SHORT COMMUNICATION APPLICATION OF THE POWELL METHOD TO THE OPTIMIZATION OF FLOW INJECTION SYSTEMS

This paper describes the application of the Powell algorithm to the optimization of a flow injectionsystem configuration.The performance of this algorithm has been compared with the modified simplexmethod.The system studied is the determination of ammonia,based on the indophenol blue reaction.Alinear combination of sensitivity and sample throughput is used as the objective function because of itssimultaneous optimization capability.Results obtained show that the proposed method may reach theoptimal conditions with a lower number of experimental evaluations.     

Ab initio prediction of 29Si-NMR chemical shifts

The ability of several ab initio models to predict experimental ²⁹Si-NMR chemical shift is examined. The shielding values of trimethylsilyl chloride (A), t-butyldimethylsilyl chloride (B) and allytrimethylsilane (C) are calculated by GIAO, CSGT and IGAIM methods, using HF/6–31G^*, B3LYP/6-31G^*, HF/6–311+G^**, B3LYP/6–311+G^** and MPW1PW91/6–311+G^** models respectively. The ²⁹Si chemical shifts calculated by GIAO method using HF/6–311+G^** model are highly in agreement with those obtained experimentally. All of the models above reproduce the trends of chemical shifts in all cases studied, suggesting that the models are of practical value.     

热解—动力学光度法测定岩石和化探样品中痕量溴

以五氧化二钒为熔剂,用热解分离富集痕量溴,吸收于0.036mol/l 氢氧化钾中,在1.34mol/l 硫酸和硝酸混合溶液中,溴离子催化高锰酸钾对碘的氧化,用苯萃取未反应碘,然后用硫氢酸汞—硫酸高铁铵比色法测定溴。本方法灵敏度高,远择性好,操作简便、快速,方法检出限为0.35ppm 溴,标准偏差为11.63％。     

庐山羊角岭红色泥砾泥石流成因质疑——与施雅风、邓养鑫商榷

作者根据庐山羊角岭红色泥砾的岩性特征,从地形和堆积物的宏观和微观特征进行分析研究,得出庐山有第四纪冰川。     

Assessing surface water quality of the Yangtze Estuary with genotoxicity data

The present study investigated the genotoxicity of the surface water samples from the Yangtze Estuary with the Ames test in three seasons. Several important chemical parameters, such as COD inorganic nitrogen, active phosphate and heavy metals, were also analyzed at the same time. According the results, surface water samples from the south branch and a few of samples at the seaward end of the Yangtze Estuary show positive genotoxicity in some seasons. Chemical analysis revealed that the Yangtze Estuary was seriously polluted by inorganic nitrogen and by active phosphate. However, chemical parameters could not demonstrate the spatial variation of water quality of the estuary, and they could not assess adverse effects of chemicals in mixtures as well. Therefore, it is recommended that genotoxicity data, mutation rate of the Salmonella typhimurium strain TA98 at the dose of 1 l per plate, be taken as a new parameter assessing surface water quality of the Yangtze Estuary. Our studies also suggested that genetic toxicology assays, such as the Ames test, could be applied as a routine measure to monitoring marine environment in China. The paper proposes a development of the National Seawater Quality Standard of China.     

Pattern classification using tabu search to identify the spatial distribution of groundwater pumping

Pattern classification and Tabu Search are integrated to optimize the zonation and associated average groundwater pumping rates. A simulated problem analogous to the Choushui Creek Alluvial in Janghauh county of Taiwan is used to examine the proposed method. Three problems are tested including (1) optimizing zonation patterns with known pumping rates and number of zones, (2) optimizing pumping rates and zonation patterns with a predetermined number of zones, and (3) optimizing all pumping rates, number of zones, and zonation. The results indicate that the proposed method successfully identifies spatial patterns of groundwater pumping for all three cases. However, some initial zonations result only in local optimums. Thus, using more than one initial zonation to increase search diversification is recommended. Application to different problems such as the spatial distribution of hydraulic conductivity values and area weighting of rainfall stations, is encouraged.

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Resumen El patrón de clasificación y la búsqueda tabú están integrados para optimizar la zonificación y las tasas promedio de bombeo de aguas subterráneas asociadas. Se ha utilizado un área diseñada análoga al arroyo aluvial Choushui en la provincia Janghauh en Taiwan para examinar el método propuesto. Se han probado tres problemas que incluyen (1) la zonificación únicamente con las tasas de bombeo y número de zonas dadas, (2) tasa de bombeo y zonificación con un número predeterminado de zonas, y (3) todas las tasa de bombeo, número de zonas y zonificaciones. Los resultados indican que el método propuesto identifica exitosamente los patrones espaciales de bombeo de las aguas subterráneas en los tres casos. Sin embargo, Algunas zonificaciones iniciales solamente resultan en óptimos locales. Por esta razón se recomienda utilizar más de una zonificación inicial para incrementar la diversificación de la búsqueda. Se sugiere la aplicación a problemas diferentes tales como la distribución espacial de conductividades hidraúlicas y la ponderación de áreas de estaciones de monitoreo de precipitación.

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Résumé La classification des patrons et la recherche Tabu sont intégrés pour optimiser la zonation et la moyenne associée du taux de pompage de leau souterraine. Une région analogue à lalluvion du ruisseau Choushui de la région Janghauh en Taiwan a été recrée afin dexaminer la méthode proposée. Trois problèmes sont évalués, incluant loptimisation de (1) la zonation avec seulement un taux de pompage et un nombre de zones donnés, (2) le taux de pompage et la zonation avec un nombre prédéterminé de zones, et (3) tous les taux de pompage, nombre de zones et la zonation. Les résultats indiquent que la méthode proposée identifie avec succès les patrons de pompage de leau souterraine dans les trois cas. Toutefois, certaines zonations initiales résultent seulement en optimums locaux. Par conséquent, lutilisation de plus dune zonation initiale afin daugmenter la diversification de la recherche est recommandée. Lutilisation de la méthode est suggérée pour la résolution de différents problèmes tels que la distribution spatiale de la conductivité hydraulique et la pondération des stations de mesure de précipitations.

     

脱硝技术与天然气应用情景下京津冀地区空气质量模拟评估

针对京津冀地区主要大气污染物NOx（氮氧化物）和PM2.5（大气中粒径小于或等于2.5μm的颗粒物）,应用柴油车尾气净化技术及中小锅炉烟气脱硝技术,并根据2015年和2030年我国能源规划,设计3种技术应用情景,采用WRF-CAMx耦合模式,对京津冀地区大气中NOx和PM2.5进行了应用情景模拟。结果表明,单独应用柴油车尾气净化技术后（方案1）,北京、天津地区大气中的NOx浓度降低幅度达20%,河北地区降低5%;PM2.5的浓度降低幅度约10%;应用柴油车尾气净化技术和2015年能源规划情景（方案2）,京津冀地区大气中NOx和PM2.5浓度的降低幅度均超过20%;应用柴油车尾气净化技术和2030年能源规划情景（方案3）,该地区NOx浓度降低幅度与之相当,PM2.5浓度降低幅度超过30%。可见脱硝技术和清洁能源利用的有效性依赖于其应用比例。二次气粒转化的化学过程形成的硝酸盐、硫酸盐和铵盐对该地区空气中PM2.5浓度的贡献很大,冬、春、秋季硝酸盐最大贡献高达60%,夏、秋季硫酸盐最大贡献超过70%,铵盐四季最大贡献约25%。这说明PM2.5的主要前体物NOx、SO2、NH3、VOCs (Volatile Organic Compounds)、CO等均大幅度削减才能有效降低该地区空气中PM2.5浓度。     

Aerosol characteristics during winter fog at Agra,North India

Simultaneous measurements on physical, chemical and optical properties of aerosols over a tropical semi-arid location, Agra in north India, were undertaken during December 2004. The average concentration of total suspended particulates (TSP) increased by about 1.4 times during intense foggy/hazy days. Concentrations of SO₄ ²⁻, NO₃ ⁻, NH₄ ⁺ and Black Carbon (BC) aerosols increased by 4, 2, 3.5 and 1.7 times, respectively during that period. Aerosols were acidic during intense foggy/hazy days but the fog water showed alkaline nature, mainly due to the neutralizing capacity of NH₄ aerosols. Trajectory analyses showed that air masses were predominantly from NW direction, which might be responsible for transport of BC from distant and surrounding local sources. Diurnal variation of BC on all days showed a morning and an evening peak that were related to domestic cooking and vehicular emissions, apart from boundary layer changes. OPAC (Optical properties of aerosols and clouds) model was used to compute the optical properties of aerosols. Both OPAC-derived and observed aerosol optical depth (AOD) values showed spectral variation with high loadings in the short wavelengths (<1 μm). AOD value at 0.5 μm wavelength was significantly high during intense foggy/hazy days (1.22) than during clear sky or less foggy/hazy days (0.63). OPAC-derived Single scattering albedo (SSA) was 0.84 during the observational period, indicating significant contribution of absorbing aerosols. However, the BC mass fraction to TSP increased by only 1% during intense foggy/hazy days and thereby did not show any impact on SSA during that period. A large increase was observed in the shortwave (SW) atmospheric (ATM) forcing during intense foggy/hazy days (+75.8 W/m²) than that during clear sky or less foggy/hazy days (+38 W/m²), mainly due to increase in absorbing aerosols. Whereas SW forcing at surface (SUF) increased from −40 W/m² during clear sky or less foggy/hazy days to −76 W/m² during intense foggy/hazy days, mainly due to the scattering aerosols like SO₄ ^2-.     

Compositions and source apportionments of atmospheric aerosol during Asian dust storm and local pollution in central Taiwan

A study has been carried out on water soluble ions, trace elements, as well as PM_2.5 and PM_2.5–10 elemental and organic carbon samples collected daily from Central Taiwan over a one year period in 2005. A source apportionment study was performed, employing a Gaussian trajectory transfer coefficient model (GTx) to the results from 141 sets of PM_2.5 and PM_2.5–10 samples. Two different types of PM₁₀ episodes, local pollution (LOP) and Asian dust storm (ADS) were observed in this study. The results revealed that relative high concentrations of secondary aerosols (NO₃⁻, SO₄²⁻ and NH₄⁺) and the elements Cu, Zn, Cd, Pb and As were observed in PM_2.5 during LOP periods. However, sea salt species (Na⁺ and Cl⁻) and crustal elements (e.g., Al, Fe, Mg, K, Ca and Ti) of PM_2.5–10 showed a sharp increase during ADS periods. Anthropogenic source metals, Cu, Zn, Cd, Pb and As, as well as coarse nitrate also increased with ADS episodes. Moreover, reconstruction of aerosol compositions revealed that soil of PM_2.5–10 elevated approximately 12–14% in ADS periods than LOP and Clear periods. A significantly high ratio of non-sea salt sulfate to elemental carbon (NSS-SO₄²⁻/EC) of PM_2.5–10 during ADS periods was associated with higher concentrations of non-sea-salt sulfates from the industrial regions of China. Source apportionment analysis showed that 39% of PM₁₀, 25% of PM_2.5, 50% of PM_2.5–10, 42% of sulfate and 30% of nitrate were attributable to the long range transport during ADS periods, respectively.     

粒子群算法与支持向量机相结合的热带气旋强度预报试验

支持向量机(SVM)的惩罚参数及核参数的选择直接影响到模型效果,通过粒子群算法(PSO)解决支持向量机的参数选择问题,实现了参数选择的自动化。将该方法应用于热带气旋强度预报,利用气候持续性因子,挑选了1990年的100个左右样本进行预报检验,预报时效为12 h、24 h、36 h、48 h的强度平均绝对误差分别为3.00、4.35、4.93和6.68 m/s。另外,还与国外预报结果及采用最小二乘回归法的预报结果进行了效果的比较,SVM方法显示了更好的预报能力。