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Error Limits (error + limit)
Selected AbstractsRemoval of arsenic from simulated groundwater by GAC-Fe: A modeling approachAICHE JOURNAL, Issue 7 2009P. Mondal Abstract A study on kinetics and equilibrium is presented on the adsorption of arsenic species from simulated groundwater containing arsenic (As(III):As(V)::1:1), Fe and Mn in concentrations of 0.188 mg/L, 2.8 mg/L and 0.6 mg/L, respectively, by iron impregnated granular activated charcoal (GAC-Fe). Also presented is the interaction effect of As, Fe and Mn on the removal of arsenic species from water, which simulates contaminated groundwater. Among conventional models, pseudo second-order kinetic model and Freundlich isotherm were adequate to explain the kinetics and equilibrium of adsorption process, respectively. However, in comparison to conventional isotherm empirical polynomial isotherm provided a more accurate prediction on equilibrium specific uptakes of arsenic species. Effects of initial concentrations of As, Fe and Mn on the removal of total arsenic (As(T)), As(V) & As(III) have been correlated within the error limit of ,0.2 to +5.64%. © 2009 American Institute of Chemical Engineers AIChE J, 2009 [source] Using a triple-quadrupole mass spectrometer in accurate mass mode and an ion correlation program to identify compounds,RAPID COMMUNICATIONS IN MASS SPECTROMETRY, Issue 18 2005Andrew H. Grange Atomic masses and isotopic abundances are independent and complementary properties for discriminating among ion compositions. The number of possible ion compositions is greatly reduced by accurately measuring exact masses of monoisotopic ions and the relative isotopic abundances (RIAs) of the ions greater in mass by +1,Da and +2,Da. When both properties are measured, a mass error limit of 6,10,mDa (<,31,ppm at 320,Da) and an RIA error limit of 10% are generally adequate for determining unique ion compositions for precursor and fragment ions produced from small molecules (less than 320,Da in this study). ,Inherent interferences', i.e., mass peaks seen in the product ion mass spectrum of the monoisotopic [M+H]+ ion of an analyte that are ,2, ,1, +1, or +2,Da different in mass from monoisotopic fragment ion masses, distort measured RIAs. This problem is overcome using an ion correlation program to compare the numbers of atoms of each element in a precursor ion to the sum of those in each fragment ion and its corresponding neutral loss. Synergy occurs when accurate measurement of only one pair of +1,Da and +2,Da RIAs for the precursor ion or a fragment ion rejects all but one possible ion composition for that ion, thereby indirectly rejecting all but one fragment ion-neutral loss combination for other exact masses. A triple-quadrupole mass spectrometer with accurate mass capability, using atmospheric pressure chemical ionization (APCI), was used to measure masses and RIAs of precursor and fragment ions. Nine chemicals were investigated as simulated unknowns. Mass accuracy and RIA accuracy were sufficient to determine unique compositions for all precursor ions and all but two of 40 fragment ions, and the two corresponding neutral losses. Interrogation of the chemical literature provided between one and three possible compounds for each of the nine analytes. This approach for identifying compounds compensates for the lack of commercial ESI and APCI mass spectral libraries, which precludes making tentative identifications based on spectral matches. Published in 2005 by John Wiley & Sons, Ltd. [source] Identification based adaptive iterative learning controllerASIAN JOURNAL OF CONTROL, Issue 5 2010Suhail Ashraf Abstract In recent years, more research in the control field has been in the area of self-learning and adaptable systems, such as a robot that can teach itself to improve its performance. One of the more promising algorithms for self-learning control systems is Iterative Learning Control (ILC), which is an algorithm capable of tracking a desired trajectory within a specified error limit. Conventional ILC algorithms have the problem of relatively slow convergence rate and adaptability. This paper suggests a novel approach by combining system identification techniques with the proposed ILC approach to overcome the aforementioned problems. The ensuing design procedure is explained and results are accrued from a number of simulation examples. A key point in the proposed scheme is the computation of gain matrices using the steepest descent approach. It has been found that the learning rule can be guaranteed to converge if certain conditions are satisfied. Copyright © 2010 John Wiley and Sons Asia Pte Ltd and Chinese Automatic Control Society [source] An evaluation of sediment rating curves for estimating suspended sediment concentrations for subsequent flux calculations,HYDROLOGICAL PROCESSES, Issue 17 2003Arthur J. Horowitz Abstract In the absence of actual suspended sediment concentration (SSC) measurements, hydrologists have used sediment rating (sediment transport) curves to estimate (predict) SSCs for subsequent flux calculations. Various evaluations of the sediment rating-curve method were made using data from long-term, daily sediment-measuring sites within large (>1 000 000 km2), medium (<1 000 000 to >1000 km2), and small (<1000 km2) river basins in the USA and Europe relative to the estimation of suspended sediment fluxes. The evaluations address such issues as the accuracy of flux estimations for various levels of temporal resolution as well as the impact of sampling frequency on the magnitude of flux estimation errors. The sediment rating-curve method tends to underpredict high, and overpredict low SSCs. As such, the range of errors associated with concomitant flux estimates for relatively short time-frames (e.g. daily, weekly) are likely to be substantially larger than those associated with longer time-frames (e.g. quarterly, annually) because the over- and underpredictions do not have sufficient time to balance each other. Hence, when error limits must be kept under ±20%, temporal resolution probably should be limited to quarterly or greater. The evaluations indicate that over periods of 20 or more years, errors of <1% can be achieved using a single sediment rating curve based on data spanning the entire period. However, somewhat better estimates for the entire period, and markedly better annual estimates within the period, can be obtained if individual annual sediment rating curves are used instead. Relatively accurate (errors <±20%) annual suspended sediment fluxes can be obtained from hydrologically based monthly measurements/samples. For 5-year periods or longer, similar results can be obtained from measurements/samples collected once every 2 months. In either case, hydrologically based sampling, as opposed to calendar-based sampling is likely to limit the magnitude of flux estimation errors. Published in 2003 John Wiley & Sons, Ltd. [source] Characteristics of preferential flow and groundwater discharge to Shingobee Lake, Minnesota, USAHYDROLOGICAL PROCESSES, Issue 10 2002Hans F. Kishel Abstract Small-scale heterogeneities and large changes in hydraulic gradient over short distances can create preferential groundwater flow paths that discharge to lakes. A 170 m2 grid within an area of springs and seeps along the shore of Shingobee Lake, Minnesota, was intensively instrumented to characterize groundwater-lake interaction within underlying organic-rich soil and sandy glacial sediments. Seepage meters in the lake and piezometer nests, installed at depths of 0·5 and 1·0 m below the ground surface and lakebed, were used to estimate groundwater flow. Statistical analysis of hydraulic conductivity estimated from slug tests indicated a range from 21 to 4·8 × 10,3 m day,1 and small spatial correlation. Although hydraulic gradients are overall upward and toward the lake, surface water that flows onto an area about 2 m onshore results in downward flow and localized recharge. Most flow occurred within 3 m of the shore through more permeable pathways. Seepage meter and Darcy law estimates of groundwater discharge agreed well within error limits. In the small area examined, discharge decreases irregularly with distance into the lake, indicating that sediment heterogeneity plays an important role in the distribution of groundwater discharge. Temperature gradients showed some relationship to discharge, but neither temperature profiles nor specific electrical conductance could provide a more convenient method to map groundwater,lake interaction. These results suggest that site-specific data may be needed to evaluate local water budget and to protect the water quality and quantity of discharge-dominated lakes. Copyright © 2002 John Wiley & Sons, Ltd. [source] A laser flash photolysis/IR diode laser absorption study of the reaction of chlorine atoms with selected alkanesINTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 2 2002Hai-Bo Qian A high-resolution IR diode laser in conjunction with a Herriot multiple reflection flow-cell has been used to directly determine the rate coefficients for simple alkanes with Cl atoms at room temperature (298 K). The following results were obtained: k(Cl + n-butane) = (1.91 ± 0.10) × 10,10 cm3 molecule,1 s,1, k(Cl + n -pentane) = (2.46 ± 0.12) × 10,10 cm3 molecule,1 s,1, k(Cl + iso-pentane) = (1.94 ± 0.10) × 10,10 cm3 molecule,1 s,1, k(Cl + neopentane) = (1.01 ± 0.05) × 10,10 cm3 molecule,1 s,1, k(Cl + n -hexane) = (3.44 ± 0.17) × 10,10 cm3 molecule,1 s,1 where the error limits are ±1,. These values have been used in conjunction with our own previous measurements on Cl + ethane and literature values on Cl + propane and Cl + iso-butane to generate a structure activity relationship (SAR) for Cl atom abstraction reactions based on direct measurements. The resulting best fit parameters are kp = (2.61 ± 0.12) × 10,11 cm3 molecule,1 s,1, ks = (8.40 ± 0.60) × 10,11 cm3 molecule,1 s,1, kt = (5.90 ± 0.30) × 10,11 cm3 molecule,1 s,1, with f( CH2) = f ( CH2) = f (C) = f = 0.85 ± 0.06. Tests were carried out to investigate the potential interference from production of excited state HCl(v = 1) in the Cl + alkane reactions. There is some evidence for HCl(v = 1) production in the reaction of Cl with shape n -hexane. © 2001 John Wiley & Sons, Inc. Int J Chem Kinet 34: 86,94, 2002 [source] Kinetics and products of the reactions of selected diols with the OH radicalINTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 5 2001Heidi L. Bethel Using a relative rate method, rate constants have been measured at 296 ± 2 K for the gas-phase reactions of OH radicals with 1,2-butanediol, 2,3-butanediol, 1,3-butanediol, and 2-methyl-2,4-pentanediol, with rate constants (in units of 10,12 cm3 molecule,1 s,1) of 27.0 ± 5.6, 23.6 ± 6.3, 33.2 ± 6.8, and 27.7 ± 6.1, respectively, where the error limits include the estimated overall uncertainty of ±20% in the rate constant for the reference compound. Gas chromatographic analyses showed the formation of 1-hydroxy-2-butanone from 1,2-butanediol, 3-hydroxy-2-butanone from 2,3-butanediol, 1-hydroxy-3-butanone from 1,3-butanediol, and 4-hydroxy-4-methyl-2-pentanone from 2-methyl-2,4-pentanediol, with formation yields of 0.66 ± 0.11, 0.89 ± 0.09, 0.50 ± 0.09, and 0.47 ± 0.09, respectively, where the indicated errors are the estimated overall uncertainties. Pathways for the formation of these products are presented, together with a comparison of the measured and estimated rate constants and product yields. © 2001 John Wiley & Sons, Inc. Int J Chem Kinet 33: 310,316, 2001 [source] Missing data estimation for 1,6,h gaps in energy use and weather data using different statistical methodsINTERNATIONAL JOURNAL OF ENERGY RESEARCH, Issue 13 2006David E. Claridge Abstract Analysing hourly energy use to determine retrofit savings or diagnose system problems frequently requires rehabilitation of short periods of missing data. This paper evaluates four methods for rehabilitating short periods of missing data. Single variable regression, polynomial models, Lagrange interpolation, and linear interpolation models are developed, demonstrated, and used to fill 1,6,h gaps in weather data, heating data and cooling data for commercial buildings. The methodology for comparing the performance of the four different methods for filling data gaps uses 11 1-year data sets to develop different models and fill over 500 000 ,pseudo-gaps' 1,6,h in length for each model. These pseudo-gaps are created within each data set by assuming data is missing, then these gaps are filled and the ,filled' values compared with the measured values. Comparisons are made using four statistical parameters: mean bias error (MBE), root mean square error, sum of the absolute errors, and coefficient of variation of the sum of the absolute errors. Comparison based on frequency within specified error limits is also used. A linear interpolation model or a polynomial model with hour-of-day as the independent variable both fill 1,6 missing hours of cooling data, heating data or weather data, with accuracy clearly superior to the single variable linear regression model and to the Lagrange model. The linear interpolation model is the simplest and most convenient method, and generally showed superior performance to the polynomial model when evaluated using root mean square error, sum of the absolute errors, or frequency of filling within set error limits as criteria. The eighth-order polynomial model using time as the independent variable is a relatively simple, yet powerful approach that provided somewhat superior performance for filling heating data and cooling data if MBE is the criterion as is often the case when evaluating retrofit savings. Likewise, a tenth-order polynomial model provided the best performance when filling dew-point temperature data when MBE is the criterion. It is possible that the results would differ somewhat for other data sets, but the strength of the linear and polynomial models relative to the other models evaluated seems quite robust. Copyright © 2006 John Wiley & Sons, Ltd. [source] A new molecular mechanics force field for the oxidized form of blue copper proteinsJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 7 2002Peter Comba Abstract A molecular mechanics force field for blue copper proteins has been developed, based on a rigid potential energy surface scan of the CuII/His/His/Cys/Met chromophore, using DFT (B3LYP) calculations and the AMBER force field for the protein backbone. The strain,energy-minimized structures of the model chromophore alone are in excellent agreement with the DFT-optimized structure, and those of the entire set of cupredoxins (five structures are considered) are, within the experimental error limits, in good agreement with the single crystal structural data. However, the structural variation in the computed structures is much smaller than those in the experimental structures. It is shown that, due to the large error limits in the experimental data, a validation of the force field with experimental structural data is impossible because, within the error limits, all experimental structures considered are virtually identical. A validation on the basis of spectroscopic data and their correlation with experimental and computed structural data is proposed, and, as a first example, the correlation of intensity ratios of the charge transfer transitions with a specific distortion mode is presented. The quality of the correlation, using the computed structures, is higher than that with the X-ray structures, and this indicates that the computed structures are meaningful. © 2002 Wiley Periodicals, Inc. J Comput Chem 23: 697,705, 2002 [source] | |||||||||||||