metals in contaminated soils could be indirectly assessed by soil spectra according to the correlation between the spectrally featureless components and Fe; therefore, spectral reflectance would be an alternative tool for monitoring soil heavy metals contamination. 展开更多
关键词 data pre-processing heavy metal regression models soil iron spectral reflectance
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Elastic Collisions Between two Ground-State P and D Atoms at Low and Ultralow Temperatures
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作者 施德恒 张金平 +3 位作者 孙金锋 马恒 刘玉芳 朱遵略 《Communications in Theoretical Physics》 SCIE CAS CSCD 2010年第2期331-338,共8页
The PD(X^3∑^-) interaction potential is constructed using the CCSD(T) theory and the basis set, augcc-pV5Z. Using this potential, the spectroscopic parameters are accurately determined. The present Do, De, Re, ω... The PD(X^3∑^-) interaction potential is constructed using the CCSD(T) theory and the basis set, augcc-pV5Z. Using this potential, the spectroscopic parameters are accurately determined. The present Do, De, Re, ωe, ωeχe, αe, and Be are of 3.056 99 eV, 3.161 75 eV, 0.142 39 nm, 1701.558 cm^-1, 23.6583 cm^-1, 0.085 99 cm^-1, and 4.3963 cm^-1, respectively, which almost perfectly conform with the measurements. A total of 26 vibrational states is predicted when J = 0 by solving the radial Sehrodinger equation of nuclear motion. The complete vibrational levels, classical turning points, initial rotation and centrifugal distortion constants when J = 0 are reported for the first time, which favorably agree with the experiments. The total and various partial-wave cross sections are calculated for the elastic impact between two ground-state P and D atoms at 1.0 × 10^-12 - 1.0 × 10^-4 a.u. when they approach each other along the PD(X^3∑^-) potential. No shape resonances exist in the total elastic cross sections, though the peaks can be found for each partial wave until l=6. The shape of the total elastic cross sections is dominated by the s partial wave at very low temperatures. Due to the weakness of the shape resonances of each partial wave, they are all passed into oblivion by the strong total elastic cross sections. 展开更多
关键词 elastic scattering total cross section shape resonance molecular constant
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Data organization and management of mine typical object spectral libraries
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作者 季民 Jin Fengxiang +2 位作者 Li Ting Sun Yong Guo Lifeng 《High Technology Letters》 EI CAS 2015年第1期96-101,共6页
With the development of mining industry,people have obtained profits from it,but they are facing environmental damages.In order to monitor these environmental changes,a spectral library is set up for the spectrum data... With the development of mining industry,people have obtained profits from it,but they are facing environmental damages.In order to monitor these environmental changes,a spectral library is set up for the spectrum data organization and management of mine typical objects.Most of the spectrum data come from the long-term field measuring in mining area and other spectral libraries.For the data quality control and error detection in the measuring data,an inner precision calculation method is presented and a series of interactive graphical controls are developed for the spectrum visualization and analysis.Through extracting and saving spectrum characters for the mine typical objects,realizs spectrum matching and classification for new measured spectrum samples are realized by using Euclidean distance,Aitchison distance,Pearson correlation coefficient and vector angular cosine methods.Based on the matching result,this work is able to gather dynamically physicochemical environment parameters from the library and gives an early warning for the mine environmental changes. 展开更多
关键词 spectral library mine typical object data organization data quality control spectrum matching spectrum analyzing
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Some Peculiarities of the Preprocessing of Spectral Data and Images
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作者 Valentin Atanassov Georgi Jelev Lubomira Kraleva 《Journal of Shipping and Ocean Engineering》 2013年第1期55-60,共6页
Remotely sensed spectral data and images are acquired under significant additional effects accompanying their major formation process, which greatly determine measurement accuracy. In order to be used in subsequent qu... Remotely sensed spectral data and images are acquired under significant additional effects accompanying their major formation process, which greatly determine measurement accuracy. In order to be used in subsequent quantitative analysis and assessment, this data should be subject to preliminary processing aiming to improve its accuracy and credibility. The paper considers some major problems related with preliminary processing of remotely sensed spectral data and images. The major factors are analyzed, which affect the occurrence of data noise or uncertainties and the methods for reduction or removal thereof. Assessment is made of the extent to which available equipment and technologies may help reduce measurement errors. 展开更多
关键词 SPECTROMETRY spectral data and images preliminary processing.
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Analysis of influence of water temperature on milk powder proteins using MALDI-TOF MS
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作者 WANG Zheng-fang QI Xiao-hua +2 位作者 ZOU Ming-qiang ZHANG Fan ZHANG Zhuo-yong 《Journal of Life Sciences》 2009年第9期49-53,共5页
The influence of water temperature on protein composition in the reconstitution of milk powder was evaluated using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS). 11 ion ... The influence of water temperature on protein composition in the reconstitution of milk powder was evaluated using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS). 11 ion peaks in the matrix-assisted laser desorption/ionization (MALDI) spectra were examined to study the alteration of relative quantities of milk proteins when water at different temperature was employed in the reconstitution of milk powder. A discrepancy factor Dij was implemented to represent the degree of milk proteins' denaturation. Data obtained indicated that Dij value increased with rising water temperature, and thermal damage to milk proteins became evidently when the water temperature exceeded 60℃. The results confirmed that nutrient loss occurred when milk proteins denatured in water at high temperatures. 展开更多
关键词 MALDI-TOF MS milk protein water temperature DENATURATION nutrition loss composition analysis
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Reactive Extraction of Nicotinic Acid with Trialkylamine in n-Octanol 被引量:2
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作者 李德亮 于飞 常志显 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2012年第5期843-848,共6页
The distributions of nicotinic acid (NA) between water and trialkylamine (N235) dissolved in n-octanol was studied. The complexes of N235 and NA were investigated by Fourier transformation infrared spectrometry to ded... The distributions of nicotinic acid (NA) between water and trialkylamine (N235) dissolved in n-octanol was studied. The complexes of N235 and NA were investigated by Fourier transformation infrared spectrometry to deduce the reaction mechanism. It was found that N235/n-octanol was an efficient extractant for extracting nicotinic acid. The favorable operation conditions were equilibrium aqueous pH 4.2 to 5.5 and initial N235 concentration<0.42 mol·L-1 . The reaction processes included the reaction between neutral N235 and neutral NA and the reaction between protonated N235 and anionic NA. Based on the mass action law and some assumptions, an expression for distribution coefficient D was proposed. The apparent extraction equilibrium constants were calculated by fitting the experimental data and the results were satisfactory. 展开更多
关键词 nicotinic acid reactive extraction trlalkylamlne proton-transter
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A Derivative Recovery Spectral Volume Model for the Analysis of Constituents Transport in One-Dimensional Flows
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作者 Luigi Cimorellil Carmine Covelli1 +2 位作者 Luca Cozzolino Renata Della Morte Domenico Pianese 《Journal of Mathematics and System Science》 2012年第5期334-340,共7页
The treatment of advective fluxes in high-order finite volume models is well established, but this is not the case for diffusive fluxes, due to the conflict between the discontinuous representation of the solution and... The treatment of advective fluxes in high-order finite volume models is well established, but this is not the case for diffusive fluxes, due to the conflict between the discontinuous representation of the solution and the continuous structure of analytic solutions. In this paper, a derivative reconstruction approach is proposed in the context of spectral volume methods, for the approximation of diffusive fluxes, aiming at the reconciliation of this conflict. Two different reconstructions are used for advective and diffusive fluxes: the advective reconstruction makes use of the information contained in a spectral cell, and allows the formation of discontinuities at the spectral cells boundaries; the diffusive reconstruction makes use of the information contained in contiguous spectral cells, imposing the continuity of the reconstruction at the spectral cells boundaries. The method is demonstrated by a number of numerical experiments, including the solution of shallow-water equations, complemented with the advective-diffusive transport equation of a conservative substance, showing the promising abilities of the numerical scheme proposed. 展开更多
关键词 Spectral volume method derivative recovery method advection-diffusion problems C-property well-balanced.
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Ab initio Study on Ionization Energies of 1-Methyl-hypoxanthine
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作者 Ke-dong Wang Da-peng Yang Yu-fang Liu 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2012年第5期540-544,I0003,共6页
Six low-lying tautomers of 1-methyl-hypoxanthine have been studied at the B3LYP/aug-cc- pVDZ level. Two tautomers NTH and N9H with the comparable energies are far more stable than the others. The vertical ionization e... Six low-lying tautomers of 1-methyl-hypoxanthine have been studied at the B3LYP/aug-cc- pVDZ level. Two tautomers NTH and N9H with the comparable energies are far more stable than the others. The vertical ionization energies of the tautomers calculated with ab initio electron propagator theory in the P3/aug-cc-pVDZ approximation are in agreement with the experimental data from photoelectron spectroscopy. According to the calculated relative energies and the comparison between the simulated and the experimental photoelectron spectra, it demonstrates that there are at least two tautomers of 1-methyl-hypoxanthine in the gas-phase experiments. 展开更多
关键词 TAUTOMER Ionization energy Relative energy Photoelectron spectrum
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Spectroscopic Parameters of X^3∑^-, a^1△, and A^'3△ Electronic States of SO Radical
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作者 Jie-min Wang Heng-qiang Feng +2 位作者 Jin-feng Sun De-heng Shi Zun-lue Zhu 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2012年第5期533-539,I0003,共8页
The potential energy curves (PECs) of three low-lying electronic states (X^3∑, a^1△, and a^3△) of SO radical have been studied by ab initio quantum chemical method. The calcula- tions were carried out with the ... The potential energy curves (PECs) of three low-lying electronic states (X^3∑, a^1△, and a^3△) of SO radical have been studied by ab initio quantum chemical method. The calcula- tions were carried out with the full valence complete active space self-consistent field method followed by the highly accurate valence internally contracted multireference configuration in- teraction (MRCI) approach in combination with correlation-consistent basis sets. Effects of the core-valence correlation and relativistic corrections on the PECs are taken into account. The core-valence correlation correction is carried out with the cc-pCVDZ basis set. The way to consider the relativistic correction is to use the second-order Douglas-Kroll Hamiltonian approximation, and the correction is performed at the level of cc-pV5Z basis set. To obtain more reliable results, the PECs determined by the MRCI calculations are also corrected for size-extensivity errors by means of the Davidson modification (MRCI+Q). These PECs are extrapolated to the complete basis set limit by the two-point energy extrapolation scheme. With these PECs, the spectroscopic parameters are determined. 展开更多
关键词 Spectroscopic parameter Core-valence correlation Relativistic correction EXTRAPOLATION
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Model-Based Integrated Methods for Quantitative Estimation of Soil Salinity from Hyperspectral Remote Sensing Data:A Case Study of Selected South African Soils 被引量:30
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作者 Z. E. MASHIMBYE M. A. CHO +3 位作者 J. P. NELL W. P. DE CLERCQ A. VAN NIEKERK D. P. TURNER 《Pedosphere》 SCIE CAS CSCD 2012年第5期640-649,共10页
Soil salinization is a land degradation process that leads to reduced agricultural yields. This study investigated the method that can best predict electrical conductivity (EC) in dry soils using individual bands, a n... Soil salinization is a land degradation process that leads to reduced agricultural yields. This study investigated the method that can best predict electrical conductivity (EC) in dry soils using individual bands, a normalized difference salinity index (NDSI), partial least squares regression (PLSR), and bagging PLSR. Soil spectral reflectance of dried, ground, and sieved soil samples containing varying amounts of EC was measured using an ASD FieldSpec spectrometer in a darkroom. Predictive models were computed using a training dataset. An independent validation dataset was used to validate the models. The results showed that good predictions could be made based on bagging PLSR using first derivative reflectance (validation R2 = 0.85), PLSR using untransformed reflectance (validation R2 = 0.70), NDSI (validation R2 = 0.65), and the untransformed individual band at 2257 nm (validation R2 = 0.60) predictive models. These suggested the potential of mapping soil salinity using airborne and/or satellite hyperspectral data during dry seasons. 展开更多
关键词 electrical conductivity land degradation partial least squares regression salinity index spectral reflectance
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