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  • modeling
  • Springer  (122)
  • National Academy of Sciences
  • 1995-1999  (111)
  • 1975-1979  (11)
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  • 1
    ISSN: 1572-8102
    Keywords: asynchronous circuits ; (AND and OR) causality ; causal logic nets ; change diagrams ; concurrency ; input-output automata ; modeling ; Petn nets ; signal transition graphs
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science
    Notes: Abstract Asynchronous circuits behave like concurrent programs implemented in hardware logic. The processes in such circuits are synchronised in accordance with the dynamic logical and causal conditions between switching events. The classical paradigm, easily represented in most process-oriented languages for concurrent systems modelling, is AND causality, which is often associated with a rendez-vous synchronisation. In this paper we investigate a different, less known paradigm, called OR causality. This paradigm is however different from the classical MERGE paradigm, which is based on mutually exclusive events. Petri nets and Change Diagrams provide adequate modelling and circuit synthesis tools for the various OR causality types, yet they do not always bring the specifier to a unique decision about which modelling construct must be used for which type. We present a unified descriptive tool, called Causal Logic Net, which is graphically based on Petri net but has an explicit logic causality annotation for transitions. It is aimed as the least possible generalisation of Petri nets and Change Diagrams. The signal-transition interpretation of this tool is analogous to, but more powerful than, the well-known Signal Transition Graph. A number of examples demonstrate the usefulness of this model in the synthesis of asynchronous control circuits. It is shown that the extension of the basic, unconditional, firing rule with the one that depends upon the marking of the transition preconditions increases the descriptive power of the model to that of the Turing Machine model and allows the modelling of non-commutative state transition behaviour in a purely causal form.
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  • 2
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    Acta biotheoretica 28 (1979), S. 48-53 
    ISSN: 1572-8358
    Keywords: Neuroendocrine system ; functional morphology ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract A new approach to the analysis of the neuroendocrine system (NES) is suggested. It is based on the fact of structural and metabolic determination of any effect on cell and cell aggregates. The principle of a common communication channel in the NES is formulated and a possible method of its formalization is proposed.
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  • 3
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    Journal of intelligent manufacturing 10 (1999), S. 323-329 
    ISSN: 1572-8145
    Keywords: Computer-aided design ; rapid prototyping ; modeling ; simulation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract The direct slicing of CAD models created in CADDS V to generate geometric data for rapid prototyping using fused feposition modeling technique (FDM) is presented in this paper. The report file from an explicit model is accessed for obtaining model data. Algorithms have been developed for determining the volumes of model material as well as support materials. New algorithms have been developed for filling the sheet solid. A simulation module has been developed to verify whether the filling is correctly done. Example of a model is manufactured using this approach is also presented in this paper.
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  • 4
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    Adsorption 1 (1995), S. 213-231 
    ISSN: 1572-8757
    Keywords: adsorptive separation ; thermal parametric pumping ; modeling ; simulation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Physics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Abstract A detailed model for the recuperative parametric pumping is presented. The model includes intraparticle mass transfer resistance, axial diffusion and non-linear equilibrium represented by Langmuir equation. The sensitivity studies shows that process performance strongly increases when cycle time increases and φ B /φ T ratio and particle size decreases. It also shows that bottom and top dead volumes do not influence much the process performance. Evolution of the histories of concentrations and temperatures, the bed performance from cycle to cycle and the bed dynamics at the cyclic steady state have been discussed. The model revealed itself as useful to simulate the behavior of the recuperative parametric pumping process and was applied to predict optimal experimental results for the system phenol-water/Duolite ES-861 (Part II).
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  • 5
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    Adsorption 4 (1998), S. 25-33 
    ISSN: 1572-8757
    Keywords: hydrophobic zeolites ; breakthrough curves ; adsorption ; binary mixtures ; modeling ; overall mass transfer ; roll-up
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Physics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Abstract Breakthrough curve measurements of SO2 and water vapor were carried out on a number of selected mordenite and pentasil zeolites from their binary and ternary mixtures with CO2 at 50 and 100°C. SO2 capacities of these samples were found to be significantly reduced by the presence of water. Competitive adsorption led to unusually high overshoot peaks of SO2 breakthrough curves. On the other hand, SO2 was found to displace water on the samples with very high silica to alumina ratio. A linear driving force, isothermal model was used to predict the breakthrough curves. Langmuir and extended Langmuir equilibrium models were used to describe the equilibrium properties of water and SO2, respectively. The overall mass transfer resistance obtained from the model was compared to the values calculated from a simplified biporous adsorbent model to shed some light on the adsorption kinetics.
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  • 6
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    Annals of operations research 74 (1997), S. 321-332 
    ISSN: 1572-9338
    Keywords: simulation ; modeling ; aerospace ; air route structure ; free flight ; clustering
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mathematics , Economics
    Notes: Abstract Recent work performed for the Federal Aviation Administration to support the development of future concepts of air traffic management has involved simulation modeling of patterns of airspace usage by commercial and business air traffic. The objective of these efforts has been to investigate the impacts of a pattern of airspace usage known as "free flight", whereby pilots and flight dispatchers have much more freedom to choose, say, direct or wind-optimal routing through airspace. One of the figures of merit investigated is a count of "convergence pairs" as a measure of the complexity of various traffic patterns. These are cases when aircraft in the simulation model fly close to each other. Interestingly, geographic plots of convergence pairs accumulated over time bring out certain features or patterns of congested air traffic flows or flight alignments. However, these plots are also thick with "noise" or extraneous convergence pairs, whose presence detracts from the ability to perceive congested air traffic flows. Cluster analysis has been found to be an effective method of filtering these displays so that the congested flow features are discernible. The process developed for this purpose is based on a two-pass clustering approach. The process has worked well for the simulation modeling performed to date. Classification of the locations of convergence pairs into congested flow corridors is visually appealing, and has helped distinguish differences in contrasting scenarios of airspace usage. The paper presents graphical results and describes the clustering algorithms employed.
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  • 7
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    International journal of flexible manufacturing systems 7 (1995), S. 339-360 
    ISSN: 1572-9370
    Keywords: Petri net ; FMS ; modeling ; simulation ; tool ; analysis ; animation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract We propose a CAD tool, XPN-FMS, which is primarily based on a unique Petri net (PN) synthesis method, called the knitting technique, developed by the authors. Petri net theory has been applied to specification, validation, performance analysis, control code generation, and simulation for manufacturing systems. The analysis of flexible manufacturing systems (FMSs) based on PNs suffers from the complexity problem of reachability analysis (Peterson, 1981). CAD tools are urgently needed. There is no existing CAD tool for FMSs as comprehensive as XPN-FMS, in the sense that the latter integrates the functions of drawing, analysis, reduction (Chao and Wang, 1992; Murata and Koh, 1980), synthesis, property queries, and animation of FMS operations in one software package. Using the X window graphical interface and animation, XPN-FMS makes the modeling and analysis of an FMS visualizable and easy to understand and manipulate. It lets a user draw the factory layout of an FMS on the screen of a monitor using the supplied tools. A corresponding PN model can also be drawn on the monitor screen. XPN-FMS can animate and simulate the overall operating process of the FMS. It is useful for FMS specification, validation, and exploration of different design alternatives, status monitoring, and control. Using XPN-FMS with various inputs and comparing the resulting outputs, the user can determine how to improve efficiency, reduce cost, and pinpoint bottlenecks. For the PN models of FMSs that are decision free, we extend the theory and algorithm of a unique matrix-based method (Chao and Wang, 1993b) to search for subcritical loops (including types A and B) and to support scheduling and dealing with transition periods. XPN-FMS implements this extended method to find the minimum cycle time, critical loop, subcritical loops, next critical loop, and scheduling ranges to avoid the transient period for static scheduling. This is implemented in XPN-FMS for the input sequence control.
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  • 8
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    Adsorption 4 (1998), S. 361-372 
    ISSN: 1572-8757
    Keywords: dyestuffs ; modeling ; HSDM ; equilibeium ; film diffusion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Physics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Abstract A homogeneous solid phase diffusion model (HSDM) has been developed using a computer to predict the performance of a batch adsorber. The computer program utilises a semi-analytical solution for a two resistance model based on external mass transfer and homogeneous solid phase diffusion. The model has been successfully applied to four adsorption systems, namely, the adsorption of AB25, AR114, BB69 and BR22 onto pith. The method produces excellent correlations between experimental and theoretical concentration decay curves in batch adsorbers. The model developed presents a solution using a single solid diffusion coefficient and a single external mass transfer coefficient which are sufficient to characterise the system within a range of initial dye concentration, 25–300 mg · dm3 and solid/liquid ratios (w/v) 0.25–2.
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  • 9
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    Catalysis letters 61 (1999), S. 15-25 
    ISSN: 1572-879X
    Keywords: oxygen‐free methane conversion ; platinum ; carbon layer ; catalysis ; hydrocarbon surface kinetics ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract In many metal‐catalyzed conversion processes of hydrocarbons at atmospheric pressure a carbonaceous overlayer quickly builds up at the catalyst covering nearly the whole surface. However, the metal still remains catalytically active. Several models have been proposed over the years to explain the crucial role of the carbonaceous overlayer during the conversion of hydrocarbons. The model presented here contemplates adsorbate effects, which means that surface carbon modifies the dehydrogenation activity of Pt. A hydrocarbon reaction mechanism on platinum, including C1 and C2 species, is established. The mechanism is based on elementary reactions offering the opportunity of using the same mechanism for a wide range of applications. It is also applied to extended simulations of higher pressures and smaller flow velocities revealing increased C2H6 yields under these conditions.
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  • 10
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    Computers and the humanities 33 (1999), S. 319-344 
    ISSN: 1572-8412
    Keywords: AEDI ; AI-Strata ; indexing ; modeling ; scholarly use of audio-visual documents ; standardization
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Media Resources and Communication Sciences, Journalism
    Notes: Abstract The digitization of library documents and archives increasingly extends to audiovisual (AV) document repositories. As a consequence, new computer-aided techniques are being devised, providing opportunities for new uses of AV documents. As scholars work mainly by reading, annotating, reusing, and producing documents they are directly concerned by these changes. The first part of this article describes AV document use in the humanities, as well as the current and future influence computers might have on evolving practices. After establishing that “full-indexing” (indexing of the content for random access to any segment of an AV document) is a necessary condition if scholars are to develop new practices in using AV material, we will focus on the specific problems raised by AV indexing as opposed to text indexing, followed by a discussion of related AV indexing projects as well as standardization issues. The third part will propose a representation model for the description of AV material (AI-Strata) and an exchange format of AV annotations (AEDI), based on a free segmentation approach. An example of annotation is also provided. The last part is devoted to a discussion regarding potential long-term influences of digital AV indexing techniques on scholarly uses of AV documents.
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  • 11
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    Journal of marine science and technology 1 (1996), S. 75-84 
    ISSN: 1437-8213
    Keywords: monitoring ; modeling ; environmental preservation ; navigation ; nazardous spills ; tidal prediction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Technology
    Notes: Abstract The improved monitoring and modeling capability resulting from recent technological advances in oceanographic sensors, computer processing power, and telecommunications can play a major role in environmental preservation. In particular, this capability can help improve: safe navigation and thus the prevention of maritime accidents that lead to hazardous spills; the effective cleanup of hazardous spills when they do occur; the real-time assessment of water quality problems; the assessment of long-term trends and variability due to both anthropogenic and climate change effects; and the understanding of key physical, chemical, and ecological processes.
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  • 12
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    Nutrient cycling in agroecosystems 55 (1999), S. 133-157 
    ISSN: 1573-0867
    Keywords: nitrous oxide ; soil solution ; soil air ; solubility ; nitrogen balance ; modeling ; leaching
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract In this review, which consists of two parts, major interactions between nitrous oxide (N2〉O) and soil solution are described. In the first part, as an introduction, concentrations of dissolved N2〉O in different aqueous systems are summarized. An inventory of data on maximal N2〉O concentrations in soil solution (up to 9984 μg N2〉O-N l−1〉) and in soil air (up to 8300 ppm) from literature is presented. The peak N2〉O concentrations represent a N2〉O supersaturation in the soil solution up to 30000 times with respect to ambient air and a soil air N2〉O concentration about 25000 times higher than in the atmosphere. The main physico–chemical parameters (solubility, diffusion) controlling N2〉O distribution between soil solution and soil air are outlined. The influences of cultivation practice, nitrogen turnover, water content and temperature on N2〉O a ccumulation in soil solution and soil air are reviewed. In the second part some models of N2〉O dynamics in soils are discussed with emphasis on N2〉O transport processes. A simple qualitative scheme is developed to categorize the effects of the soil solution on N2〉O dynamics in soils. In this scheme the temporary, intensive N2〉O oversaturation of the soil solution is interpreted as a result of gas diffusion inhibition by water (barrier function of soil solution) resulting in an accumulation of N2〉O. In addition, N2〉O supersaturation is an indication that transitory much N2〉O can be stored in the soil solution (storage function of soil solution). Where the soil solution flows up-, down- or sidewards it can act as a relevant transport medium for dissolved N2〉O (transport function of soil solution). This scheme is applied to examples from the literature.
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  • 13
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    Nutrient cycling in agroecosystems 49 (1997), S. 287-293 
    ISSN: 1573-0867
    Keywords: carbon cycling ; carbon dioxide sequestration ; carbon sink ; modeling ; terrestrialecosystem
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Major conclusions from our two projects focussing on carbon cycling in terrestrial ecosystems are as follows: 1) A rural system or a farmland system tends to be a source of carbon dioxide. However, it was possible to increase carbon dioxide sequestration in soil by changing soil or paddy/upland-field management systems. 2) A model simulation showed that a carbon budget in a natural forest was balanced before cutting but the large minus (source) was observed just after cutting. But the balance changed from minus to plus (sink) in 10 years after cutting. Nearly the same amounts of carbon as that stocked in the timbers before harvesting accumulated in 70-80 years after the cutting. 3) These results indicate the possibility of soils in terrestrial ecosystems as the major sink of atmospheric carbon dioxide.
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  • 14
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    Surveys in geophysics 18 (1997), S. 477-510 
    ISSN: 1573-0956
    Keywords: electromagnetic ; modeling ; inversion ; imaging ; transient electromagnetic method
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The process of interpretation of electromagnetic data has many facets of which fast approximate interpretation techniques is an intriguing one. A new variant of the Born approximation – the Adaptive Born approximation – is presented and exemplified through 1D and 2D imaging techniques for transient electromagnetic data. The Adaptive Born approximation is generally applicable in approximate inversion schemes for inductive electromagnetic data as a one-pass imaging algorithm. Though it is as simple to use as the ordinary Born approximation, it offers a more accurate inverse mapping. In the first part of this paper an attempt will be made to give an overview of fundamental concepts in electromagnetic subsurface imaging relevant for approximate inverse mappings and to outline major trends in present day modeling and inversion of electromagnetic data. This is of course an impossible task – certainly for this author – and much important work will not be mentioned in the limited space of the following. My apologies to the people who are not mentioned and whose research is not given credit here though it should have been. Naturally, my choice of references reflects the “schools” and circles I have been subjected to, but I hope that the list of references to developments in electromagnetic methods will point to papers of importance and thereby to other references for the interested reader.
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  • 15
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    Biodegradation 8 (1997), S. 287-296 
    ISSN: 1572-9729
    Keywords: asphaltene ; bioavailability ; biodegradation ; crude oil ; diffusivity ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Energy, Environment Protection, Nuclear Power Engineering , Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Crude oil is a complex mixture ofseveral different structural classes of compoundsincluding alkanes, aromatics, heterocyclic polarcompounds, and asphaltenes. The rate and extent ofmicrobial degradation of crude oil depends on theinteraction between the physical and biochemicalproperties of the biodegradable compounds and theirinteractions with the non-biodegradable fraction. Inthis study we have systematically altered theconcentration of non-biodegradable material in thecrude oil and analyzed its impact on transport of thebiodegradable components of crude oil to themicroorganisms. We have also developed a mathematicalmodel that explains and accounts for the dependence ofbiodegradation of crude oil through a putativebioavailability parameter. Experimental resultsindicate that as the asphaltene concentration in oilincreases, the maximum oxygen uptake in respirometersdecreases. The mathematically fitted bioavailabilityparameter of degradable components of oil alsodecreases as the asphaltene concentration increases.
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  • 16
    ISSN: 1572-9761
    Keywords: forest productivity ; NPP ; runoff ; climate ; nitrogen ; northeastern U.S. ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract We used the PnET-II model of forest carbon and water balances to estimate regional forest productivity and runoff for the northeastern United States. The model was run at 30 arc sec resolution (approximately 1 km) in conjunction with a Geographic Information System that contained monthly climate data and a satellite-derived land cover map. Predicted net primary production (NPP) ranged from 700 to 1450 g m2 yr1 with a regional mean of 1084 g m2 yr1. Validation at a number of locations within the region showed close agreement between predicted and observed values. Disagreement at two sites was proportional to differences between measured foliar N concentrations and values used in the model. Predicted runoff ranged from 24 to 150 cm yr1with a regional mean of 63 cm yr1. Predictions agreed well with observed values from U.S. Geologic Survey watersheds across the region although there was a slight bias towards overprediction at high elevations and underprediction at lower elevations. Spatial patterns in NPP followed patterns of precipitation and growing degree days, depending on the degree of predicted water versus energy limitation within each forest type. Randomized sensitivity analyses indicated that NPP within hardwood and pine forests was limited by variables controlling water availability (precipitation and soil water holding capacity) to a greater extent than foliar nitrogen, suggesting greater limitations by water than nitrogen for these forest types. In contrast, spruce-fir NPP was not sensitive to water availability and was highly sensitivity to foliar N, indicating greater limitation by available nitrogen. Although more work is needed to fully understand the relative importance of water versus nitrogen limitation in northeastern forests, these results suggests that spatial patterns of NPP for hardwoods and pines can be largely captured using currently available data sets, while substantial uncertainties exist for spruce-fir.
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  • 17
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    Integrated pest management reviews 4 (1999), S. 127-143 
    ISSN: 1572-9745
    Keywords: wheat ; stored-grain ; integrated pest management ; aeration ; biological control ; grain sampling ; insect monitoring ; modeling ; area-wide IPM
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Management of stored-grain insect pests by farmers or elevator managers should be based upon a knowledge of the grain storage environment and the ecology of insect pests. Grain storage facilities and practices, geographical location, government policies, and marketing demands for grain quality are discussed as factors influencing stored-grain insect pest management decisions in the United States. Typical practices include a small number of grain samples designed to provide grain quality information for segregation, blending and marketing. This low sampling rate results in subjective evaluation and inconsistent penalties for insect-related quality factors. Information on the efficacy of insect pest management practices in the United States, mainly for farm-stored wheat, is discussed, and stored-grain integrated pest management (IPM) is compared to field-crop IPM. The transition from traditional stored-grain insect pest control to IPM will require greater emphasis on sampling to estimate insect densities, the development of sound economic thresholds and decision-making strategies, more selective use of pesticides, and greater use of nonchemical methods such as aeration. New developments in insect monitoring, predictive computer models, grain cooling by aeration, biological control, and fumigation are reviewed, their potential for improving insect pest management is discussed, and future research needs are examined.
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  • 18
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    Journal of intelligent and robotic systems 17 (1996), S. 309-325 
    ISSN: 1573-0409
    Keywords: modeling ; camera ; CCD ; subpixel ; simulation ; vision ; image ; diffusion ; CAD ; CIM ; bias
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract In this paper we propose a modeling of an acquisition line made up of a CCD camera, a lens and a frame grabber card. The purpose of this modeling is to simulate the acquisition process in order to obtain images of virtual objects. The response time has to be short enough to permit interactive simulation. All the stages are modelised: in the first phase, we present a geometric model which supplies a point to point transformation that provides, for a space point in the camera field, the corresponding point on the plane of the CCD sensor. The second phase consists of modeling the discrete space which implies passing from the continous known object view to a discrete image, in accordance with the different orgin of the contrast loss. In the third phase, the video signal is reconstituted in order to be sampled by the frame grabber card. The practical results are close to reality when compared to image processing. This tool makes it possible to obtain a short computation time simulation of a vision sensor. This enables interactivity either with the user or with software for the design/simulation of an industrial workshop equipped with a vision system. It makes testing possible and validates the choice of sensor placement and image processing and analysis. Thanks to this simulation tool, we can control perfectly the position of the object image placed under the camera and in this way, we can characterise the performance of subpixel accuracy determining methods for object positioning.
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  • 19
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    Informatik-Spektrum 19 (1996), S. 71-78 
    ISSN: 1432-122X
    Keywords: Schlüsselwörter  Software-Engineering ; IS-Forschung ; Forschungs-Prototypen ; professionelle Softwareentwicklung ; Modellierung ; Key words  software engineering ; IS research ; research prototypes ; professional software development ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science
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  • 20
    ISSN: 1432-1009
    Keywords: Wildlife management ; Elk ; Abis amabilis ; Forest management ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract Effects of different forest management policies on long-term vegetation development are incorporated into a computer simulation of a western Washington watershed. The response of a Rocky Mountain elk(Cervus canadensis nelsoni) population to these vegetation changes is simulated using information on their differential use of vegetation types. Simulations include: 1) a cessation of timber harvesting leading to an immediate decline in elk members resulting from a reduction in summer habitats; 2) a stable elk population, similar to the present one, resulting from a constant timber harvesting rate, and 3) initial increases in herd size, followed within 50 years by a sharp decrease, resulting from cutting all old growth timber within the next decade and then a cessation of timber harvestings.
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  • 21
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    Archives of microbiology 166 (1996), S. 116-121 
    ISSN: 1432-072X
    Keywords: Key wordsStreptococcus equisimilis ; skc gene ; DNA ; bending ; Circular permutation analysis ; Computer ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract DNA sequences upstream of the core promoter region of the streptokinase gene (skc) from Streptococcus equisimilis H46A increase skc transcription more than tenfold in vivo. This promoter upstream region contains a segment of intrinsically bent DNA, the precise location of which was determined experimentally by circular permutation analysis and theoretically by computer prediction. Electrophoretic analysis of circularly permuted upstream DNA fragments placed the bend center approximately at position –100 with respect to the major transcription initiation site of skc. This position was in excellent agreement with the center of maximum curvature predicted theoretically. Knowledge of the precise location of the bend center will be useful for future studies of the possible effect of DNA bending on skc transcription.
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  • 22
    ISSN: 1572-8943
    Keywords: modeling ; solution ; system YBaCuO ; thermodynamic properties
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The thermochemical properties of Cu2O3 were calculated. The stability of Cu2O3 was studied with the help of TM methods. It was shown that this oxide can exist in oxygen atmosphere (P=105 Pa) at temperatures below 380 K. A variant of the ISIP model was used with TM to determine the Cu+, Cu2+ and Cu3+ contents and oxygen indexes in YBa2Cu3Ox (123-Ox), YBa2Cu3.5Oy (123.5-Oy), YBa2Cu4Oz (124-Oz), YBa2Cu5Oq (125-Oq) and YBa2Cu6Om (126-Om) solutions at 100–1200 K in oxygen medium (P=105 Pa). Methods for determination of some thermodynamic properties and oxygen indices are suggested for a superconductor family in the system YBaCuO.
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  • 23
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    Journal of thermal analysis and calorimetry 52 (1998), S. 773-780 
    ISSN: 1572-8943
    Keywords: atomic order ; martensitic transformation ; modeling ; shape memory ; simulation ; time behaviour
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Analysis of the experimental results on Cu-Zn-Al shape memory alloys indicates that the transformation temperatures (for instance, Ms) fluctuate in long-term records. Continuous measurements of electrical resistance R (five significant figures) are made with controlled and programmed temperature (resolution 0.005 K). The experimental analysis suggests a partitioning of resistance into two additive contributions: phonon and order (or R*). The time behaviour of R* represents the dependence of Ms time. The results indicate that the effects of time and temperature in the austenite phase can be represented by two independent differential equations: the long-time fluctuations in the transformation temperature are predictable and the uncertainty reduces to ±0.15 K.
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  • 24
    ISSN: 1572-896X
    Keywords: particle population ; fluid mechanics ; flame synthesized aerosols ; CFD ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics , Technology
    Notes: Abstract The interaction of fluid mechanics and particle dynamics at the very early stages of flame synthesis largely affects the characteristics of the product powder. Detailed simulations provide a better understanding of these processes, which take place in a few milliseconds, and offer the possibility to influence the product characteristics by intelligent selection of the process parameters. The present paper reports on the simulation of titania powder formation by TiCl4 oxidation in an aerosol flow reactor. A commercially available fluid mechanics code is used for the detailed calculation of the fluid flow and the chemical reaction at non-isothermal conditions. This code is then interfaced with a model for aggregate particle dynamics neglecting the spread of the particle size distribution. The simulation shows the onset of the particle formation in the reactor and calculates the dynamic evolution of the aggregate particle size, number of primary particles per aggregate and the specific surface area throughout the reactor. The presented, newly developed calculation technique allows for the first time the simulation of particle formation processes under the authentic, complex conditions as found in actual aerosol reactors.
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  • 25
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    Molecular engineering 5 (1995), S. 271-300 
    ISSN: 1572-8951
    Keywords: Carbohydrate ; lectin ; modeling ; interaction ; force field ; database
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    Topics: Chemistry and Pharmacology
    Notes: Abstract Computer modeling has become a valuable component of studies of carbohydrate three-dimensional structures and their relationship to function and properties. In this paper we examine the methods required for conformational modeling of carbohydrates, and we present a series of tools that have been developed to this end. These tools can be integrated into three-dimensional real-time molecular modeling software. A data base of pre-optimized carbohydrate fragments has been established to be used further in the construction of much more complex molecules. In addition we describe some possible uses of a data base of three dimensional structures of the disaccharide fragments present in the glycan moiety ofN-glycoprotein. A molecular mechanical force field appropriate for the conformational analysis of oligosaccharides has been derived by the addition of new parameters to the Tripos force field and is compatible with protein simulations. The new parametrization has been assessed in three stages of increasing complexity: computations of potential energy surfaces, conformational refinement of relevant oligosaccharides, modeling at the atomic level of a protein/carbohydrate complex.
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    Plasma chemistry and plasma processing 16 (1996), S. 173-185 
    ISSN: 1572-8986
    Keywords: Diamond synthesis ; atomic hydrogen ; modeling ; mass spectrometry ; pulsed rf discharge
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract The chemistry of hydrogen-rich hydrocarbon-hydrogen mixtures is of primary interest for the understanding of the low-pressure synthesis of diamond. We per formed experiments under well-defined conditions like temperature, pressure, initial gas composition, etc. The gas composition at the end of a flow reactor was analyzed by a calibrated mass spectrometer and compared to results obtained from the Chemkin computer code. Residence thne in the reactor as well as other process parameters were similar to those of diamond-growing PA CVD processes performed earlier with the same experimental set-rip. Modeling and experiment under isothermal conditions show quantitative agreement. We realized time-resolved mass .spectrometry by means of a helium-flushed gas sampling probe. There is evidence that the commonly used reaction kinetic data for the dissociation C2H6 (+ M) ⇔ 2CH,(+M) gives 2 too small C2H4 concentrations for hydrogen-rich conditions. This could be attributed to the poorly known third-body efficiencies of the H2 molecules compared to Ar or C2H6 from which kinetic data are commonly derived.
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    Plasma chemistry and plasma processing 17 (1997), S. 409-432 
    ISSN: 1572-8986
    Keywords: Plasma torch ; modeling ; laminar and turbulent flow
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    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract A mathematical 2D representation is developed describing the temperature and the velocity profiles in a DC plasma torch and in the resulting plume. It is based on the resolution of conservation equations using the Simple method after Patankar. In the first part, we illustrate the effects of the turbulence, using, on the one hand, two Prandtl's mixing length models and, on the other hand, a standard k – ε model. We also show the influence of physical parameters like the inlet mass flow rate, the current intensity, and the kind of gas (argon or air) on the characteristics of the plasma. The second part of this study presents a comparison of the model with experimental results encountered in the literature. The profiles obtained at the exit of the torch are compared to the mathematical formulation used as boundary condition by the models taking into account only the plasma jet.
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    Plasma chemistry and plasma processing 17 (1997), S. 433-452 
    ISSN: 1572-8986
    Keywords: Laser Doppler anemometry ; fluidized plasma bed ; particles velocity distribution ; modeling
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    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract Laser Doppler anemometry (L.D.A.) is an efficient and nonintrusive technique. Today, improved in its configuration, the L.D.A. has been applied even in flowing plasmas. (1,2) In-flight simultaneous measurements were performed for local density and velocity of particle distribution. The measurements provide an insight into thermal and mass transfer, chemical reactivity, and the distribution of residence times of particles in a plasma fluidized bed. The difficulties of L.D.A. in a plasma fludized bed such as high emission intensity of the plasma torch, high temperature, high particle density, and large distribution of particle granulometry were overcomed in the present investigation. The aims achieved were the characterization of the plasma fluidized bed distribution together with accurate measurements of local particle density and velocity as measured by L.D.A.
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    Plasma chemistry and plasma processing 18 (1998), S. 73-89 
    ISSN: 1572-8986
    Keywords: Thermal plasma ; CVD ; modeling ; liquid precursor ; diamond
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    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract In this paper, a comprehensive model for thermal plasma chemical vapor deposition (TPCVD) with liquid feedstock injection is documented. The gas flow is assumed to be steady, of a single temperature. Radiation and charged species contributions are excluded, but extensive homogeneous and heterogeneous chemistry is included. The liquid phase is traced by considering individual droplets. Discussion on the model's application to diamond production from acetone in a hydrogen–argon plasma is included. The major conclusions are: (1) Liquid injection possesses a capability to deliver the hydrocarbon precursor directly onto the deposition target. (2) For the case of complete evaporation of the droplet before reaching the substrate, the deposition rate is similar to that obtained with gaseous precursors. (3) The computational results compare well with experimental data. The modeling results can be used to optimize the injection parameters with regard to the deposition rate.
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    Plasma chemistry and plasma processing 18 (1998), S. 189-214 
    ISSN: 1572-8986
    Keywords: Remote PECVD ; silicon dioxide ; modeling ; deposition rate
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    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract Plasma-enhanced chemical vapor deposition has become one of the most important thin film deposition technologies. To avoid direct plasma exposure the substrates may be placed in the remote region. A carrier gas conveys the plasma energy to the deposition area where the reactions with the monomer molecules take place. For the engineering of such a process the modeling of the achievable deposition rate is of great interest. Among different possibilities semiempirical models provide a fast and easily utilizable tool without intensive computer simulations or the necessity of detailed knowledge about the chemistry involved. From deposition experiments with oxygen and an organosilicon monomer (hexamethyldisiloxane, HMDSO) the remote composite parameter is suggested. It combines microwave power, monomer and carrier gas flow rate, and the distance of the substrate from the plasma source. This parameter was derived from the ratio between atomic oxygen and monomer flow rate. In the parameter range considered the deposition rate is described as well ordered and the energy- and monomer-deficient regions are clearly separated.
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    Plasma chemistry and plasma processing 18 (1998), S. 285-303 
    ISSN: 1572-8986
    Keywords: Fullerenes ; carbon arc ; plasma process ; modeling
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    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract A mathematical model of the carbon arc process for the synthesis of fullerenes (C 60 , C 70 ) is developed. The two-dimensional model solves for the velocities, temperature, and total concentration of carbon species. The net emission coefficient method is used for the radiation term. The carbon species conservation equations consider the evaporation of carbon from the anode, cathode surface deposition, and carbon condensation. The thermodynamic and transport properties are calculated as a function of temperature and carbon mass fraction, using the method of Chapman–Enskog. Erosion rates used by the model are determined experimentally. Calculated fields of the velocities, temperatures, carbon mass fraction and current intensity are presented. Comparison is made of the behavior of the arc at 1 and 4 mm interelectrode gaps, and between operation in argon and in helium. The results of simulations provide a justification for the higher yields observed in helium compared to the argon case.
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    Plasma chemistry and plasma processing 18 (1998), S. 325-362 
    ISSN: 1572-8986
    Keywords: Microwave plasma ; diamond deposition ; modeling
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    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract One-dimensional transport models of moderate-pressure H 2 and H 2 /CH 4 plasmas obtained in a diamond deposition microwave reactor are presented. These models describe the plasma as a thermochemically nonequilibrium flow with three different energy modes. The solution of the one-dimensional plasma transport equations enabled the estimation of plasma species concentrations and temperatures on the axis of the reactor. As far as pure H 2 plasmas are concerned, results showed that the model predictions of gas and vibration temperatures are in good agreement with experimental measurements. The model also yields a relatively good qualitative prediction of the variations of H-atom mole fraction with the power density absorbed by the plasma. The results obtained for H 2 /CH 4 discharges showed that the model prediction on the variations of H-atom mole fraction with methane percentage in the discharge is in good qualitative agreement with experimental results. They also showed that methane is rapidly converted to acetylene before reaching the discharge zone. The concentrations of neutral hydrocarbon species in the reactor are mainly governed by thermal chemistry. The addition of methane strongly affects the ionization kinetics of the plasma. Three major ions are generally obtained in H 2 /CH 4 plasmas: C 2 H 2 + , C 2 H 3 + , and C 2 H 5 + . The relative predominance of these ions depends on the considered plasma region and on the discharge conditions. The ionic species concentrations are also mainly governed by chemistry, except very near the substrate surface. Finally the use of this transport model along with the surface chemistry model of Goodwin (1) enabled us to estimate the diamond growth rate for several discharge conditions.
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    Plasma chemistry and plasma processing 18 (1998), S. 429-446 
    ISSN: 1572-8986
    Keywords: Pulsed microwave discharge ; plasma ignition ; Ar/CF4 mixture ; plasma processing ; etching ; chemical kinetics ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract The present work deals with a pulsed microwave discharge in an Ar/CF 4 gas mixture under a low pressure (1–10 mbar). The discharge chamber developed has a cylindrical geometry with a coupling window alternatively made of quartz or alumina. The setup allows one to investigate the plasma–wall interactions (here etching of the quartz window) and the ignition process of the pulsed microwave plasma. Microwave pulses with a duration of 50–200 μs and repetition rate between 1 and 10 kHz are typical for the experiments. The space-time behavior of the fluorine number density in the discharge has been investigated experimentally by optical actinometry. The discharge kinetics is modeled using electron-transport parameters and rate coefficients derived from solutions of the Boltzmann equation. Together with the solution of the continuity and electron balance equations and the rate equations describing the production of CF x (x=2, 3, 4) radicals and F atoms, a good agreement between experimental and theoretical data can be achieved.
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    Plasma chemistry and plasma processing 19 (1999), S. 341-362 
    ISSN: 1572-8986
    Keywords: Thermal rf plasma ; modeling ; spectroscopy ; plasma flash evaporation
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    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract The evaporation process of zirconia powders injected in a thermal rf plasma is investigated. Both model calculations and optical emission spectroscopy are used to study the evaporation behavior. Gas temperatures and velocity distributions are determined numerically from conservation laws and Maxwell equations. The influence of plasma and particle parameters on the thermal history of entrained particles is discussed. Asymmetric Abel inversion is applied to detect asymmetric emission profiles in the plasma source. Spectroscopic measurements reveal that evaporated zirconium is concentrated near the axis of the plasma. Numerical calculations show that line-integrated emission profiles can be used to distinguish the cases of complete and incomplete evaporation. Axial emission profiles confirm that the evaporation zone is shifted upstream of the plasma when smaller precursor particles are used.
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    Plasma chemistry and plasma processing 19 (1999), S. 467-486 
    ISSN: 1572-8986
    Keywords: He-plasma ; excitation spectra ; modeling ; comparison with experiments
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    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract A collisional-radiative model was used to study the kinetics of an atmospheric pressure helium discharge. The electron kinetics was obtained from a two-term solution of the Boltzmann equation with electron–electron collisions included. The distribution of the helium electronic excited states was compared to measured values and used to calculate excitation temperatures. The results show that a unique value of the excitation temperature cannot be used to characterize the whole electronic states distribution, because the plasma is not in local thermodynamical equilibrium under the conditions considered. Other calculated discharge parameters, such as the electron temperature, the maintenance electric field, the density of metastable atoms in the 2 3 S state, and the ion densities are presented and compared to experimental data when available.
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    Plasma chemistry and plasma processing 19 (1999), S. 445-466 
    ISSN: 1572-8986
    Keywords: Dielectric barrier discharge ; CARS on N2 and NO ; NO reduction ; chemical and vibrational kinetics ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Technology
    Notes: Abstract Dielectric barrier discharges (DBD) with planar- and knife-shaped electrodes are operated in N2O2NO mixtures under a pressure of 20 and 98 kPa. They are excited by means of consecutive unipolar or bipolar high-voltage pulse packages of 10 kV at a pulse repetition rate of 1 and 2 kHz. The rotational and vibrational excitation of N 2 molecules and the reduction of nitric oxide (NO) in the discharge have been investigated using coherent anti-Stokes Raman scattering (CARS) technique. Rotational (gas) temperatures near the room temperature and vibrational temperatures of about 800 K at atmospheric pressure and 1400 K at a pressure of 20 kPa are observed. Therefore, chemical reactions of NO with vibrationally excited N 2 are probably insignificant. One-dimensional kinetic models are developed that balance 35 chemical reactions between 10 species and deliver equations for the population density of excited vibrational levels of N 2 together with a solution of the Boltzmann equation for the electrons. A good agreement between measured vibrational temperatures of N 2 , the concentration of NO, and calculated data is achieved. Modeling of the plasma discharge verifies that a DBD operated with a N2NO mixture reduces the NO content, the simultaneous presence of O 2 , already 1%, is enough to prevent the NO reduction.
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    Structural chemistry 7 (1996), S. 111-118 
    ISSN: 1572-9001
    Keywords: Dimethylsulfoxide ; protonated dimethylsulfoxide ; self-association ; water-dimethylsulfoxide ; modeling
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    Topics: Chemistry and Pharmacology
    Notes: Abstract Quantum chemical calculations have been carried to gain insight into the self-association of dimethylsulfoxide (DMSO), the interaction of DMSO with a solvent, and the protonation of DMSO. Different species that may be present in DMSO solutions have been modeled semiempirically.
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    Applied composite materials 6 (1999), S. 99-119 
    ISSN: 1573-4897
    Keywords: damage ; modeling ; fiber composites ; crack-density ; strain energy
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    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract A new model for the damage factor in terms of strain energy densities is derived and proposed. The damage factor values can be predicted directly from the stress–strain data using the aforementioned model. Moreover, an expression of crack density ratios in terms of total strain energy densities is inferred. Their validity has been shown by comparing their results with the limited experimental data. The proposed model compares well with the model and the experimental data of Voyiadjis performed on metal-matrix laminates. A new technique, used to predict reasonably the values of crack density ratios at any fiber orientation angle using measured data in the principal material directions, is also developed. Due to difficulties encountered in the evaluation of amount of damage in composite materials up to failure, especially, when using experimental techniques, it was shown that the proposed method for finding the damage factor and crack-density ratios is sufficient and gives reasonable predictions.
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    ISSN: 1573-4889
    Keywords: modeling ; numerical techniques ; finite-difference methods ; diffusion ; moving boundary problem ; steam oxidation ; Zircaloy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract Numerical solutions of the oxygen-diffusion problem arising in the oxidation of metals at high temperatures are complicated by the change in density as the oxide is formed and the occurrence of moving boundaries separating the different phases. The former complication is resolved by a transformation of the dependent variable and the coordinate, which reduces the problem to a form identical to one without density change. The latter complication is dealt with by demonstrating an analogy with the Stefan problem in heat transfer with phase change in the enthalpy formulation, for which abundant numerical works exist. A finite-difference code is written to solve the resulting equations. It is successfully applied to simulate an oxidation experiment of Zircaloy by steam at 1600°C.
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    ISSN: 1573-4897
    Keywords: metal matrix composites ; ceramic matrix composites ; short fibres ; fracture behaviour ; powder metallurgy ; modeling ; multi-scale model
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract An experimental study of the fracture behaviour of metal- and ceramic-based composites containing randomly oriented short fibres, related to fabrication parameters of those composites produced by a powder metallurgy method, yields a suggestion to describe the failure of such composites with a multi-scale model. A most important feature of the failure behaviour is an occurrence of the maximum strength of a composite at rather low values of the fibre volume fraction. A multi-scale model is built of a non-homogeneous body which accounts for changes in the structure of the body during its formation and fracture. Despite the simplicity of the model it supplies an adequate description of the macroscopic behaviour of composites. In particular, the non-monotonic relationships between the composite strength and the fabrication parameters can be understood, and therefore the possibility to optimize a composite fabrication process becomes visible. The micro-level of the model is related to the fibre/matrix interactions in a composite. The meso-level of the model describes both formation of a structure on the many-fibres agglomerate scale when obtaining a composite body and its fracture on loading of the body.
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    Climatic change 40 (1998), S. 211-227 
    ISSN: 1573-1480
    Keywords: wetlands ; hydrology ; modeling ; piezocone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Prediction of the effects of external influences such as climate change on wetland systems requires the prediction of hydrologic effects. Because wetland soils are typically heterogeneous, it is particularly important to understand the extent and connectedness of hydraulically conductive soil units, since water flow may be concentrated in such units while bypassing others of lower conductivity. However, subsurface hydrologic models typically do not represent heterogeneity adequately, being limited by sparse parameterization of soil properties. Conventional techniques for mapping units of soil within wetlands are highly laborious, requiring soil coring and laboratory testing. As an alternative, we developed a portable piezocone driver and highly sensitive piezocone designed to map wetland soil units with centimeter-scale resolution in the vertical and meter-scale resolution in the horizontal dimension. This system successfully delineated several different layers of peat, sand, and limnetic sediments, and their degree of interconnectedness in an eight-meter-thick peat deposit. Monitoring of wetland response to precipitation, changes in stream stage, and overbank flooding was then used in conjunction with the piezocone data and a two-dimensional flow model to constrain the hydraulic properties of the soil units. Thus parameterized, a standard subsurface flow model was able to realistically simulate a variety of hydrologic processes relevant to climate change, including wetland-stream water exchange, the movement of wetland porewaters to the root zone of plants, and wetland desaturation under dry conditions.
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    Water, air & soil pollution 85 (1995), S. 249-260 
    ISSN: 1573-2932
    Keywords: acid deposition ; integrated assessment ; modeling ; protocols
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract During the last decade the issue of integrated assessment has received attention both in the scientific literature and in the negotiation of international air pollution agreements. More than often this literature does not differentiate between the integrated assessment as a process and the development and use of models as a tool for calculating the potentials of various scenarios. This paper describes the difference between the process and the tool, and illustrates this using the negotiations leading to the Second Sulfur Protocol (June 1994, Oslo). The situation in Europe (with a highly visible interaction between science and policy) will be compared with the United States (where new legislation was passed before the integrated assessment was finished). Further, the role of integrated assessment models in these negotiations will be discussed with special attention for the interaction between model builders and model users. Lessons from the recent European experience will be drawn. These include lessons for future protocols on acidification, and combined ozone/acidification/eutrophicationprotocols. These lessons will deal with the scale of the problem, the scope of the integrated assessment models, the development of models in parallel with scientific development and the various modes of interaction with the policy community.
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    Water, air & soil pollution 92 (1996), S. 409-419 
    ISSN: 1573-2932
    Keywords: Volatile organic compounds ; emissions ; wastewater treatment ; weirs ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract Volatile organic compounds (VOCs) are emitted from wastewater treatment processes via stripping and volatilization. Significant progress has been made in modeling these emissions, but questions remain regarding operative mass transfer mechanisms in certain processes. In the case of flow over weirs and drop structures, two approaches have been presented: mass transfer is modeled as taking place either (1) entirely in the nappe, or (2) entirely in air bubbles entrained by falling water in the tailwater pool. In the present work, these two very different modeling approaches are evaluated using experimental results on liquid-side concentrations of chlorinated solvents above and below a primary clarifier weir. The model locating the primary emission mechanism within entrained air bubbles in the tailwater pool is found to predict observed liquid-side VOC concentrations better than the model which considers only emissions from the weir nappe.
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    Environmental modeling and assessment 2 (1997), S. 55-63 
    ISSN: 1573-2967
    Keywords: modeling ; life cycle ; interaction ; copepods ; human exploitation
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    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract A model representing the predator‐prey interactions between two copepod species, Euterpina acutifrons and Temora stylifera, with unlimited resources was used to study effects of exploitation. Exploitation is modeled by harvesting strategies characterized through three parameters: the selectivity of gear, the frequency of harvest, and the intensity of harvest effort. Simulations of different harvesting strategies suggest that interactions between species influence the dynamic behaviors of the populations as well as harvesting yields.
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    Oxidation of metals 44 (1995), S. 309-338 
    ISSN: 1573-4889
    Keywords: modeling ; numerical modeling ; numerical techniques ; finite-difference techniques ; oxidation ; corrosion ; carburization ; nitridation ; diffusion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract Numerical modeling of the diffusional transport associated with high-temperature corrosion processes is reviewed. These corrosion processes include external scale formation and internal subscale formation during oxidation, coating degradation by oxidation and substrate interdiffusion, carburization, sulfidation and nitridation. The studies that are reviewed cover such complexities as concentration-dependent diffusivities, cross-term effects in ternary alloys, and internal precipitation where several compounds of the same element may form (e.g., carbides of Cr) or several compounds exist simultaneously (e.g., carbides containing varying amounts of Ni, Cr, Fe or Mo). In addition, the studies involve a variety of boundary conditions that vary with time and temperature. Finite-difference (F-D) techniques have been applied almost exclusively to model either the solute or corrodant transport in each of these studies. Hence, the paper first reviews the use of F-D techniques to develop solutions to the diffusion equations with various boundary conditions appropriate to high-temperature corrosion processes. The bulk of the paper then reviews various F-D modeling studies of diffusional transport associated with high-temperature corrosion.
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    Journal of sol gel science and technology 15 (1999), S. 147-159 
    ISSN: 1573-4846
    Keywords: computer simulation ; modeling ; sol-gel ; phase transition
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    Topics: Chemistry and Pharmacology
    Notes: Abstract Some of our recent work on computer simulation modeling of the sol-to-gel transition for the polymerization by step reaction are presented. Depending on the variants of the model, a random distribution of bifunctional and tetrafunctional monomers of concentration C2 and C4 respectively, and their chains (bond-fluctuating) are used as primary reacting units on a simple cubic lattice as the initial sol-phase. Effects of solvent, temperature, mobility of monomers, rate of reaction, and reversibility are considered in understanding the evolution of microgels, onset of gelation and the nature of sol-to-gel transition, inhomogeneity, etc. Gel point (pc, gel volume fraction (PG), weight average degree of polymerization (MW), structure factor (S(q, t)) show various interesting variations with the conversion factor (p). For example, sol-to-gel transition seems nonuniversal with respect to quality of the solvent, degree of inhomogeneity depends on the quality of solvent and rate of reaction due to interplay between the phase-separation and cross-linking.
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    ISSN: 1573-0778
    Keywords: hybridomas ; serum-free medium ; monoclonal antibodies ; reactor series ; kinetics ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Abstract Hybridomas were cultured under steady-state conditions in a series of two continuous stirred-tank reactors (CSTRs), using a serum-free medium. The substrate not completely converted in the first CSTR, was transported with the cells to the second one and very low growth rates, high death rates, and lysis of viable cells were observed in this second CSTR. These conditions are hardly accessible in a single vessel, because such experiments would be extremely time-consuming and unstable due to a low viability. In contrast to what is often observed in literature, kinetic parameters could thus be derived without the neccessity for extrapolation to lower growth rates. Good agreement with literature averages for other hybridomas was found. Furthermore, showing that the reactor series is a valuable research tool for kinetic studies under extreme conditions, the possibility to observe cell death under stable and defined steady-state conditions offers interesting opportunities to investigate apoptosis and necrosis. Additionally, a model was developed that describes hybridoma growth and monoclonal antibody production in the bioreactor cascade on the basis of glutamine metabolism. Good agreement between the model and the experiments was found.
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    Computational economics 9 (1996), S. 229-239 
    ISSN: 1572-9974
    Keywords: Combinatorial optimization ; clustering ; classifying objects ; classification criteria ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Economics
    Notes: Abstract We discuss a variety of clustering problems arising in combinatorial applications and in classifying objects into homogenous groups. For each problem we discuss solution strategies that work well in practice. We also discuss the importance of careful modelling in clustering problems.
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    Journal of pharmacokinetics and pharmacodynamics 25 (1997), S. 569-593 
    ISSN: 1573-8744
    Keywords: tracer method ; nonlinear kinetics ; Michaelis-Menten ; pharmacokinetics ; erythropoietin ; binding ; drug receptors ; receptor binding ; drug elimination ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A drug tracer is most commonly applied to get information about the pharmacokinetics (PK) of a drug that is not confounded by an endogenously produced drug or an unknown drug input. An equally important use of tracers that has not been fully recognized is their use in the study of nonlinear PK behavior. In the present study a system analysis is applied to examine the interaction between drug molecules characteristic and intrinsic to any nonlinear process which enables the nonlinearity to be identified and modeled using a drug tracer. The proposed Tracer Interaction Methodology (TIM) forms a general developmental framework for novel methods for examining nonlinear phenomena. Such methods are potentially much more sensitive and accurate than previous methods not exploiting the tracer principle. The methodology proposed is demonstrated in a simulation study and with real data in a specific implementation aimed at determining the Michaelis-Menten (MM) parameters of nonlinear drug elimination while accounting for drug distribution effects. The simulation study establishes that the TIM-based, MM parameter evaluation produces substantially more accurate parameter estimates than a nontracer (NT) conventional method. In test simulations the accuracy of the TIM was in many cases an order of magnitude better than the NT method without evidence of bias. The TIM-based, MM parameter estimation methodology proposed is ideally suitable for dynamic, non-steady-state conditions. Thus, it offers greater applicability and avoids the many problems specific to steady state evaluations previously proposed. TIM is demonstrated in an evaluation of the nonlinear elimination behavior of erythropoietin, a process that likely takes place via receptor-based endocytosis. Due to its high sensitivity, accuracy, and intrinsic nonlinearity the TIM may be suitable for in-vivo studies of receptor binding of the many biotechnology produced peptide drugs and endogenous compounds displaying receptor-mediated elimination.
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    Journal of pharmacokinetics and pharmacodynamics 5 (1977), S. 513-531 
    ISSN: 1573-8744
    Keywords: pharmacokinetics ; nonlinear regression ; curve fitting ; computer program ; time sharing ; modeling ; weighting ; least squares ; parameter estimation ; discrimination between models
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    Topics: Chemistry and Pharmacology
    Notes: Abstract The problems of curve fitting and modeling in pharmacokinetics are discussed. A new nonlinear regression program FUNFIT, written for interactive time sharing, is presented which should be more reliable than programs based on the Gauss-Newton or other related gradient methods. The new program and the well-established program NONLIN were tested on two linear models using human plasma drug level data. FUNFIT found a substantially better solution than NONLIN in the majority of the cases.
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    Artificial intelligence review 12 (1998), S. 213-225 
    ISSN: 1573-7462
    Keywords: agricultural systems ; biological systems ; fuzzy logic ; modeling
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    Topics: Computer Science
    Notes: Abstract Fuzzy logic is a powerful concept for handling non-linear, time-varying, adaptive systems. It permits the use of linguistic values of variables and imprecise relationships for modeling system behavior. The paper presents an overview of fuzzy logic modeling techniques, its applications to biological and agricultural systems and an example showing the steps of constructing a fuzzy logic model.
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  • 52
    ISSN: 1573-7527
    Keywords: autonomous robots ; agent architectures ; action selection and planning ; diagnosis ; integration and coordination of multiple activities ; fault protection ; operations ; real-time systems ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract This paper describes the New Millennium Remote Agent (NMRA) architecture for autonomous spacecraft control systems. The architecture supports challenging requirements of the autonomous spacecraft domain not usually addressed in mobile robot architectures, including highly reliable autonomous operations over extended time periods in the presence of tight resource constraints, hard deadlines, limited observability, and concurrent activity. A hybrid architecture, NMRA integrates traditional real-time monitoring and control with heterogeneous components for constraint-based planning and scheduling, robust multi-threaded execution, and model-based diagnosis and reconfiguration. Novel features of this integrated architecture include support for robust closed-loop generation and execution of concurrent temporal plans and a hybrid procedural/deductive executive. We implemented a prototype autonomous spacecraft agent within the architecture and successfully demonstrated the prototype in the context of a challenging autonomous mission scenario on a simulated spacecraft. As a result of this success, the integrated architecture has been selected to fly as an autonomy experiment on Deep Space One (DS-1), the first flight of NASA';s New Millennium Program (NMP), which will launch in 1998. It will be the first AI system to autonomously control an actual spacecraft.
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    Natural resources research 8 (1999), S. 93-109 
    ISSN: 1573-8981
    Keywords: Mineral exploration ; multivariate statistics ; modeling ; decision theory
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    Topics: Geosciences
    Notes: Abstract A Probabilistic Neural Network (PNN) was trained to classify mineralized and nonmineralized cells using eight geological, geochemical, and geophysical variables. When applied to a second (validation) set of well-explored cells that had been excluded from the training set, the trained PNN generalized well, giving true positive percentages of 86.7 and 93.8 for the mineralized and nonmineralized cells, respectively. All artifical neural networks and statistical models were analyzed and compared by the percentages of mineralized cells and barren cells that would be retained and rejected correctly respectively, for specified cutoff probabilities for mineralization. For example, a cutoff probability for mineralization of 0.5 applied to the PNN probabilities would have retained correctly 87.66% of the mineralized cells and correctly rejected 93.25% of the barren cells of the validation set. Nonparametric discriminant analysis, based upon the Epanechnikov Kernel performed better than logistic regression or parametric discriminant analysis. Moreover, it generalized well to the validation set of well-explored cells, particularly to those cells that were mineralized. However, PNN performed better overall than nonparametric discriminant analysis in that it achieved higher percentages of correct retention and correct rejection of mineralized and barren cells, respectively. Although the generalized regression neural network (GRNN) is not designed for a binary—presence or absence of mineralization— dependent variable, it also performed well in mapping favorability by an index valued on the interval [0, 1]. However, PNN outperformed GRNN in correctly retaining mineralized cells and rejecting barren cells of the validation set.
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    Journal of systems integration 5 (1995), S. 91-105 
    ISSN: 1573-8787
    Keywords: materials ; information system ; markets ; value chain ; data base ; modeling
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    Topics: Computer Science
    Notes: Abstract The vitality of a nation or region is based on the effective use of material resources for public and private infrastructure. There are an abundance of technological options and policy choices that can be defined. A value chain approach based on the Reference Material System, using state-of-the-art information systems, can be used to provide an integrated framework for information on material resources and finished materials markets to support planning and analysis of the physical infrastructure that is essential to social and economic development. This framework also provides a model for tracking annual flows and stock levels for the capital account of a region or nation.
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    Journal of pharmacokinetics and pharmacodynamics 4 (1976), S. 337-353 
    ISSN: 1573-8744
    Keywords: bioavailability ; pharmacological data ; pharmacokinetics ; modeling
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    Topics: Chemistry and Pharmacology
    Notes: Abstract The use of data deriving from monitoring the time variation of the intensity of pharmacological effect(s) following dosing can often present an advantageous alternative to the more conventional approach of using chemical or radiological assay of blood and/or urine level data for bioavailability evaluations of drug products: bioavailability studies can be performed with drugs where no assay exists. A relatively simplified discussion of the general theoretical principles on which the use of pharmacological data is based and a stepwise description of the approach for its routine application in bioavailability studies are presented. Approaches for computing rates and extents of drug bioavailability vs. time profiles on analog and digital computers are qualitatively described and quantitatively presented in a subsequent report. The concept of preabsorption (gastrointestinal bioavailability) is introduced and biophasic availability of drugs to local sites of action is discussed.
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    Journal of pharmacokinetics and pharmacodynamics 4 (1976), S. 355-375 
    ISSN: 1573-8744
    Keywords: deconvolution ; bioavailability ; pharmacokinetics ; modeling ; pharmacological data
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    Topics: Chemistry and Pharmacology
    Notes: Abstract Mathematical expressions and approaches to the computation of rates and extents of drug bioavailability for implementation on analog and digital computers are derived. The equivalency of expressions derived on the basis of assuming compartment models to an approach based on using experimentally determined weighting functions is demonstrated. The relative merits of the two techniques are discussed: their application for use with temporal pharmacological data is emphasized. The applicability of the computational techniques to determining the availability of drugs at local sites of action (biophasic availability) and to computing preabsorptive drug release into the gastrointestinal contents (gastrointestinal bioavailability) is pointed out. An approach to computationally predicting in vivo blood level or pharmacological response vs. time profiles from in vitro dissolution testing results is presented and its limitations are discussed.
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    Water resources management 10 (1996), S. 415-437 
    ISSN: 1573-1650
    Keywords: flood frequency ; design criteria ; modeling ; rainfall ; runoff ; applied surface hydrology
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    Topics: Architecture, Civil Engineering, Surveying , Geography
    Notes: Abstract A procedure based on the method of derived distributions is proposed for the estimation of flood frequency from ungauged watersheds. The results of previous research on rainfall characteristics and watershed response are incorporated into the proposed procedure. These rainfall characteristics are storm depth, storm duration, space and time distribution. A simplified watershed model is used which has previously given good simulation of the watershed response. Some of the rainfall and watershed model parameters are stochastic in nature and are assumed to follow various probability distributions. Monte Carlo simulation is used for the generation of the various parameter values and simulation of the peak flow hydrographs. After 5000 realizations, the frequency of the hourly and daily peak flow and the flood volume is estimated. The proposed procedure is applied to eight coastal British Columbia watersheds and the results compare well with the observed data and with fitted probability distributions. The method is easy to apply, requires limited data and is shown to be reliable. Sensitivity analysis shows that the procedure is not very sensitive to uncertainty of the parameter values and is not dependent on the parameter probability distributions used.
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    Water resources management 11 (1997), S. 207-218 
    ISSN: 1573-1650
    Keywords: geographic information systems (GIS) ; HSPF ; modeling ; surface water ; ground water ; nonpoint source pollution ; agricultural pollution ; urban pollution ; pollution prevention
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Geography
    Notes: Abstract An application of GIS-aided modeling is done at an area in South Florida. A Geographic Information System (GIS) is interfaced with a nonpoint source pollution model to facilitate data storage, management and display; derivation of model input parameters; and effective presentation of results. parameters, and to visually present results in maps. Results for current conditions and practices show that sediments, nutrients and pesticides are present in surface runoff and ground water. Two alternatives to minimize pollution levels are evaluated, i.e., reduction of fertilizer application to the minimum required for effective agricultural growth and replacement of fertilizers with sewage sludge. In addition, the impact of urbanization of the agricultural area to the pollutant levels is tested. Both alternatives and the urbanization result in overall reduction of pollution.
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    Journal of science education and technology 8 (1999), S. 3-19 
    ISSN: 1573-1839
    Keywords: levels ; complexity ; simulation ; modeling ; science education ; mathematics education ; dynamic systems ; systems thinking
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    Topics: Natural Sciences in General , Technology
    Notes: Abstract The concept of emergent "levels" (i.e., levels that arise from interactions of objects at lower levels) is fundamental to scientific theory. In this paper, we argue for an expanded role for this concept of levels in science education. We show confusion of levels (and "slippage" between levels) as the source of many of people's deep misunderstandings about patterns and phenomena in the world. These misunderstandings are evidenced not only in students' difficulties in the formal study of science but also in their misconceptions about experiences in their everyday lives. The StarLogo modeling language is designed as a medium for students to build models of multi-leveled phenomena and through these constructions explore the concept of levels. We describe several case studies of students working in StarLogo. The cases illustrate students' difficulties with the concept of levels, and how they can begin to develop richer understandings.
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    Journal of science education and technology 6 (1997), S. 173-191 
    ISSN: 1573-1839
    Keywords: Science education ; educational engineering ; modeling
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    Topics: Natural Sciences in General , Technology
    Notes: Abstract In this paper, we present a system for formally characterizing elements of an introductory science class, measuring the performance of a class based on this characterization, and modeling the value of the class based on the measurements. This system allows the iterative improvement of any educational presentation through a model, test, iterate cycle. We propose formal practices involved in iteratively improving an educational experience be called educational engineering.
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    Transport in porous media 35 (1999), S. 49-65 
    ISSN: 1573-1634
    Keywords: modeling ; biodegradation ; microbial transport ; dual-porosity ; kinetics.
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    Topics: Geosciences , Technology
    Notes: Abstract A mathematical model describing microbial transport and growth in a heterogeneous aquifer domain, composed of overlapping subdomains of high-permeability and low-permeability materials, is developed. Each material is conceptually visualized as a continuum which occupies the entire considered spatial aquifer domain. Based on the assumption that advection in the low-permeability domain is negligible, the mathematical model is solved by using a publically available reactive transport code. The importance of modeling microbial transport and growth in such a dual-porosity system is demonstrated through a hypothetical case study.
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    Water resources management 11 (1997), S. 243-261 
    ISSN: 1573-1650
    Keywords: water resources ; planning ; object-oriented programming ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Geography
    Notes: Abstract Water problems are omnipresent and are already becoming a limiting factor in the development of many countries. Currently the balance between the available and required water in Egypt is fragile. Any movement away from the balancing point means either less ambitious economic development or depletion of the resources and degradation of the environment. The continuing revolution in computer hardware and software is expected to provide more insight into the water problems and to alleviate some of the future water crises. In this paper we have investigated potential benefits which can be accrued from the application of object-oriented modeling in water resources.
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    Transport in porous media 24 (1996), S. 203-220 
    ISSN: 1573-1634
    Keywords: biotransformation ; halogenated solvents ; anaerobic processes ; modeling ; cometabolism
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    Topics: Geosciences , Technology
    Notes: Abstract In situ biorestoration is a groundwater remediation technique in which the indigenous aquifer bacteria are stimulated by injecting compounds to provide carbon source and energy. Stimulated bacteria may transform the target contaminants such as tetrachloroethylene (PCE) and trichloroethylene (TCE) into intermediate products. In this study, we developed a model to simulate the substrate-limited biotransformation of the halogenated solvents present in anoxic groundwater by sequential reductive dehalogenation under methanogenic conditions. The model consists of conservation of mass equations for the primary substrate, immobile indigenous biomass, organic solvents such as PCE and TCE, and their intermediate products trichloroethylene, dichloroethylene, and vinyl chloride. The utilization of primary substrate and the biotransformation of organic solvents are assumed to follow Monod kinetics. The limiting factor on bacterial growth is assumed to be the primary substrate. The microbial yield coefficient is determined from the stoichiometric equation describing the anaerobic process. The model is solved by using a finite difference technique. Results are presented for three different case studies: continuous injection of primary substrate (acetate), single-pulse injection, and double-pulse injection. The single-pulse or double-pulse injection techniques were found to be more effective than continuous injection of primary substrate. Double-pulse technique reduces the clogging of injection wells caused by excessive microbial growth around boreholes and achieves a more uniform distribution of microbial growth in the subsurface. In all cases target compounds were effectively removed. The results, however, indicate substantial levels of intermediate product accumulation. Numerical results of a simplified model which assumes an abundance of primary substrate and a constant population of biomass, compare favorably with experimental data reported in the literature.
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    Journal of pharmacokinetics and pharmacodynamics 23 (1995), S. 217-229 
    ISSN: 1573-8744
    Keywords: physiologically based pharmacokinetics ; modeling ; drug development
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    Topics: Chemistry and Pharmacology
    Notes: Abstract Since the pioneering work of Haggard and Teorell in the first half of the 20th century, and of Bischoff and Dedrick in the late 1960s, physiologically based pharmacokinetic (PBPK) modeling has gone through cycles of general acceptance, and of healthy skepticism. Recently, however, the trend in the pharmaceuticals industry has been away from PBPK models. This is understandable when one considers the time and effort necessary to develop, test, and implement a typical PBPK model, and the fact that in the present-day environment for drug development, efficacy and safety must be demonstrated and drugs brought to market more rapidly. Although there are many modeling tools available to the pharmacokineticist today, many of which are preferable to PBPK modeling in most circumstances, there are several situations in which PBPK modeling provides distinct benefits that outweigh the drawbacks of increased time and effort for implementation. In this Commentary, we draw on our experience with this modeling technique in an industry setting to provide guidelines on when PBPK modeling techniques could be applied in an industrial setting to satisfy the needs of regulatory customers. We hope these guidelines will assist researchers in deciding when to apply PBPK modeling techniques. It is our contention that PBPK modeling should be viewed as one of many modeling tools for drug development.
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    Mathematical geology 10 (1978), S. 657-672 
    ISSN: 1573-8868
    Keywords: ground water ; pollutant transport ; modeling
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    Topics: Geosciences , Mathematics
    Notes: Abstract The transport of pollutants in the subsurface can be affected by random geologic events. Prediction of such transport therefore requires the solution of a partial differential equation whose coefficients are random processes. A method of finding the expected (mean) values of solutions of such equations is derived. This method is used to assess the impact of fault movement and formation of breccia pipes on risk from radioactive waste disposal. Preliminary results indicate that these events, considered probabilistically, do not make a large contribution to risk.
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  • 66
    ISSN: 1573-8868
    Keywords: inversion methods ; basin analysis ; modeling ; Navarin Basin (Alaska) ; tomographic parameters ; GEOPETII
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Mathematics
    Notes: Abstract A dynamical tomography method, which inverts dynamical indicators to evaluate the parameters controlling geological processes as well as those in intrinsic equations of state, was introduced into a 2D fluid flow/compaction model termed GEOPETII (developed at the University of South Carolina), with the assumption of invariance to spatial location of parameters in equations of state, but allowing geologic process parameters to change with well location. Synthetic tests, including sensitivity analysis, are given to illustrate the operation of the system. The nonlinear inverse two-dimensional tomography method, together with a systematic linear search procedure, provides a useful approach to determine and constrain the parameters entering quantitative models of dynamical sedimentary evolution. Applying the method to an interpreted section from a seismic line in the Navarin Basin. Bering Sea. Alaska, the predictions of present-day formation thicknesses, porosity, and fluid pressure with depth are improved at four controlling well locations (Amoco Mishu No. 1, Exxon Redwood 1, Exxon Redwood 2, and Amoco Danielle), relative to previous results which used only a forward model. In this way the geohistory and structural development of the basin can be defined better, which helps in the reconstruction of thermal history, and so of hydrocarbon generation, migration, and accumulation histories in relation to structural and stratigraphic development.
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    Mathematical geology 8 (1976), S. 657-662 
    ISSN: 1573-8868
    Keywords: mathematics ; topology ; modeling ; catastrophe theory
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Mathematics
    Notes: Abstract A brief introduction to catastrophe theory is presented, within the context of geological application, and a fundamental problem with a critical axiom of the theory noted. Implications for the application of this theory to modeling geological processes are noted and a solution to the problem proposed. The new approach is examined with reference to a model for sediment transport on the continental slope.
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  • 68
    ISSN: 1573-904X
    Keywords: modeling ; NONMEM ; bioequivalence ; noncompartmental ; population ; compartmental
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Purpose. The purposes of this study were to evaluate the use of individual compartmental and population compartmental methods for bioequivalence determination, and to determine their utility as adjuncts to the current methods used for bioequivalence assessment. Methods. Data from three bioequivalence studies of chlorthalidone were analyzed with PCNONLIN using individual compartmental modeling and NONMEM for population analyses. These results were compared with results obtained from the traditional noncompartmental or SHAM (slopes, heights, areas, and moments) approach for bioequivalence assessment and the 90% confidence interval procedure. Results. Individual compartmental modeling and population compartmental modeling techniques performed well on this routine set of bioequivalence data which displayed simple pharmacokinetic properties. A direct assessment of the analysis methods was made by comparing the final estimates and 90% confidence intervals for the test to reference ratios (T/R) of AUC and CMAX. The final estimates and 90% confidence intervals for AUC T/R and CMAX T/R were similar and suggest consistency of results, independent of the method used. Conclusions. These results demonstrate the utility of modeling techniques as adjuncts to the traditional noncompartmental approach for bioequivalence determination.
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  • 69
    ISSN: 1573-904X
    Keywords: surface free energy ; cohesion parameter ; modeling ; interfacial tension ; spreading coefficient ; interaction parameter ; strength of interaction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Purpose. The aim of this study was to perform simulations of the influence of surface free energies and cohesion parameters on various interaction parameters within binary systems. Methods. Using predictive equations derived from surface free energies and cohesion parameters originally proposed by Wu (2, 3) and by Rowe (4), values of interfacial tension, spreading and reduced spreading coefficients, interaction parameter and strength of interaction were simulated by means of a data processor. The influence of polar and disperse fractions of the two interacting materials was also examined. Results. From the simulations, boundary conditions could be drawn: minimum interfacial tension, positive spreading coefficient, reduced spreading coefficient superior to unity, maximum value of the interaction parameter or of the strength of interaction. Conclusions. Simulations of the various parameters will help the formulator to select proper materials, eg. an agent that will efficiently bind some powdered substrate, a film-forming agent that will properly coat given cores or a material that will enhibit high interaction with a substrate.
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    Hydrobiologia 414 (1999), S. 1-12 
    ISSN: 1573-5117
    Keywords: tidal bottom boundary layer ; suspended sediment ; modeling ; field measurements
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract A one-dimensional model of the vertical exchange of suspended sediment in a tidal boundary layer is proposed. The model includes two linearized momentum equations for the horizontal velocity components and a series of advection–diffusion equations for concentrations of suspended sediment of specific size. Turbulence generated at the sea-bed is computed with the aid of a two-equation closure describing the time–space evolution of the turbulent kinetic energy, K, and of the turbulence macroscale, Λ (K–Λ model). Special attention is paid to the bottom boundary condition for the sediment concentration, which is of mixed type to take into account downward fluxes at times of decelerating flow and slack waters. The model is applied to conditions encountered in a shallow site located in the eastern part of the English Channel. The model is forced with pressure gradients computed with a two-dimensional vertically-integrated tidal model covering the eastern English Channel and the southern part of the North Sea. The tidal currents and the total suspended sediment load predicted by the model are compared with field data collected over the full water depth.
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    Biogeochemistry 42 (1998), S. 107-120 
    ISSN: 1573-515X
    Keywords: acidity ; ecosystem perturbation ; fine roots ; forest soils ; modeling ; mycorrhizae ; nutrient acquisition ; rhizosphere ; soil sampling ; weathering
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences
    Notes: Abstract In the rhizosphere, biotic and abiotic processes interact to create a zone distinct from the bulk soil that may strongly influence the biogeochemistry of forest ecosystems. This paper presents a conceptual model based upon three operationally defined soil-root compartments (bulk soil, rhizosphere and soil-root interface) to assess nutrient availability in the mineral soil-root system. The model is supported by chemical and mineralogical analyses from bulk and rhizosphere soils collected from a Norway spruce forest. The rhizosphere was more intensively weathered and had accumulated more acidity, base cations and phosphorus than the bulk soil. The quantity and quality of organic matter regulate the reciprocal relationships between soil and roots with their associated biota. However, the biogeochemical role of organic matter in the rhizosphere still remains as an area in which more future research is needed. The mechanisms that may regulate nutrient availability in the rhizosphere are also discussed and related to nutrient cycling and adaptation of forests growing under nutrient poor or perturbed conditions. We suggest that the rhizosphere is not an ephemeral environment in the soil, but persists over time and is resilient against perturbation as evinced by consistent differences between rhizosphere and bulk chemistry and mineralogy over wide range of field treatments.
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    ISSN: 1573-6873
    Keywords: oculomotor ; burst neurons ; system identification ; saccade ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Computer Science , Medicine , Physics
    Notes: Abstract The objective of system identification methods is to construct a mathematical model of a dynamical system in order to describe adequately the input-output relationship observed in that system. Over the past several decades, mathematical models have been employed frequently in the oculomotor field, and their use has contributed greatly to our understanding of how information flows through the implicated brain regions. However, the existing analyses of oculomotor neural discharges have not taken advantage of the power of optimization algorithms that have been developed for system identification purposes. In this article, we employ these techniques to specifically investigate the “burst generator” in the brainstem that drives saccadic eye movements. The discharge characteristics of a specific class of neurons, inhibitory burst neurons (IBNs) that project monosynaptically to ocular motoneurons, are examined. The discharges of IBNs are analyzed using different linear and nonlinear equations that express a neuron's firing frequency and history (i.e., the derivative of frequency), in terms of quantities that describe a saccade trajectory, such as eye position, velocity, and acceleration. The variance accounted for by each equation can be compared to choose the optimal model. The methods we present allow optimization across multiple saccade trajectories simultaneously. We are able to investigate objectively how well a specific equation predicts a neuron's discharge pattern as well as whether increasing the complexity of a model is justifiable. In addition, we demonstrate that these techniques can be used both to provide an objective estimate of a neuron's dynamic latency and to test whether a neuron's initial firing rate (expressed as an initial condition) is a function of a quantity describing a saccade trajectory (such as initial eye position).
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    Precision agriculture 1 (1999), S. 81-94 
    ISSN: 1573-1618
    Keywords: modeling ; GIS ; expert system ; nitrate ; sampling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Most crop simulation models do not directly consider the spatial variability of inputs nor do they produce outputs that show the expected spatial variability of yield across a field. If such models were available for precision farming, then researchers could much better evaluate the effects of soil sampling densities to determine the number of samples necessary to adequately model a particular field. The objectives of this study were: (1) to design and implement a spatial simulation methodology for examining details of precision farming and (2) use this to evaluate the effects of different soil sampling resolutions on predicted yield and residual nitrates through spatially variable nitrogen applications. The GOSSYM/COMAX cotton growth model/expert system and the GRASS geographic information system were used to develop a spatial simulation that produces spatially variable outputs. Inputs to the model were collected from a 3.9-ha cotton field. Soil nitrate, a primary driver in fertilizer recommendations, was sampled on a 15.2-m regular grid for depths to 15 cm and on a 30.5-m regular grid at six 15-cm depth intervals (down to 90 cm). COMAX was used to determine spatially variable fertilizer recommendations. GOSSYM was used to simulate perfect application of these recommendations and predicted spatially variable yield and residual nitrates. Reductions in sampling density or resolution were simulated by systematically reducing the amount of data available to COMAX for calculating spatially variable fertilizer recommendations. GOSSYM subsequently used these recommendations (based upon less and less knowledge of soil nitrates) to simulate the effects of differing sampling resolutions on predicted yield and residual nitrates. For recommendations based upon a 15.2-m grid of inputs, 41.4 kg/ha of nitrate fertilizer produced 801.7 kg/ha of cotton and left an average of 9.4 ppm of nitrate in the soil profile. For a 30.5-m grid, 42.8 kg/ha of nitrate fertilizer resulted in a yield of 811.2 kg/ha and residual soil nitrate of 8.3 ppm. For 45.7-m and 61.0-m grids, the results were 43.3 kg/ha and 41.2 kg/ha of nitrate fertilizer, 755.3 kg/ha and 794.3 kg/ha of cotton, and 11.5 ppm and 8.1 ppm of residual soil nitrate, respectively. This study concluded that crop simulations and geographic information systems are a valuable combination for modeling the effects of precision farming and planning variable rate treatments. Simulation results indicate that excessive fertilization, while potentially damaging to the environment, may also have a negative impact on yield.
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    Transport in porous media 28 (1997), S. 233-251 
    ISSN: 1573-1634
    Keywords: capillary pressure ; conservation equations ; constitutive equations ; liquid water ; modeling ; thermodynamic equilibrium
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Technology
    Notes: Abstract In this paper some considerations are presented about the equations needed to set up a model of the process of heat and mass transfer in porous media. A clear classification is made of the various types of equations used and of their physical meaning. Special attention is paid to the thermodynamic equilibrium equations and to their derivation since they are too often taken for granted. The importance of the various transport mechanisms (of mass and energy) is analyzed and the consequences that can arise when some term is neglected are indicated.
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    Transport in porous media 28 (1997), S. 285-306 
    ISSN: 1573-1634
    Keywords: fissured media ; homogenization ; dual porosity ; modeling ; microstructure ; porous media
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Technology
    Notes: Abstract Totally fissured media in which the individual cells are isolated by the fissure system are effectively described by double porosity models with microstructure. Such models contain the geometry of the individual cells in the medium and the flux across their interface with the fissure system which surrounds them. We extend these results to a dual-permeability model which accounts for the secondary flux arising from direct cell-to-cell diffusion within the solid matrix. Homogenization techniques are used to construct a new macroscopic model for the flow of a single phase compressible fluid through a partially fissured medium from an exact but highly singular microscopic model, and it is shown that this macroscopic model is mathematically well posed. Preliminary numerical experiments illustrate differences in the behaviour of solutions to the partially fissured from that of the totally fissured case.
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    Irrigation and drainage systems 9 (1995), S. 189-204 
    ISSN: 1573-0654
    Keywords: modeling ; sub-surface drainage ; salinity control ; finite element method ; water table ; impervious layer ; water quality ; drain design
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Description / Table of Contents: Résumé Considérant les conséquences potentiellement sérieuses de la pollution du sol et de l'eau souterraine dans l'agriculture irriguée, il est devenu absolument nécessaire de développer des modèles de simulation en vue d'évaluer les effects à long terme des méthodes agricoles modernes. Un modèle d'éléments finis à deux dimensions du transport en solution dans un système de sol aquifère drainé au moyen de tuyaux a été développé et validé sur le terrain (Kamra et al. 1991 a, b). Le modèle assume le mouvement de l'eau à régime constant à travers un sol partiellement saturé et jusqu'aux drains dans la zone saturée. La solution numérique exacte dans le temps produit des expressions explicites pour le champ de concentration à un temps future quelconque sans avoir à calculer les concentrations aux temps intermédiares. Le modèle facilite les prédictions des effets à long terme des diverses méthodes d'irrigation et de drainage sur la concentration des effluents de drainage et sur la distribution de la salinité dans le sol et dans l'eau souterraine. Les résultats du modèle relatifs aux effets de la profondeur de la couche imperméable et de la qualité de l'eau d'irrigation sur la distribution de la salinité lors du drainage d'un sol fortement salé à l'origine sont mentionnés dans la présente communication. Les résultats du modéle ont indiqué que la profondeur de la couche imperméable depuis le niveau du drain, dI, n'influence pas d'une façon significative la distribution de la salinité dans la zone superficielle radiculaire de 1 m des divers écartements de drains (écartement de drains, 2S=25, 50, 75 m; profondeur des drains, dd=1.8 m); son effet dans l'aquifère devient dominant à mesure que l'écartement de drains augmente. On a aussi constaté que le niveau du drain dI influence d'une manière significative les effluents du drainage. La salinité de l'eau de drainage augmente à mesure que dI augmente dans tous les écartements de drains et cet effet s'amplifie avec le temps. Le modèle a été aussi appliqué pour étudier les effets de la salinité de l'eau d'irrigation dans le cas de quatre conbinaisons d'écartement de drain et de profondeur de drain: (2S=48 m, dd=1,0 m; 2S=67 m, dd=1,5 m; 2S=77 m, dd=2,0 m; 2S=85 m, dd=2,5 m). Les résultats ont indiqué qu'un bilan de salinité favorable peut être maintenu dans la zone radiculaire même en irrigant avec de l'eau d'une salinité de 5 dS/m dans des drains installés à un écartement de 48 à 67 m et une profondeur de 1,0 à 1,5 m. De plus, indépendamment de la qualité de l'eau d'irrigation les drains profonds à grand écartement (dd=2,5 m, 2S=85 m) produisaient une grande quantité d'effluents salés de drainage durant les quelques premières années de l'exploitation du système de drainage par rapport aux drains peu profonds à écartement serré, posant ainsi un problème plus sérieux d'évacuation des effluents. Les résultats du développement et de l'évaluation du modèle on montré qu'il peut être utilement employé en vue d'une évaluation judicieuse de la variation de temps escomptée dans la salinité des effluents de drainage lors de la mise en valeur des sols salins et peut ainsi aider à formuler son règlement plus sûr du point de vue environnement et les projects d'évacuation.
    Notes: Abstract A two-dimensional finite element model of solute transport in a tile — drained soil — aquifer system has been applied to study the effects of the depth of impervious layer and quality of irrigation water on salt distribution during drainage of an initially highly saline soil. The model assumes steady state water movement through partially saturated soil and to drains in the saturated zone. The exact in time numerical solution yields explicit expressions for concentration field at any future time without having to compute concentrations at intermediate times. The model facilitates predictions of long-term effects of different irrigation and drainage practices on concentration of drainage effluent and salt distribution in the soil and groundwater. The model results indicated that the depth of impervious layer from drain level, dI, does not significantly influence the salt distribution in the surface 1 m root zone of different drain spacings (drain spacing (2S)=25, 50, 75 m; drain depth (dd)=1.8 m), its effect in the aquifer becomes dominant as drain spacing increases. It was also observed that dI significantly governs the quality of drainage effluent. The salinity of drainage water increases with increasing dI in all drain spacings and this effect magnifies with time. The model was also applied to study the effects of salinity of irrigation water in four drain spacing-drain depth combinations: (2S=48 m, dd=1.0 m; 2S=67 m, dd=1.5 m; 2S=77 m, dd=2.0 m; 2S=85 m, dd=2.5 m). The results indicated that a favorable salt balance can be maintained in the root zone even while irrigating with water up to 5 dS/m salinity in drains installed at 48 to 67 m spacing and 1.0 to 1.5 m depth. Further, irrespective of the quality of irrigation water, the deep, widely spaced drains (dd=2.5 m, 2S=85 m) produced much saline drainage effluent during the initial few years of operation of the drainage system than the more shallow, closely spaced drains, thus posing a more serious effluent disposal problem.
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    Water resources management 10 (1996), S. 251-277 
    ISSN: 1573-1650
    Keywords: Geographic information systems (GIS) ; modeling ; hydrology ; surface water ; groundwater ; water supply ; sewer design ; agricultural pollution ; nonpoint source pollution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Geography
    Notes: Abstract Increasing public awareness, stricter measures and promulgation of new laws in the area of water resources have made the use of advanced technologies indispensable. Geographic Information Systems (GIS) are an effective tool for storing, managing, and displaying spatial data often encountered in water resources management. The application of GIS in water resources is constantly on the rise. In order to stress the importance of GIS in water resources management, applications related to this area are addressed and evaluated for efficient future research and development. Fundamentals of GIS are summarized and the history of the GIS evolution in water resources is discussed. Current GIS applications are presented including surface hydrologic and groundwater modeling, water supply and sewer system modeling, stormwater and nonpoint source pollution modeling for urban and agricultural areas, and other related applications. Future research and development needs are presented, based on these reviews.
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    Water resources management 11 (1997), S. 136-164 
    ISSN: 1573-1650
    Keywords: nonpoint source pollution ; stormwater management ; urban runoff quality ; modeling ; best management practices
    Source: Springer Online Journal Archives 1860-2000
    Topics: Architecture, Civil Engineering, Surveying , Geography
    Notes: Abstract Nonpoint source (NPS) pollution from urban runoff has been established as a major cause of receiving water degradation. In an effort to control this problem, new regulations have been passed in the U.S.A. and federal, state, and local agencies are devising urban runoff management programs. This paper reviews recent regulations and studies related to urban stormwater runoff control and planning in the U.S.A.; discusses fundamentals of urban NPS pollution including transport processes and types and sources of pollutants; reviews current hydrologic and water quality mathematical models used in the U.S.A.; presents case studies in both modeling and management; and describes fundamentals of Best Management Practices (BMPs) in urban runoff control. Finally, it summarizes future research needs.
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    Journal of science education and technology 6 (1997), S. 193-211 
    ISSN: 1573-1839
    Keywords: Science education ; educational engineering ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Natural Sciences in General , Technology
    Notes: Abstract This article extends and refines the modeling system presented previously (Stewart, 1997). The initial system was sufficient for the optimization of delivery of education at a departmental level. This system is greatly more powerful, precise, and scientific, and fulfills the role of a modeling system for the research and development of educational practices. The model is applied to two widely diverse educational processes, Student Actions and Do Homework Problem, establishing the formalism and demonstrating its usefulness. The use of a rigorous computational syntax imposes completeness criteria on the modeling itself and uniformity. Experimental definition of the formation process of the patterns allows anyone to introduce new features of a model. This and the uniformity allows the models to become the property of the education community, not merely a single researcher, in the same way that mathematical models allow scientists to utilize and build upon previous research.
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    Journal of science education and technology 6 (1997), S. 297-314 
    ISSN: 1573-1839
    Keywords: Science education ; educational engineering ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Natural Sciences in General , Technology
    Notes: Abstract This paper presents a measurement of the time and resources committed to traditional student actions such as reading and working homework. The perception of the educational value of each basic action for both students and faculty is captured. From this information, basic educational efficiencies are computed for a traditional mechanics course and a non-traditional hands-on Electricity and Magnetism course. The calculations show an allocation of resources in the traditional course which uses the most student time in the least educationally valuable activity. The computed efficiencies also show overseen student note-taking as potentially a very valuable general tool. The techniques presented allow any institution to carry out quantitative educational engineering of their course offerings at the highest level.
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    Analog integrated circuits and signal processing 10 (1996), S. 23-43 
    ISSN: 1573-1979
    Keywords: Macromodeling ; hieararchical design ; analog circuit design ; feasibility ; performance ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Abstract Hierarchy plays a significant role in the design of digital and analog circuits. At each level of the hierarchy it becomes essential to evaluate if a sub-block design is feasible and if so which design style is the best candidate for the particular problem. This paper proposes a general methodology for evaluating the feasibility and the performance of sub-blocks at all levels of the hierarchy. A vertical binary search technique is used to generate the feasibility macromodel and a layered volume-slicing methodology with radial basis functions is used to generate the performance macromodel. Macromodels have been developed and verified for both analog and digital blocks. Analog macromodels have been developed at three different levels of hierarchy (current mirror, opamp, and A/D converter). The impact of different fabrication processes on the performance of analog circuits have also been explored. Though the modeling technique has been fine tuned to handle analog circuits the approach is general and is applicable to both analog and digital circuits. This feature makes it particularly suitable for mixed-signal designs.
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    Flow, turbulence and combustion 59 (1997), S. 409-420 
    ISSN: 1573-1987
    Keywords: turbulence ; simulation ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract Large-eddy simulations corresponding to the decaying isotropic turbulence experiment of Comte-Bellot and Corrsin are performed, using a pseudo-spectral code that incorporates four models: viscosity and hyperviscosity types, each implemented for both the subgrid scale stress tensor and the subgrid scale force. Two 1/T scalings are also considered for the viscosity amplitude. The dynamic procedure is extended to the four models and is tested. Results are obtained with and without this procedure and for both scalings. The main conclusions are: (a) the two viscosity models perform equally well; (b) the Kolmogorov scaling performs as well as the Smagorinsky scaling, yet it is computationally more efficient; (c) in the dynamic procedure, there is a fairly wide range of test to grid filter ratios which produces results insensitive to this ratio; and (d) the hyperviscosity models lead to energy decay curves that follow the experimental data as well as the usual viscosity models.
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    Experimental and applied acarology 23 (1999), S. 827-839 
    ISSN: 1572-9702
    Keywords: Amblyomma americanum ; lone star tick ; integrated management ; modeling ; computer simulation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The simulation model LSTSIM was revised and adapted to estimate the effects of different management strategies on populations of the lone star tick, Amblyomma americanum (Linnaeus), in non-agricultural areas. The control technologies evaluated were area-wide acaricide application, acaricide self-treatment of white-tailed deer, vegetation reduction and reductions in the density of white-tailed deer. Estimated changes in tick populations using these technologies compared favorably with results from actual integrated tick management studies at five different geographic locations. Area-wide acaricide application and vegetation reduction, as well as combinations of the two technologies proved to be useful for short-term, seasonal management of ticks in small non-agricultural areas and residential sites. Self-treatment of deer with acaricide, applied topically or as a systemic, appears to be the most cost-effective technology for use in area-wide, long-term programs for tick control. The results of simulations suggest that reductions in deer density should be considered as a component of any tick management program.
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    ISSN: 1573-0654
    Keywords: irrigation canals ; maintenance ; modeling ; performance assessment ; water distribution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract In secondary canals in Pakistan‘s Punjab, the waterdistribution depends on the hydraulic characteristicsof channels, cross-structures and tertiary outlets.Maintenance of channels and structures plays a crucialrole in upholding equitable distribution of water tothe tertiary units. In the past, maintenance has beenundertaken by irrigation managers based on experienceand observations. In the present study a hydro-dynamicmodel (SIC – Simulation of Irrigation Canals) is usedto assess a priori the impact of maintenance measureson water distribution. Maintenance measures can thusbe selected that remove existing bottlenecks in thewater distribution in the most cost-effective way. The methodology is applied to a secondary canal insouth-east Punjab. The simulation results show thatthe main cause of present inequity in waterdistribution are deviations in dimensions of tertiaryoutlets, which, if restored, would make the mosteffective contribution to improve the waterdistribution. Maintenance of the channel is necessaryif its capacity diminishes.
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    ISSN: 1573-0662
    Keywords: chlorine monoxide ; photochemistry ; modeling ; partitioning
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences
    Notes: Abstract A new lightweight in situ instrument designed to measure ClO was flown on a balloon launched into the arctic vortex at dawn on February 3, 1995 at Kiruna, Sweden during the Second European Stratospheric Arctic and Mid-latitude Experiment (SESAME), together with instruments to measure ozone and long-lived tracers. Observations on ascent and descent at different solar zenith angles are compared to results from Lagrangian and box model calculations that assume the airmasses at similar potential temperatures had comparable photochemical histories. Between 20 and 22 km, in a region where ClO was significantly enhanced, a model constrained by currently recommended rate parameters significantly underestimates the abundances of ClO that were observed on ascent at high solar zenith angles, whereas the agreement is much better if a smaller ClO-Cl2O2 equilibrium constant, one inferred from previous ER-2 aircraft observations of ClO in the Arctic during nighttime, is assumed. On ascent, ClO is additionally enhanced in a narrow region between 20 and 21 km. We believe the most plausible explanation for this feature is rapid photolysis of OClO produced by the slow bimolecular reaction ClO + ClO over the 48 hours prior to the observations when the airmass was warmed to 225 K by adiabatic compression while in polar darkness. These results suggest that under special circumstances, OClO can be produced by a reaction other than one involving BrO, and, hence, OClO is not necessarily a universal proxy for BrO abundances in the perturbed polar vortex.
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    ISSN: 1573-0662
    Keywords: aerosol ; iodine chemistry ; halogen chemistry ; marine boundary layer ; modeling ; ozone loss ; sea salt
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences
    Notes: Abstract A detailed set of reactions treating the gas and aqueous phase chemistry of the most important iodine species in the marine boundary layer (MBL) has been added to a box model which describes Br and Cl chemistry in the MBL. While Br and Cl originate from seasalt, the I compounds are largely derived photochemically from several biogenic alkyl iodides, in particular CH2I2, CH2ClI, C2H5I, C3H7I, or CH3I which are released from the sea. Their photodissociation produces some inorganic iodine gases which can rapidly react in the gas and aqueous phase with other halogen compounds. Scavenging of the iodine species HI, HOI, INO2, and IONO2 by aerosol particles is not a permanent sink as assumed in previous modeling studies. Aqueous-phase chemical reactions can produce the compounds IBr, ICl, and I2, which will be released back into the gas phase due to their low solubility. Our study, although highly theoretical, suggests that almost all particulate iodine is in the chemical form of IO-3. Other aqueous-phase species are only temporary reservoirs and can be re-activated to yield gas phase iodine. Assuming release rates of the organic iodine compounds which yield atmospheric concentrations similar to some measurements, we calculate significant concentrations of reactive halogen gases. The addition of iodine chemistry to our reaction scheme has the effect of accelerating photochemical Br and Cl release from the seasalt. This causes an enhancement in ozone destruction rates in the MBL over that arising from the well established reactions O(1D) + H2O → 2OH, HO2 + O3 → OH + 2O2, and OH + O3 → HO2 + O2. The given reaction scheme accounts for the formation of particulate iodine which is preferably accumulated in the smaller sulfate aerosol particles.
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    Journal of statistical physics 91 (1998), S. 221-283 
    ISSN: 1572-9613
    Keywords: Nonequilibrium dynamics ; turbulence ; variational principle ; statistical closure ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We show that a variational implementation of probability density function (PDF) closures has the potential to make predictions of general turbulence mean statistics for which a priori knowledge of the incorrectness is possible. This possibility exists because of realizability conditions on “effective potential” functions for general turbulence statistics. These potentials measure the cost for fluctuations to occur away from the ensemble-mean value in empirical time-averages of the given variable, and their existence is a consequence of a refined ergodic hypothesis for the governing dynamical system (Navier–Stokes dynamics). Approximations of the effective potentials can be calculated within PDF closures by an efficient Rayleigh–Ritz algorithm. The failure of realizability within a closure for the approximate potential of any chosen statistic implies a priori that the closure prediction for that statistic is not converged. The systematic use of these novel realizability conditions within PDF closures is shown in a simple 3-mode system of Lorenz to result in a statistically improved predictive ability. In certain cases the variational method allows an a priori optimum choice of free parameters in the closure to be made.
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    Biodegradation 6 (1995), S. 295-308 
    ISSN: 1572-9729
    Keywords: reductive dehalogenation ; kinetics ; modeling ; substrate interactions ; cometabolism
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Energy, Environment Protection, Nuclear Power Engineering , Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract A kinetic model that describes substrate interactions during reductive dehalogenation reactions is developed. This model describes how the concentrations of primary electron-donor and -acceptor substrates affect the rates of reductive dehalogenation reactions. A basic model, which considers only exogenous electron-donor and -acceptor substrates, illustrates the fundamental interactions that affect reductive dehalogenation reaction kinetics. Because this basic model cannot accurately describe important phenomena, such as reductive dehalogenation that occurs in the absence of exogenous electron donors, it is expanded to include an endogenous electron donor and additional electron acceptor reactions. This general model more accurately reflects the behavior that has been observed for reductive dehalogenation reactions. Under most conditions, primary electron-donor substrates stimulate the reductive dehalogenation rate, while primary electron acceptors reduce the reaction rate. The effects of primary substrates are incorporated into the kinetic parameters for a Monod-like rate expression. The apparent maximum rate of reductive dehalogenation (q m, ap ) and the apparent half-saturation concentration (K ap ) increase as the electron donor concentration increases. The electron-acceptor concentration does not affect q m, ap , but K ap is directly proportional to its concentration.
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    Plant and soil 186 (1996), S. 237-243 
    ISSN: 1573-5036
    Keywords: modeling ; non-uniform ; root resistance ; soil resistance ; water uptake
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract The assumption of uniform water flow to the root or uniform water potential at the root surface was shown by Hainsworth and Aylmore (1986, 1989) to be erroneous. The present paper demonstrates how the non-uniform uptake of water by a single root can be modeled. Differential equations are numerically solved to describe simultaneous water movement in the plant and in the soil. In the plant, boundary conditions are the water potentials at the root surface (Ψs) and in the xylem at the root base (Ψb). A set of difference equations describe the flow of water radially through the cortex to the xylem and in the xylem axially upwards to the base. For calculating the water flow in the soil and the values of Ψs, i.e. the boundary conditions for flow in the root, the finite element method (FEM) is used, the boundary conditions being the flux of water into the plant root and the zero flow across the wall, bottom and surface of a hypothetical soil cylinder surrounding the root. ei]Section editor: B E Clothier
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    Plant and soil 215 (1999), S. 7-17 
    ISSN: 1573-5036
    Keywords: modeling ; plant water uptake ; root zone ; soil water
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Soil water movement with root water uptake is a key process for plant growth and transport of water and chemicals in the soil-plant system. In this study, a root water extraction model was developed to incorporate the effect of soil water deficit and plant root distributions on plant transpiration of annual crops. For several annual crops, normalized root density distribution functions were established to characterize the relative distributions of root density at different growth stages. The ratio of actual to potential cumulative transpiration was used to determine plant leaf area index under water stress from measurements of plant leaf area index at optimal soil water condition. The root water uptake model was implemented in a numerical model. The numerical model was applied to simulate soil water movement with root water uptake and simulation results were compared with field experimental data. The simulated soil matric potential, soil water content and cumulative evapotranspiration had reasonable agreement with the measured data. Potentially the numerical model implemented with the root water extraction model is a useful tool to study various problems related to flow transport with plant water uptake in variably saturated soils.
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    Biogeochemistry 35 (1996), S. 433-445 
    ISSN: 1573-515X
    Keywords: ammonium oxidation ; growth rate ; maintenance energy ; modeling ; nitrification ; soil nitrate ; temperature
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Geosciences
    Notes: Abstract To model nitrification rates in soils, it is necessary to have equations that accurately describe the effect of environmental variables on nitrification rates. A variety of equations have been used previously to describe the effect of temperature on rates of microbial processes. It is not clear which of these best describes the influence of temperature on nitrification rates in soil. I compared five equations for describing the effects of temperature on nitrification in two soils with very different temperature optima from a California oak woodland-annual grassland. The most appropriate equation depended on the range of temperatures being evaluated. A generalized Poisson density function best described temperature effects on nitrification rates in both soils over the range of 5 to 50 °C; however, the Arrhenius equation best described temperature effects over the narrower range of soil temperatures that normally occurs in the ecosystem (5 to 28 °C). Temperature optima for nitrification in most of the soils were greater than even the highest soil temperatures recorded at the sites. A model accounting for increased maintenance energy requirements at higher temperatures demonstrates how net energy production, rather than the gross energy production from nitrification, is maximized during adaptation by nitrifier populations to soil temperatures.
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    Water, air & soil pollution 85 (1995), S. 2607-2612 
    ISSN: 1573-2932
    Keywords: acidification ; model testing ; modeling ; acid deposition
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract Strategies to control the emission of atmospheric pollutants such as sulfur and nitrogen, are generally based in large part on projections using models that simulate the influence of sulfur and/or nitrogen deposition on the acid-base chemistry of surface waters. One of the principal models used throughout Europe and North America for such assessment is the Model of Acidification of Groundwater in Catchments (MAGIC). All watershed models are simplified representations of reality, and as such require careful testing to establish their veracity prior to use for making policy projections. This is particularly true where the use of these model projections has the potential for serious environmental or economic consequences. During the past five years, we have tested the MAGIC model in a large variety of settings and under quite varying environmental conditions. This work has included comparing model hindcast simulations with diatom-inferences of historical acidification, sensitivity analyses to examine the response of the model to alternative assumptions and formulations, and detailed testing of model forecasts by comparing simulated chemistry with the results of catchment-scale and plot-scale experimental acidification and deacidification. Our analyses have elucidated a number of potentially-important deficiencies in model structure and method of application. These have resulted in changes to the model and its calibration procedures. Our work has included in-depth evaluation of issues related to regional aggregation of soils data, background sulfur deposition, natural organic acidity, and aluminum mobilization. The result has been an improved and more thoroughly-tested version of MAGIC. The process we have followed to improve and confirm the MAGIC model has been iterative and time consuming. It required the availability of large volumes of data from experimental manipulation and paleolimnological studies. We believe that such model testing and confirmation efforts should be a critical prerequisite for regional or national assessment activities that are based largely on the results of environmental models.
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  • 93
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    Environmental modeling and assessment 4 (1999), S. 35-44 
    ISSN: 1573-2967
    Keywords: modeling ; soils ; crops ; water quality impact ; simulation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract The purpose of this study was to develop a method for assessing generalised N leaching estimates from large areas of agricultural land. The system developed was based on calculating a number of N leaching estimates for different typical cropping situations. The estimates were normalised with respect to varying weather conditions and crop production. The different cropping situations were described by setting up a matrix consisting of crucial factors influencing leaching such as soils, crops and climate. Nitrogen leaching was then estimated for a number of combinations of these factors. Calculations were made for three different regions where all the major crops were cultivated on soils with seven different textures and four different organic-N classes and two fertilisation regimes. The three regions are representative of climates and agricultural practices in some of the major agricultural areas in Sweden. The model used was the SOILN model. Leaching of nitrogen from the root zone showed large variations. The range was from 1 to 50 kg ha−1 for different soils and crops when only fertiliser N was applied. Leaching varied both due to different climates and differences in cultivation practices between the regions. Leaching decreased in a south-north gradient. Leaching increased as a result of greater mineralisation when the organic matter content in the soils was increased, leaching was less from soils with a high clay content and was very small for the heavy clay soil.
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  • 94
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    Water, air & soil pollution 85 (1995), S. 1921-1926 
    ISSN: 1573-2932
    Keywords: Sulfur deposition ; modeling ; East Asia ; transport
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract A three dimensional regional Eulerian model of sulfur deposition and tranport has been developed. It includes emission, transport, diffusion, gas-phase and aqeous-phase chemical process, dry depostion, rainout and washout process. A “looking up table” method is provided to deal with the gas-phase chemical process including sulfur transfer. Calculated values have reasonable agreement with observations. Distribution of sulfur deposition and transport in East Asia are also analyzed in the paper. Simulation shows that sulfate (SO 4 2− ) is the main substance to transport in long range transport. Some amount of sulfur emission of different countries transport across boundaries, but the main origin of sulfur deposition in each country in East Asia is from herself. Furthermore, some transport paths on different layers and outlet or inlet zones are found.
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  • 95
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    Water, air & soil pollution 90 (1996), S. 313-320 
    ISSN: 1573-2932
    Keywords: Colorado ; convection ; downscaling ; modeling ; orographic ; precipitation ; summer ; sensitivity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract A convective precipitation model for use in regions of complex terrain has been developed and applied to the Gunnison River Basin in southwestern Colorado. Spring snowfall in the Rocky Mountain region often has a significant convective component which orographic precipitation models are unable to simulate. Additionally, summertime precipitation is predominately convective in this area and is responsible for a large portion of summer streamflow variability. Streamflow typically increases by 50 to 100 percent of baseflow for moderate rainfall events for periods of up to one week. Larger precipitation episodes can produce peak discharges that exceed the spring snowmelt peaks. Convective precipitation also is important for plant growth, minimum streamflows and fire hazard conditions. In addition, an accurate assessment of the response of hydrologic systems to climate variability and change requires an accurate estimate of convective precipitation in mountainous areas. The convective model accurately reproduced the trend and amount of observed precipitation for the test period August 14–20, 1989. The convective model has applicability for downscaling large-scale model precipitation to smaller scales for use in water quality and quantity assessments.
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  • 96
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    Environmental monitoring and assessment 48 (1997), S. 73-100 
    ISSN: 1573-2959
    Keywords: modeling ; soil gas surveys ; vadose zone ; volatile organic compounds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract Diffusion of VOC from cylindrical vadose zone domains contaminatedwith distributed nonaqueous phase liquid is examined in the steadystate approximation. The effects of first-order biodegradation and ofan extended underlying pool of LNAPL floating on the water table belowthe cylindrical domain are explored by means of an orthogonal functionsapproach. The distribution of VOC in the vadose zone above a floatingcircular LNAPL pool of finite size is explored by a numerical method.The results provide information useful in estimating the spacing anddepth at which soil gas samples should be taken in order to detect thepresence of such source areas. Comparison of model results with soilgas VOC measurements at various depths also provides insight into theextent to which natural biodegradation of the VOCs is taking place.
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  • 97
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    Water, air & soil pollution 105 (1998), S. 331-342 
    ISSN: 1573-2932
    Keywords: Northern Europe ; Fennoscandia ; Kola Peninsula ; sulfur deposition ; critical loads ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract Fennoscandia is subjected to a considerable anthropogenic load, where S still is a notable contributor. At the same time, the region is very sensitive to acidifying depositions. The Regional Acidification Information and Simulation model (RAINS) was applied for a regional assessment of S deposition and loads in Fennoscandia from 1960 through 1995. Different variants of sources were considered: 1) all Europe, 2) north-west Russia (the Kola, Karelia and Leningrad county), and 3) the Nordic countries (Finland, Norway, Sweden). This allowed their contribution to the deposition pattern of the region to be assessed. The percentage of the ecosystems where the critical load had been exceeded was calculated for each year. For a more detailed assessment of the influence of the sources of the Kola region, estimations on the basis of local and meso-scale models were made. Comparative analysis of the calculations for the domestic and all the European sources revealed a dominating effect of S deposition from west and central Europe (Europe minus Fennoscandia) in general. The calculations showed a high, but local impact of the Kola sources on northern parts of the Fennoscandian region.
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  • 98
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    Water, air & soil pollution 105 (1998), S. 643-659 
    ISSN: 1573-2932
    Keywords: acid deposition ; acidification ; aluminium ; modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract Although the increased mobilization of aluminum from soils to surface waters is widely recognized as one of the most important ecological effects of acidic deposition, lumped-parameter mathematical models of acidification response typically overestimate the change in Al concentration under changing deposition by a considerable margin. The assumption of equilibrium with gibbsite (Al(OH)3) in the MAGIC model and other models of acid-base chemistry is shown to be inconsistent with measured values for a large variety of lake and stream databases. A modified algorithm for predicting Al concentration, based on empirical relationships evident in field data, provided superior estimates of changes in Al concentration in three long-term monitoring data sets and under experimental conditions at two experimental watershed manipulation sites.
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  • 99
    ISSN: 1573-2932
    Keywords: Clean water ; fresh water ; water resources ; ecological risks ; health risks ; control strategies ; measurement quality ; modeling ; electric utilities
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract The International Water Conference held in La Jolla, California during 28–30 November 1995, had an objective to provide an opportunity for international information exchange on new research applications and timely policy issues effecting the availability, use and quality of water for power generation. This Conference included the topical areas, the use of water and the management of chemical quality in process wastewaters; physical and biological transformation due to discharges in open surface waters, watersheds and wetlands; the role of risk and cost-benefit assessments; and discussion of the Clean Water Act containments. This Conference Summary contains an overview of the present state of the knowledge regarding the use of water by the electric utility industry and potential future issues as discussed in papers presented at the Conference and a summary of the most important findings and conclusions.
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  • 100
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    Environmental monitoring and assessment 57 (1999), S. 291-299 
    ISSN: 1573-2959
    Keywords: GMS ; modeling ; contaminant transport and migration
    Source: Springer Online Journal Archives 1860-2000
    Topics: Energy, Environment Protection, Nuclear Power Engineering
    Notes: Abstract An important issue in the application of mathematical models to describe or predict the fate of solutes in soil and groundwater systems is providing the necessary data to support the spatial, temporal, and hydrogeologic model parameter requirements. The larger, more complex the model and scope of application, the more likely that significant amounts of data of several types are required. A management tool is required that allows the model and the modeler to interact with various needed databases, cope with numerous database management issues, efficiently achieve model parameterization and provide visualization of model output. The three-dimensional Groundwater Modeling System (GMS) that contains a state-of-the-art flow and solute transport model and a graphical user interface for data manipulation and analysis was applied to a Superfund site in Florida to demonstrate its capabilities for predicting solute migration.
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