Directory of Open Access Journals (Sweden)
El-Khamsa Guechi
2016-09-01
Full Text Available Potato peel (PP was used as a biosorbent to remove malachite green (MG from aqueous solution under various operating conditions. The effect of the experimental parameters such as initial dye concentration, biosorbent dose, initial pH, stirring speed, temperature, ionic strength and biosorbent particle size was investigated through a number of batch sorption experiments. The sorption kinetic uptake for MG by PP at various initial dye concentrations was analyzed by non-linear method using pseudo-first, pseudo-second and pseudo-nth order models. It was found that the pseudo-nth order kinetic model was the best applicable model to describe the sorption kinetic data and the order n of sorption reaction was calculated in the range from 0.71 to 2.71. Three sorption isotherms namely the Langmuir, Freundlich and Redlich–Peterson isotherms in their non-linear forms were applied to the biosorption equilibrium data. Both the Langmuir and Redlich–Peterson models were found to fit the sorption isotherm data well, but the Redlich–Peterson model was better. Thermodynamic parameters show that the sorption process of MG is endothermic and more effective process at high temperatures. The results revealed that PP is very effective for the biosorption of MG from aqueous solutions.
Sorption mechanisms and sorption models
International Nuclear Information System (INIS)
Fedoroff, M.; Lefevre, G.; Duc, M.; Neskovic, C.; Milonjic, S.
2004-01-01
Sorption at the solid-liquid interfaces play a major role in many phenomena and technologies: chemical separations, catalysis, biological processes, transport of toxic and radioactive species in surface and underground waters. The long term safety of radioactive waste repositories is based on artificial and natural barriers, intended to sorb radionuclides after the moment when the storage matrixes and containers will be corroded. Predictions on the efficiency of sorption for more than 10 6 years have to be done in order to demonstrate the safety of such depositories, what is a goal never encountered in the history of sciences and technology. For all these purposes, and, especially for the long term prediction, acquiring of sorption data constitutes only a first step of studies. Modeling based on a very good knowledge of sorption mechanisms is needed. In this review, we shall examine the main approaches and models used to quantify sorption processes, including results taken from the literature and from our own studies. We shall compare sorption models and examine their adequacy with sorption mechanisms. The cited references are only a few examples of the numerous articles published in that field. (orig.)
Ho, Yuh-Shan
2006-01-01
A comparison was made of the linear least-squares method and a trial-and-error non-linear method of the widely used pseudo-second-order kinetic model for the sorption of cadmium onto ground-up tree fern. Four pseudo-second-order kinetic linear equations are discussed. Kinetic parameters obtained from the four kinetic linear equations using the linear method differed but they were the same when using the non-linear method. A type 1 pseudo-second-order linear kinetic model has the highest coefficient of determination. Results show that the non-linear method may be a better way to obtain the desired parameters.
International Nuclear Information System (INIS)
FOGWELL, T.W.; LAST, G.V.
2003-01-01
The estimation of flux of contaminants through the vadose zone to the groundwater under varying geologic, hydrologic, and chemical conditions is key to making technically credible and sound decisions regarding soil site characterization and remediation, single-shell tank retrieval, and waste site closures (DOE 2000). One of the principal needs identified in the science and technology roadmap (DOE 2000) is the need to improve the conceptual and numerical models that describe the location of contaminants today, and to provide the basis for forecasting future movement of contaminants on both site-specific and site-wide scales. The State of Knowledge (DOE 1999) and Preliminary Concepts documents describe the importance of geochemical processes on the transport of contaminants through the Vadose Zone. These processes have been identified in the international list of Features, Events, and Processes (FEPs) (NEA 2000) and included in the list of FEPS currently being developed for Hanford Site assessments (Soler et al. 2001). The current vision for Hanford site-wide cumulative risk assessments as performed using the System Assessment Capability (SAC) is to represent contaminant adsorption using the linear isotherm (empirical distribution coefficient, K d ) sorption model. Integration Project Expert Panel (PEP) comments indicate that work is required to adequately justify the applicability of the linear sorption model, and to identify and defend the range of K d values that are adopted for assessments. The work plans developed for the Science and Technology (S and T) efforts, SAC, and the Core Projects must answer directly the question of ''Is there a scientific basis for the application of the linear sorption isotherm model to the complex wastes of the Hanford Site?'' This paper is intended to address these issues. The reason that well documented justification is required for using the linear sorption (K d ) model is that this approach is strictly empirical and is often
Interim report on modeling sorption with EQ3/6
International Nuclear Information System (INIS)
Viani, B.
1988-01-01
Reversible, equilibrium models of sorption to be incorporated into the EQ3/6 geochemical modeling package are summarized. Empirical sorption models as formulated in linear, Langmuir, and Freundlich isotherms will be developed as options to EQ3/6. This work will be done at LLNL. Options for modeling sorption using surface- complexation constructs (diffuse, constant capacitance, and triple-layer models) will also be developed. Development of the surface-complexation options will require part of the work be done under contract. 27 refs., 1 fig
Modelling of a diffusion-sorption experiment on sandstone
International Nuclear Information System (INIS)
Smith, P.A.
1989-11-01
The results of a diffusion-sorption experiment on a sample of Darley Dale sandstone, using simulated groundwater spiked with a mixture of 125 I, 85 Sr and 137 Cs, are modelled by a one-dimensional porous medium approach in which sorption is described by Freundlich isotherms. The governing equations are solved analytically for the special case of a linear isotherm, and numerically using the computer code RANCHDIFF for non-linear isotherms. A set of time-dependent, ordinary differential equations is obtained using the Lagrange interpolation technique and integrated by Gear's variable order predictor-corrector method. It is shown that the sorption behaviour of 85 Sr can be modelled successfully by a linear isotherm, using a sorption parameter consistent with batch-sorption tests. The behaviour of 137 Cs may be modelled by a non-linear isotherm, but the amount of 137 Cs sorbed is less than that anticipated from batch-sorption tests. 125 I is assumed to be non-sorbing and is used to determine the porosity of the sandstone. (author) 10 figs., 4 tabs., 6 refs
Searle, Shayle R
2012-01-01
This 1971 classic on linear models is once again available--as a Wiley Classics Library Edition. It features material that can be understood by any statistician who understands matrix algebra and basic statistical methods.
International Nuclear Information System (INIS)
Nagasaki, S.
2013-01-01
Based on the sorption distribution coefficients (K d ) of Cs onto granite collected from the JAERI Sorption Database (SDB), the parameters for a two-site model without the triple-layer structure were optimized. Comparing the experimentally measured K d values of Cs onto Mizunami granite carried out by JAEA with the K d values predicted by the model, the effect of the ionic strength on the K d values of Cs onto granite was evaluated. It was found that K d values could be determined using the content of biotite in granite at a sodium concentration ([Na]) of 1 x 10 -2 to 5 x 10 -1 mol/dm 3 . It was suggested that in high ionic strength solutions, the sorption of Cs onto other minerals such as microcline should also be taken into account. (author)
Energy Technology Data Exchange (ETDEWEB)
Nagasaki, S., E-mail: nagasas@mcmaster.ca [McMaster Univ., Hamilton, Ontario (Canada)
2013-07-01
Based on the sorption distribution coefficients (K{sub d}) of Cs onto granite collected from the JAERI Sorption Database (SDB), the parameters for a two-site model without the triple-layer structure were optimized. Comparing the experimentally measured K{sub d} values of Cs onto Mizunami granite carried out by JAEA with the K{sub d} values predicted by the model, the effect of the ionic strength on the K{sub d} values of Cs onto granite was evaluated. It was found that K{sub d} values could be determined using the content of biotite in granite at a sodium concentration ([Na]) of 1 x 10{sup -2} to 5 x 10{sup -1} mol/dm{sup 3} . It was suggested that in high ionic strength solutions, the sorption of Cs onto other minerals such as microcline should also be taken into account. (author)
Review of sorption models, and their suitability for use in performance assessments
International Nuclear Information System (INIS)
Harvey, K.B.
1997-02-01
The sorption of radionuclides on mineral surfaces is an important mechanism for retarding the movement of radionuclides from a geological nuclear fuel disposal vault, through the geosphere, to the biosphere. Sorption processes are known to increase the travel times for some radionuclides by 103 to 106 times relative to the groundwater flow, and this delay can provide the opportunity for radioactive decay before the radionuclide enters the biosphere. Sorption models are, or can be, used as a means of including the effects of sorption in the transport equations which describe the movement of radionuclides through the geosphere. Sorption models are, or could be, based on sorption isotherms, such as the Langmuir and Freundlich isotherms, ion-exchange models, surface-complexation models, or parametric models that are, essentially, interpolated databases. All national nuclear fuel waste disposal programs currently assume the linear adsorption isotherm, which states that the degree of sorption on a surface is a linear function of the concentration of sorbing ion in solution. The sorption models that are, or could be, applied to the movement of radionuclides in the geosphere are reviewed. It is concluded that, at the present state of knowledge, no single model has been demonstrated to provide an adequate description of radionuclide sorption. Reasons for this inadequacy vary, ranging from lack of data, through restricted ability to describe sorption under a variety of conditions, to current levels of development of the models. It is concluded that a parametric model, associated with a linear sorption isotherm, is currently the most practical choice that can be made. Following the completion of an earlier draft of this report, a new approach to surface complexation modelling, the 'discrete-log-K-spectrum' model, was published. This model appears to have the potential to achieve a synthesis of many of the concepts used in sorption modelling. For this reason, a description of
Recent progress in sorption mechanisms and models
International Nuclear Information System (INIS)
Fedoroff, M.; Lefevre, G.
2005-01-01
Full text of publication follows: Sorption-desorption phenomena play an important role in the migration of radioactive species in surface and underground waters. In order to predict the transport of these species, we need a good knowledge of sorption processes and data, together with reliable models able to be included in transport calculation. Traditional approaches based on experimentally determined distribution coefficients (Kd) and sorption isotherms have a limited predictive capability, since they are very sensitive to the numerous parameters characterizing the solution and the solid. Models based on thermodynamic equilibria were developed to account for the influence these parameters: the ion exchange model and the surface complexation models (2-pK mono-site, 1-pK multi-site, with several different electrostatic models: CCM, DLM, BSM, TLM,...). Although these models are very useful, studies performed in recent years showed that they have important theoretical and experimental limitations, which result in the fact that we must be very careful when we use them for extrapolating sorption data to long term and to large natural systems. Among all problems which can be found are: the possibility to fit a set of experimental data with different models, sometimes bad adequacy with the real sorption processes, some theoretical limitations such as a rigorous definition of reference and standard states in surface equilibria, slow kinetics which prevent from equilibrium achievement, irreversibility, solubility and evolution of solid phases... Through the increase of the number of sensitive spectroscopic methods, we are now able to know more about sorption processes at the atomic scale. Models such as the 1-pK CD-MUSIC model can account for the influence of orientation of the faces of the solid. More and more examples of the influence of this orientation on the sorption properties are known. Calculations performed by 'ab initio' modeling is also useful to predict the
A Sorption Hysteresis Model For Cellulosic Materials
DEFF Research Database (Denmark)
Frandsen, Henrik Lund; Damkilde, Lars
2006-01-01
The equilibrium concentration of adsorbed water in cellulosic materials is dependent on the history of the variations of vapor pressure in the ambient air, i.e. sorption hysteresis. Existing models to describe this phenomenon such as the independent domain theory have numerical drawbacks and....../or imply accounting for the entire history variations of every material point. This paper presents a sorption hysteresis model based on a state formulation and expressed in closed-form solutions, which makes it suitable for implementation into a numerical method....
Modeling Fission Product Sorption in Graphite Structures
International Nuclear Information System (INIS)
Szlufarska, Izabela; Morgan, Dane; Allen, Todd
2013-01-01
The goal of this project is to determine changes in adsorption and desorption of fission products to/from nuclear-grade graphite in response to a changing chemical environment. First, the project team will employ principle calculations and thermodynamic analysis to predict stability of fission products on graphite in the presence of structural defects commonly observed in very high-temperature reactor (VHTR) graphites. Desorption rates will be determined as a function of partial pressure of oxygen and iodine, relative humidity, and temperature. They will then carry out experimental characterization to determine the statistical distribution of structural features. This structural information will yield distributions of binding sites to be used as an input for a sorption model. Sorption isotherms calculated under this project will contribute to understanding of the physical bases of the source terms that are used in higher-level codes that model fission product transport and retention in graphite. The project will include the following tasks: Perform structural characterization of the VHTR graphite to determine crystallographic phases, defect structures and their distribution, volume fraction of coke, and amount of sp2 versus sp3 bonding. This information will be used as guidance for ab initio modeling and as input for sorptivity models; Perform ab initio calculations of binding energies to determine stability of fission products on the different sorption sites present in nuclear graphite microstructures. The project will use density functional theory (DFT) methods to calculate binding energies in vacuum and in oxidizing environments. The team will also calculate stability of iodine complexes with fission products on graphite sorption sites; Model graphite sorption isotherms to quantify concentration of fission products in graphite. The binding energies will be combined with a Langmuir isotherm statistical model to predict the sorbed concentration of fission products
Surface complexation modeling of zinc sorption onto ferrihydrite.
Dyer, James A; Trivedi, Paras; Scrivner, Noel C; Sparks, Donald L
2004-02-01
A previous study involving lead(II) [Pb(II)] sorption onto ferrihydrite over a wide range of conditions highlighted the advantages of combining molecular- and macroscopic-scale investigations with surface complexation modeling to predict Pb(II) speciation and partitioning in aqueous systems. In this work, an extensive collection of new macroscopic and spectroscopic data was used to assess the ability of the modified triple-layer model (TLM) to predict single-solute zinc(II) [Zn(II)] sorption onto 2-line ferrihydrite in NaNO(3) solutions as a function of pH, ionic strength, and concentration. Regression of constant-pH isotherm data, together with potentiometric titration and pH edge data, was a much more rigorous test of the modified TLM than fitting pH edge data alone. When coupled with valuable input from spectroscopic analyses, good fits of the isotherm data were obtained with a one-species, one-Zn-sorption-site model using the bidentate-mononuclear surface complex, (triple bond FeO)(2)Zn; however, surprisingly, both the density of Zn(II) sorption sites and the value of the best-fit equilibrium "constant" for the bidentate-mononuclear complex had to be adjusted with pH to adequately fit the isotherm data. Although spectroscopy provided some evidence for multinuclear surface complex formation at surface loadings approaching site saturation at pH >/=6.5, the assumption of a bidentate-mononuclear surface complex provided acceptable fits of the sorption data over the entire range of conditions studied. Regressing edge data in the absence of isotherm and spectroscopic data resulted in a fair number of surface-species/site-type combinations that provided acceptable fits of the edge data, but unacceptable fits of the isotherm data. A linear relationship between logK((triple bond FeO)2Zn) and pH was found, given by logK((triple bond FeO)2Znat1g/l)=2.058 (pH)-6.131. In addition, a surface activity coefficient term was introduced to the model to reduce the ionic strength
International Nuclear Information System (INIS)
Ochs, Michael; Ganter, Charlotte; Tachi, Yukio; Suyama, Tadahiro; Yui, Mikazu
2011-02-01
Sorption and diffusion of radionuclides in buffer materials (bentonite) are the key processes in the safe geological disposal of radioactive waste, because migration of radionuclides in this barrier is expected to be diffusion-controlled and retarded by sorption processes. It is therefore necessary to understand the detailed/coupled processes of sorption and diffusion in compacted bentonite and develop mechanistic /predictive models, so that reliable parameters can be set under a variety of geochemical conditions relevant to performance assessment (PA). For this purpose, JAEA has developed the integrated sorption and diffusion (ISD) model/database in montmorillonite/bentonite systems. The main goal of the mechanistic model/database development is to provide a tool for a consistent explanation, prediction, and uncertainty assessment of K d as well as diffusion parameters needed for the quantification of radionuclide transport. The present report focuses on developing the thermodynamic sorption model (TSM) and on the quantification and handling of model uncertainties in applications, based on illustrating by example of Ni sorption on montmorillonite/bentonite. This includes 1) a summary of the present state of the art of thermodynamic sorption modeling, 2) a discussion of the selection of surface species and model design appropriate for the present purpose, 3) possible sources and representations of TSM uncertainties, and 4) details of modeling, testing and uncertainty evaluation for Ni sorption. Two fundamentally different approaches are presented and compared for representing TSM uncertainties: 1) TSM parameter uncertainties calculated by FITEQL optimization routines and some statistical procedure, 2) overall error estimated by direct comparison of modeled and experimental K d values. The overall error in K d is viewed as the best representation of model uncertainty in ISD model/database development. (author)
Geochemical modelling of the sorption of tetravalent radioelements
International Nuclear Information System (INIS)
Bond, K.A.; Tweed, C.J.
1991-05-01
The results of an experimental study of the sorption of a range of tetravalent radioelements, plutonium (IV), tin (IV), thorium(IV) and uranium(IV), onto clay at pH8 and pH11 have been successfully simulated using a triple layer sorption model. The model has been incorporated into HARPHRQ, a geochemical program based on PHREEQE. The model has been parameterised using data for sorption onto ferric oxyhydroxide and goethite. The effects of hydroxycarboxylic acids on the sorption process have also been investigated experimentally. It was generally observed that in the presence of 2x10 -3 M gluconate, sorption was reduced by up two orders of magnitude. The model has satisfactorily simulated these lower sorptivities, through assuming competing sorption and complexation reactions. This work, therefore, further confirms the need to take account of such organic materials in safety assessment modelling. (author)
Modelling Ni diffusion in bentonite using different sorption models
International Nuclear Information System (INIS)
Pfingsten, W.; Baeyens, B.; Bradbury, M.
2010-01-01
different modelling approaches a) an analytical solution with constant Kd using a constant Ni(II) concentration level at x = 0 (e.g. at the canister surface) and zero Ni(II) initial background concentration in the bentonite, b) a numerical 'constant K d approach' taking into account the initial Ni(II) background concentration in the bentonite pore water, and c) a reactive transport approach using the code MCOTAC in one-dimensional spatial geometry with an incorporated mechanistic sorption model which includes surface proto-lysis, surface complexation and cation exchange reactions. Charge balance is explicitly formulated for the surface complexation reactions. Selectivity coefficients and surface complexation data for Ni(II) were taken from Bradbury and Baeyens (2005); the related Fe(II) data were obtained from the Linear Free Energy Relationship (LFER) contained in the same publication. The Ni(II) breakthrough in the bentonite was calculated for different Ni(II) concentration levels with and without considering competition with Fe(II) on exchange and surface complexation sites for different Fe(II) concentrations in the bentonite pore water. The comparison allows the following observations to be made: for trace Ni(II) concentrations, the numerical 'constant K d approach' yield similar results to the reactive transport approach. For higher Ni(II) concentrations, the calculated Ni(II) breakthroughs differ from each other: the reactive transport approach yields an earlier breakthrough than the numerical 'constant K d approach' for a Ni concentration level of 10 -5 M. However, for a Ni(II) concentration level of 10 -4 M, the reactive transport approach yield a later but steeper breakthrough, reaching the maximum Ni(II) concentration level earlier than the numerical 'constant K d approach'. Fe(II) competition reactions could only be taken into account using the reactive transport approach. The results yield a general dependency of the Ni
Experimental study and modelling of selenite sorption onto illite and smectite clays.
Missana, T; Alonso, U; García-Gutiérrez, M
2009-06-15
This study provides a large set of experimental selenite sorption data for pure smectite and illite. Similar sorption behavior existed in both clays: linear within a large range of the Se concentrations investigated (from 1x10(-10) to 1x10(-3) M); and independent of ionic strength. Selenite sorption was also analysed in the illite/smectite system with the clays mixed in two different proportions, as follows: (a) 30% illite-70% smectite and (b) 43% illite-57% smectite. The objective of the study was to provide the simplest model possible to fit the experimental data, a model also capable of describing selenite sorption in binary illite/smectite clay systems. Selenite sorption data, separately obtained in the single mineral systems, were modeled using both a one- and a two-site non-electrostatic model that took into account the formation of two complexes at the edge sites of the clay. Although the use of a two-site model slightly improved the fit of data at a pH below 4, the simpler one-site model reproduced satisfactorily all the sorption data from pH 3 to 8. The complexation constants obtained by fitting sorption data of the individual minerals were incorporated into a model to predict the adsorption of selenium in the illite/smectite mixtures; the model's predictions were consistent with the experimental adsorption data.
International Nuclear Information System (INIS)
2012-01-01
A central safety function of radioactive waste disposal repositories is the prevention or sufficient retardation of radionuclide migration to the biosphere. Performance assessment exercises in various countries, and for a range of disposal scenarios, have demonstrated that one of the most important processes providing this safety function is the sorption of radionuclides along potential migration paths beyond the engineered barriers. Thermodynamic sorption models (TSMs) are key for improving confidence in assumptions made about such radionuclide sorption when preparing a repository's safety case. This report presents guidelines for TSM development as well as their application in repository performance assessments. They will be of particular interest to the sorption modelling community and radionuclide migration modellers in developing safety cases for radioactive waste disposal Contents: 1 - Thermodynamic sorption models and radionuclide migration: Sorption and radionuclide migration; Applications of TSMs in radioactive waste disposal studies; Requirements for a scientifically defensible, calibrated TSM applicable to radioactive waste disposal; Current status of TSMs in radioactive waste management; 2 - Theoretical basis of TSMs and options in model development: Conceptual building blocks of TSMs and integration with aqueous chemistry; The TSM representation of sorption and relationship with Kd values; Theoretical basis of TSMs; Example of TSM for uranyl sorption; Options in TSM development; Illustration of TSM development and effects of modelling choices; Summary: TSMs for constraining Kd values - impact of modelling choices; 3 - Determination of parameters for TSMs: Overview of experimental determination of TSM parameters; Theoretical estimation methods of selected model parameters; Case study: sorption modelling of trivalent lanthanides/actinides on illite; Indicative values for certain TSM parameters; Parameter uncertainty; Illustration of parameter sensitivity
Retention/sorption and geochemical modelling
Energy Technology Data Exchange (ETDEWEB)
Arcos, D.; Grandia, F.; Domenech, C. [Enviros Spain, S.L., Barcelona (Spain); SCK-CEN, Mol (Belgium); Sellin, P. [SKB - Swedish Nuclear Fuel and Waste Management, SE, Stockholm (Sweden); Hunter, F.M.I.; Bate, F.; Heath, T.G.; Hoch, A. [Serco Assurance, Oxfordshire (United Kingdom); Werme, L.O. [SKB - Svensk Karnbranslehantering AB, Stockholm (Sweden); Bruggeman, C.; Maes, I.A.; Breynaert, E.; Vancluysen, J. [Leuven Katholieke Univ., Lab. for Colloid Chemistry (Belgium); Montavon, G.; Guo, Z. [Ecole des Mines, 44 - Nantes (France); Riebe, B.; Bunnenberg, C.; Meleshyn, A. [Leibniz Univ. Hannover, Zentrum fur Strahlenschutz und Radiookologie, Hannover (Germany); Dultz, S. [Leibniz Univ. Hannover, Institut fur Bodenkunde, Hannover (Germany)
2007-07-01
This session gathers 4 articles dealing with: the long-term geochemical evolution of the near field of a KBS-3 HLNW repository: insights from reactive transport modelling (D. Arcos, F. Grandia, C. Domenech, P. Sellin); the investigation of iron transport into bentonite from anaerobically corroding steel: a geochemical modelling study (F.M.I. Hunter, F. Bate, T.G. Heath, A. Hoch, L.O. Werme); SeO{sub 3}{sup 2-} adsorption on conditioned Na-illite: XAS spectroscopy, kinetics, surface complexation model and influence of compaction (C. Bruggeman, A. Maes, G. Montavon, E. Breynaert, Z. Guo, J. Vancluysen); the influence of temperature and gamma-irradiation on the anion sorption capacity of modified bentonites (B. Riebe, C. Bunnenberg, A. Meleshyn, S. Dultz)
Directory of Open Access Journals (Sweden)
Tanwiwat Jaikuna
2017-02-01
Full Text Available Purpose: To develop an in-house software program that is able to calculate and generate the biological dose distribution and biological dose volume histogram by physical dose conversion using the linear-quadratic-linear (LQL model. Material and methods : The Isobio software was developed using MATLAB version 2014b to calculate and generate the biological dose distribution and biological dose volume histograms. The physical dose from each voxel in treatment planning was extracted through Computational Environment for Radiotherapy Research (CERR, and the accuracy was verified by the differentiation between the dose volume histogram from CERR and the treatment planning system. An equivalent dose in 2 Gy fraction (EQD2 was calculated using biological effective dose (BED based on the LQL model. The software calculation and the manual calculation were compared for EQD2 verification with pair t-test statistical analysis using IBM SPSS Statistics version 22 (64-bit. Results: Two and three-dimensional biological dose distribution and biological dose volume histogram were displayed correctly by the Isobio software. Different physical doses were found between CERR and treatment planning system (TPS in Oncentra, with 3.33% in high-risk clinical target volume (HR-CTV determined by D90%, 0.56% in the bladder, 1.74% in the rectum when determined by D2cc, and less than 1% in Pinnacle. The difference in the EQD2 between the software calculation and the manual calculation was not significantly different with 0.00% at p-values 0.820, 0.095, and 0.593 for external beam radiation therapy (EBRT and 0.240, 0.320, and 0.849 for brachytherapy (BT in HR-CTV, bladder, and rectum, respectively. Conclusions : The Isobio software is a feasible tool to generate the biological dose distribution and biological dose volume histogram for treatment plan evaluation in both EBRT and BT.
International Nuclear Information System (INIS)
Rosskopfova, O.; Kopunec, R.; Matel, L.; Macasek, F.
1999-01-01
In this work the whey was chosen as a model solution of liquid phase for sorption study of strontium on hydroxyapatite. The whey was obtained using two methods - ultracentrifugation and precipitation of casein. The sorption was studied at a different pH and at a different concentration of calcium. The sorption of strontium on hydroxyapatite from milk was studied, too. (authors)
International Nuclear Information System (INIS)
Tachi, Yukio; Suyama, Tadahiro; Ochs, Michael
2014-01-01
To predict the long-term migration of radionuclides (RNs) under variable conditions within the framework of safety analyses for geological disposal, thermodynamic sorption models are very powerful tools. The integrated sorption and diffusion (ISD) model for compacted bentonite was developed to achieve a consistent combination of clay–water interaction, sorption, and diffusion models. The basic premise considered in the ISD model was to consistently use the same simple surface model design and parameters for describing RNs sorption/diffusion as well as clay surface and porewater chemistry. A simple 1-site non-electrostatic surface complexation model in combination with a 1-site ion exchange model was selected to keep sorption model characteristics relatively robust for compacted systems. Fundamental parameters for the proposed model were evaluated from surface titration data for purified montmorillonite. The resulting basic model was then parameterized on the basis of selected published sorption data-sets for Np(V), Am(III), and U(VI) in dispersed systems, which cover a range of key geochemical conditions such as pH, ionic strength, and carbonate concentration. The sorption trends for these RNs can be quantitatively described by the model considering a full suite of surface species including hydrolytic and carbonate species. The application of these models to the description of diffusive-sorptive transport in compacted bentonites is presented in Part 2. (author)
International Nuclear Information System (INIS)
Missana, T.; Alonso, U.; Garcia-Gutierrez, M.
2009-01-01
This study provides a large set of experimental selenite sorption data for pure smectite and illite. Similar sorption behavior existed in both clays: linear within a large range of the Se concentrations investigated and independent of ionic strength. Selenite sorption was also analysed in the illite/smectite system with the clays mixed in two different proportions. The objective of the study was to provide the simplest model possible to fit the experimental data, a model also capable of describing selenite sorption in binary illite/smectite clay systems. Selenite sorption data were modeled using both a one-and a two-site non-electrostatic model that took into account the formation of two complexes at the edge sites of the clay. The complexation constants obtained by fitting sorption data of the individual minerals were incorporated into a model to predict the adsorption of selenium in the illite/ smectite mixtures; the models predictions were consistent with the experimental adsorption data. (Author) 42 refs
Energy Technology Data Exchange (ETDEWEB)
Missana, T.; Alonso, U.; Garcia-Gutierrez, M.
2009-10-12
This study provides a large set of experimental selenite sorption data for pure smectite and illite. Similar sorption behavior existed in both clays: linear within a large range of the Se concentrations investigated and independent of ionic strength. Selenite sorption was also analysed in the illite/smectite system with the clays mixed in two different proportions. The objective of the study was to provide the simplest model possible to fit the experimental data, a model also capable of describing selenite sorption in binary illite/smectite clay systems. Selenite sorption data were modeled using both a one-and a two-site non-electrostatic model that took into account the formation of two complexes at the edge sites of the clay. The complexation constants obtained by fitting sorption data of the individual minerals were incorporated into a model to predict the adsorption of selenium in the illite/ smectite mixtures; the models predictions were consistent with the experimental adsorption data. (Author) 42 refs.
Directory of Open Access Journals (Sweden)
Amel Saad
2014-01-01
Full Text Available Desorption and adsorption equilibrium moisture isotherms of Ziziphus spina-christi leaves were determined using the gravimetric-static method at 30, 40, and 50°C for water activity (aw ranging from 0.057 to 0.898. At a given aw, the results show that the moisture content decreases with increasing temperature. A hysteresis effect was observed. The experimental data of sorption were fitted by eight models (GAB, BET, Henderson-Thompson, modified-Chung Pfost, Halsey, Oswin, Peleg, and Adam and Shove. After evaluating the models according to several criteria, the Peleg and Oswin models were found to be the most suitable for describing the sorption curves. The net isosteric heats of desorption and adsorption of Ziziphus spina-christi leaves were calculated by applying the Clausius-Clapeyron equation to the sorption isotherms and an expression for predicting these thermodynamic properties was given.
Modeling and Prediction of Soil Water Vapor Sorption Isotherms
DEFF Research Database (Denmark)
Arthur, Emmanuel; Tuller, Markus; Moldrup, Per
2015-01-01
Soil water vapor sorption isotherms describe the relationship between water activity (aw) and moisture content along adsorption and desorption paths. The isotherms are important for modeling numerous soil processes and are also used to estimate several soil (specific surface area, clay content.......93) for a wide range of soils; and (ii) develop and test regression models for estimating the isotherms from clay content. Preliminary results show reasonable fits of the majority of the investigated empirical and theoretical models to the measured data although some models were not capable to fit both sorption...... directions accurately. Evaluation of the developed prediction equations showed good estimation of the sorption/desorption isotherms for tested soils....
Model Based Control of Moisture Sorption in a Historical Interior
Directory of Open Access Journals (Sweden)
P. Zítek
2005-01-01
Full Text Available This paper deals with a novel scheme for microclimate control in historical exhibition rooms, inhibiting moisture sorption phenomena that are inadmissible from the preventive conservation point of view. The impact of air humidity is the most significant harmful exposure for a great deal of the cultural heritage deposited in remote historical buildings. Leaving the interior temperature to run almost its spontaneous yearly cycle, the proposed non-linear model-based control protects exhibits from harmful variations in moisture content by compensating the temperature drifts with an adequate adjustment of the air humidity. Already implemented in a medieval interior since 1999, the proposed microclimate control has proved capable of permanently maintaining constant a desirable moisture content in organic or porous materials in the interior of a building.
International Nuclear Information System (INIS)
Deng, Baoqing; Ge, Di; Li, Jiajia; Guo, Yuan; Kim, Chang Nyung
2013-01-01
A double-exponential surface sink model for VOCs sorption on building materials is presented. Here, the diffusion of VOCs in the material is neglected and the material is viewed as a surface sink. The VOCs concentration in the air adjacent to the material surface is introduced and assumed to always maintain equilibrium with the material-phase concentration. It is assumed that the sorption can be described by mass transfer between the room air and the air adjacent to the material surface. The mass transfer coefficient is evaluated from the empirical correlation, and the equilibrium constant can be obtained by linear fitting to the experimental data. The present model is validated through experiments in small and large test chambers. The predicted results accord well with the experimental data in both the adsorption stage and desorption stage. The model avoids the ambiguity of model constants found in other surface sink models and is easy to scale up
Faraway, Julian J
2014-01-01
A Hands-On Way to Learning Data AnalysisPart of the core of statistics, linear models are used to make predictions and explain the relationship between the response and the predictors. Understanding linear models is crucial to a broader competence in the practice of statistics. Linear Models with R, Second Edition explains how to use linear models in physical science, engineering, social science, and business applications. The book incorporates several improvements that reflect how the world of R has greatly expanded since the publication of the first edition.New to the Second EditionReorganiz
Foundations of linear and generalized linear models
Agresti, Alan
2015-01-01
A valuable overview of the most important ideas and results in statistical analysis Written by a highly-experienced author, Foundations of Linear and Generalized Linear Models is a clear and comprehensive guide to the key concepts and results of linear statistical models. The book presents a broad, in-depth overview of the most commonly used statistical models by discussing the theory underlying the models, R software applications, and examples with crafted models to elucidate key ideas and promote practical model building. The book begins by illustrating the fundamentals of linear models,
Mathematical modelling of the sorption isotherms of quince
Directory of Open Access Journals (Sweden)
Mitrevski Vangelce
2017-01-01
Full Text Available The moisture adsorption isotherms of quince were determined at four temperatures 15, 30, 45, and 60°C over a range of water activity from 0.110 to 0.920 using the standard static gravimetric method. The experimental data were fitted with generated three parameter sorption isotherm models on Mitrevski et al., and the referent Anderson model known in the scientific and engineering literature as Guggenheim- Anderson-de Boer model. In order to find which models give the best results, large number of numerical experiments was performed. After that, several statistical criteria for estimation and selection of the best sorption isotherm model was used. The performed statistical analysis shows that the generated three parameter model M11 gave the best fit to the sorption data of quince than the referent three parameter Anderson model.
Computer codes for three dimensional mass transport with non-linear sorption
International Nuclear Information System (INIS)
Noy, D.J.
1985-03-01
The report describes the mathematical background and data input to finite element programs for three dimensional mass transport in a porous medium. The transport equations are developed and sorption processes are included in a general way so that non-linear equilibrium relations can be introduced. The programs are described and a guide given to the construction of the required input data sets. Concluding remarks indicate that the calculations require substantial computer resources and suggest that comprehensive preliminary analysis with lower dimensional codes would be important in the assessment of field data. (author)
DEFF Research Database (Denmark)
Høskuldsson, Agnar
1996-01-01
Determination of the proper dimension of a given linear model is one of the most important tasks in the applied modeling work. We consider here eight criteria that can be used to determine the dimension of the model, or equivalently, the number of components to use in the model. Four of these cri......Determination of the proper dimension of a given linear model is one of the most important tasks in the applied modeling work. We consider here eight criteria that can be used to determine the dimension of the model, or equivalently, the number of components to use in the model. Four...... the basic problems in determining the dimension of linear models. Then each of the eight measures are treated. The results are illustrated by examples....
DEFF Research Database (Denmark)
Høskuldsson, Agnar
1996-01-01
Determination of the proper dimension of a given linear model is one of the most important tasks in the applied modeling work. We consider here eight criteria that can be used to determine the dimension of the model, or equivalently, the number of components to use in the model. Four...... the basic problems in determining the dimension of linear models. Then each of the eight measures are treated. The results are illustrated by examples....... of these criteria are widely used ones, while the remaining four are ones derived from the H-principle of mathematical modeling. Many examples from practice show that the criteria derived from the H-principle function better than the known and popular criteria for the number of components. We shall briefly review...
Energy Technology Data Exchange (ETDEWEB)
Powell, Brian [Clemson Univ., SC (United States); Kaplan, Daniel I [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Arai, Yuji [Univ. of Illinois, Urbana-Champaign, IL (United States); Becker, Udo [Univ. of Michigan, Ann Arbor, MI (United States); Ewing, Rod [Stanford Univ., CA (United States)
2016-12-29
This university lead SBR project is a collaboration lead by Dr. Brian Powell (Clemson University) with co-principal investigators Dan Kaplan (Savannah River National Laboratory), Yuji Arai (presently at the University of Illinois), Udo Becker (U of Michigan) and Rod Ewing (presently at Stanford University). Hypothesis: The underlying hypothesis of this work is that strong interactions of plutonium with mineral surfaces are due to formation of inner sphere complexes with a limited number of high-energy surface sites, which results in sorption hysteresis where Pu(IV) is the predominant sorbed oxidation state. The energetic favorability of the Pu(IV) surface complex is strongly influenced by positive sorption entropies, which are mechanistically driven by displacement of solvating water molecules from the actinide and mineral surface during sorption. Objectives: The overarching objective of this work is to examine Pu(IV) and Pu(V) sorption to pure metal (oxyhydr)oxide minerals and sediments using variable temperature batch sorption, X-ray absorption spectroscopy, electron microscopy, and quantum-mechanical and empirical-potential calculations. The data will be compiled into a self-consistent surface complexation model. The novelty of this effort lies largely in the manner the information from these measurements and calculations will be combined into a model that will be used to evaluate the thermodynamics of plutonium sorption reactions as well as predict sorption of plutonium to sediments from DOE sites using a component additivity approach.
Sorption isotherms: A review on physical bases, modeling and measurement
Energy Technology Data Exchange (ETDEWEB)
Limousin, G. [Atomic Energy Commission, Tracers Technology Laboratory, 38054 Grenoble Cedex (France) and Laboratoire d' etude des Transferts en Hydrologie et Environnement (CNRS-INPG-IRD-UJF), BP 53, 38041 Grenoble Cedex (France)]. E-mail: guillaumelimousin@yahoo.fr; Gaudet, J.-P. [Laboratoire d' etude des Transferts en Hydrologie et Environnement (CNRS-INPG-IRD-UJF), BP 53, 38041 Grenoble Cedex (France); Charlet, L. [Laboratoire de Geophysique Interne et Techtonophysique - CNRS-IRD-LCPC-UJF-Universite de Savoie, BP 53, 38041 Grenoble Cedex (France); Szenknect, S. [Atomic Energy Commission, Tracers Technology Laboratory, 38054 Grenoble Cedex (France); Barthes, V. [Atomic Energy Commission, Tracers Technology Laboratory, 38054 Grenoble Cedex (France); Krimissa, M. [Electricite de France, Division Recherche et Developpement, Laboratoire National d' Hydraulique et d' Environnement - P78, 6 quai Watier, 78401 Chatou (France)
2007-02-15
The retention (or release) of a liquid compound on a solid controls the mobility of many substances in the environment and has been quantified in terms of the 'sorption isotherm'. This paper does not review the different sorption mechanisms. It presents the physical bases underlying the definition of a sorption isotherm, different empirical or mechanistic models, and details several experimental methods to acquire a sorption isotherm. For appropriate measurements and interpretations of isotherm data, this review emphasizes 4 main points: (i) the adsorption (or desorption) isotherm does not provide automatically any information about the reactions involved in the sorption phenomenon. So, mechanistic interpretations must be carefully verified. (ii) Among studies, the range of reaction times is extremely wide and this can lead to misinterpretations regarding the irreversibility of the reaction: a pseudo-hysteresis of the release compared with the retention is often observed. The comparison between the mean characteristic time of the reaction and the mean residence time of the mobile phase in the natural system allows knowing if the studied retention/release phenomenon should be considered as an instantaneous reversible, almost irreversible phenomenon, or if reaction kinetics must be taken into account. (iii) When the concentration of the retained substance is low enough, the composition of the bulk solution remains constant and a single-species isotherm is often sufficient, although it remains strongly dependent on the background medium. At higher concentrations, sorption may be driven by the competition between several species that affect the composition of the bulk solution. (iv) The measurement method has a great influence. Particularly, the background ionic medium, the solid/solution ratio and the use of flow-through or closed reactor are of major importance. The chosen method should balance easy-to-use features and representativity of the studied
Performance of chromatographic systems to model soil-water sorption.
Hidalgo-Rodríguez, Marta; Fuguet, Elisabet; Ràfols, Clara; Rosés, Martí
2012-08-24
A systematic approach for evaluating the goodness of chromatographic systems to model the sorption of neutral organic compounds by soil from water is presented in this work. It is based on the examination of the three sources of error that determine the overall variance obtained when soil-water partition coefficients are correlated against chromatographic retention factors: the variance of the soil-water sorption data, the variance of the chromatographic data, and the variance attributed to the dissimilarity between the two systems. These contributions of variance are easily predicted through the characterization of the systems by the solvation parameter model. According to this method, several chromatographic systems besides the reference octanol-water partition system have been selected to test their performance in the emulation of soil-water sorption. The results from the experimental correlations agree with the predicted variances. The high-performance liquid chromatography system based on an immobilized artificial membrane and the micellar electrokinetic chromatography systems of sodium dodecylsulfate and sodium taurocholate provide the most precise correlation models. They have shown to predict well soil-water sorption coefficients of several tested herbicides. Octanol-water partitions and high-performance liquid chromatography measurements using C18 columns are less suited for the estimation of soil-water partition coefficients. Copyright © 2012 Elsevier B.V. All rights reserved.
Non linear viscoelastic models
DEFF Research Database (Denmark)
Agerkvist, Finn T.
2011-01-01
Viscoelastic eects are often present in loudspeaker suspensions, this can be seen in the displacement transfer function which often shows a frequency dependent value below the resonance frequency. In this paper nonlinear versions of the standard linear solid model (SLS) are investigated....... The simulations show that the nonlinear version of the Maxwell SLS model can result in a time dependent small signal stiness while the Kelvin Voight version does not....
Rico Rico, A.; Droge, S.T.J.|info:eu-repo/dai/nl/304834017; Hermens, J.L.M.|info:eu-repo/dai/nl/069681384
2010-01-01
The effect of the molecular structure and the salinity on the sorption of the anionic surfactant linear alkylbenzenesulfonate (LAS) to marine sediment has been studied. The analysis of several individual LAS congeners in seawater and of one specific LAS congener at different dilutions of seawater
International Nuclear Information System (INIS)
Benedicto, Ana; Degueldre, Claude; Missana, Tiziana
2014-01-01
Highlights: • Ga sorption onto illite and montmorillonite was studied and modelled for the first time. • The developed sorption model was able to well explain Ga sorption in both clays. • Number of free parameters was reduced applying the linear free energy relationship. • Cationic exchange dominate sorption at pH < 4.5; surface complexation at higher pH. - Abstract: The migration of metals as gallium (Ga) in the environment is highly influenced by their sorption on clay minerals, as montmorillonite and illite. Given the increased usage of gallium in the industry and the medicine, the Ga-associated waste may result in environmental problems. Ga sorption experiments were carried out on montmorillonite and illite colloids in a wide range of pH, ionic strength and Ga concentration. A Ga sorption model was developed combining ionic exchange and surface complexation on the edge sites (silanol and aluminol-like) of the clay sheets. The complexation constants were estimated as far as possible from the Ga hydrolysis constants applying the linear free energy relationship (LFER), which allowed to reduce the number of free parameters in the model. The Ga sorption behaviour was very similar on illite and montmorillonite: decreasing tendency with pH and dependency on ionic strength at very acidic conditions. The experimental data modelling suggests that the Ga sorption reactions avoid the Ga precipitation, which is predicted in absence of clay colloids between pH 3.5 and 5.5. Assuming this hypothesis, clay colloids would affect Ga aqueous speciation, preventing precipitation in favour of sorption. Ga sorption on montmorillonite and illite can be explained on the basis of three main reactions: Ga 3+ exchange at very acidic conditions (pH < ∼3.8); Ga(OH) 4 - complexation on protonated weak sites in acidic-neutral conditions (between pH ∼5.2 and pH ∼7.9); and Ga(OH) 3 complexation on strong sites at basic conditions (pH > ∼7.9)
Experimental measurements and integrated modelling studies of actinide sorption onto cement
International Nuclear Information System (INIS)
Sugiyama, Daisuke; Fujita, Tomonari; Baston, G.M.N.
2003-01-01
An Integrated Cement Sorption Model (ICSM) for actinides onto Ordinary Portland Cement (OPC) is developed. The experimental measurements using the batch sorption technique for actinides onto cement and constituent minerals, which were considered in the modelling calculations, are also described. The actinide elements studied (thorium, uranium, neptunium, plutonium and americium) were strongly sorbed onto OPC. An initial comparison of the experimental data relating the sorption values of actinides onto cement-component phases with those onto OPC is carried out. The results suggest that the Calcium Silicate Hydrate (C-S-H) phases were found to be the most likely candidates to be the dominant-sorbing phases in order to describe the sorption of a actinides onto OPC. An approach to develop the integrated cement sorption model, based on a thermodynamic surface complexation model, is described with discussions on the possible mineralogy and phase distribution of OPC. Another approach than sorption, assuming that co-precipitation on the surface of the cement phase dominates 'sorption', is proposed and discussed. A scoring system is introduced to assess the applicability of the proposed ICSMs. It is suggested that the thermodynamic sorption model is recommended for the sorption of ionic species and the surface co-precipitation model is recommended for the sorption of neutral species though the sorption model is still recommended to be used to model OPC-based systems. (author)
Diffusion and sorption on hardened cement pastes - experiments and modelling results
Energy Technology Data Exchange (ETDEWEB)
Jakob, A.; Sarott, F.-A.; Spieler, P.
1999-08-01
Large parts of repositories for low and intermediate level radioactive waste consist of cementitious materials. Radionuclides are transported by diffusion in the cement matrix or, in case of fractured or highly permeable cement, by advection and dispersion. In this work we aim at a mechanistic understanding of diffusion processes of some reactive tracers. On the laboratory scale, ten through-diffusion experiments were performed to study these processes for Cl{sup -}, I{sup -}, Cs{sup +} and Ni{sup 2+} ions in a Sulphate Resisting Portland Cement (SRPC) equilibrated with an artificial pore water. Some of the experiments continued up to nearly three years with daily measurements. In all the experiments, a cement disk initially saturated with an artificial pore water was exposed on one side to a highly diluted solution containing the species of interest. On the second side, a near-zero concentration boundary was maintained to drive through-diffusion of the tracer. The changes of concentrations on both sides of the samples were monitored, allowing careful mass balances. From these data, values of the diffusive flux and the mass of tracer taken up by the cementitious material were determined as a function of time. In the subsequent modelling, the time histories of these tracer breakthroughs were fitted using five different models. The simplest model neglects all retarding mechanisms except pure diffusion. More complex models either account for instantaneous equilibrium sorption in form of linear or non-linear (Freundlich) sorption or for first-order sorption kinetics where the forward reaction may be linear or non-linear according to the Freundlich isotherm, while the back-reaction is linear. Hence, the analysis allows the extraction of the diffusion coefficient and parameter values for the sorption isotherm or rate-constants for sorption and desorption. The fits to the experimental data were carried out by an automated Marquardt-Levenberg procedure yielding error
Monahan, John F
2008-01-01
Preface Examples of the General Linear Model Introduction One-Sample Problem Simple Linear Regression Multiple Regression One-Way ANOVA First Discussion The Two-Way Nested Model Two-Way Crossed Model Analysis of Covariance Autoregression Discussion The Linear Least Squares Problem The Normal Equations The Geometry of Least Squares Reparameterization Gram-Schmidt Orthonormalization Estimability and Least Squares Estimators Assumptions for the Linear Mean Model Confounding, Identifiability, and Estimability Estimability and Least Squares Estimators F
Experimental studies of Cs, Sr, Ni, and Eu sorption on Na-illite and the modelling of Cs sorption
International Nuclear Information System (INIS)
Poinssot, C.; Baeyens, B.; Bradbury, M.H.
1999-08-01
A natural illite (illite du Puy) was purified and converted to the homo-ionic Na-form. The conditioned Na-illite was characterised in terms of its mineralogy, chemical inventory and physico-chemical properties. The structural formula was determined from energy dispersive spectroscopic analyses (SEM/TEM-EDS) and bulk chemistry measurements. A cation exchange capacity of 127 meq kg -1 was determined by the 22 Na isotope dilution method at neutral pH. The Na-CEC was also measured as a function of pH. The stability of Na-illite as a function of pH in the range between 3 and 6 was investigated. At low pH values partial dissolution of the illite occurs releasing the structural elements Al, Si, Mg, and K into solution. The presence of Ca and Sr in solution was interpreted as being due to desorption from cation exchange sites. All of these elements are also present at neutral pH but at considerably lower levels. Such effects cannot be avoided and must be considered in the interpretation of the sorption measurements. The main focus of the experimental work presented here is on the sorption behaviour of Cs, Sr, Ni and Eu on conditioned Na-illite as a function of NaClO 4 background electrolyte concentration (0.1 and 0.01 M), nuclide concentration and pH in the range between 3 and 11. Sorption edge data (R d versus pH) and sorption isotherms (quantity of nuclide sorbed versus equilibrium nuclide concentration) are presented for these four elements. Prior to beginning these experiments, sorption kinetics were measured. The broad based pool of sorption measurements generated from this work will provide the source data sets for subsequent modelling. So far only the Cs sorption measurements have been modelled. A two site cation exchange model was developed to describe the sorption of Cs over the whole range of experimental conditions. The two site types were termed 'frayed edge sites' (FES, high affinity/low capacity) and 'type II sites' (low affinity/high capacity). Selectivity
International Nuclear Information System (INIS)
Polzer, W.L.; Fuentes, H.R.; Essington, E.H.; Roensch, F.R.
1985-01-01
Sorption isotherms are derived from batch equilibrium data for cobalt, cesium and strontium on Bandelier Tuff. Experiments were conducted at an average temperature of 23 0 C and equilibrium was defined at 48 hours. The solute concentrations ranged from 0 to 500 mg/L. The radioactive isotopes 60 Co, 137 Cs, and 85 Sr were used to trace the sorption of the stable solutes. The Linear, Langmuir, Freundlich and a Modified Freundlich isotherm equations are evaluated. The Modified Freundlich isotherm equation is validated as a preferred general mathematical tool for representing the sorption of the three solutes. The empirical constants derived from the Modified Freundlich isotherm equation indicate that under dynamic flow conditions strontium will move most rapidly and cobalt least rapidly. On the other hand, chemical dispersion will be greatest for cesium and least for strontium. Hill Plots of the sorption data suggest that in the region of low saturation sorption of all three solutes is impeded by interactions among sorption sites; cobalt exhibits the greatest effect of interactions and strontium shows only a minimal effect. In the saturation region of 50% or more, sorption of cobalt is enhanced slightly by interactions among sorption sites whereas sorption of cesium and strontium appears to be independent of site interactions. 9 references, 4 figures, 2 tables
Campagnoli, Patrizia; Petris, Giovanni
2009-01-01
State space models have gained tremendous popularity in as disparate fields as engineering, economics, genetics and ecology. Introducing general state space models, this book focuses on dynamic linear models, emphasizing their Bayesian analysis. It illustrates the fundamental steps needed to use dynamic linear models in practice, using R package.
Modeling of Cd(II) sorption on mixed oxide
International Nuclear Information System (INIS)
Waseem, M.; Mustafa, S.; Naeem, A.; Shah, K.H.; Hussain, S.Y.; Safdar, M.
2011-01-01
Mixed oxide of iron and silicon (0.75 M Fe(OH)3:0.25 M SiO/sub 2/) was synthesized and characterized by various techniques like surface area analysis, point of zero charge (PZC), energy dispersive X-rays (EDX) spectroscopy, Thermogravimetric and differential thermal analysis (TG-DTA), Fourier transform infrared spectroscopy (FTIR) and X-rays diffraction (XRD) analysis. The uptake of Cd/sup 2+/ ions on mixed oxide increased with pH, temperature and metal ion concentration. Sorption data have been interpreted in terms of both Langmuir and Freundlich models. The Xm values at pH 7 are found to be almost twice as compared to pH 5. The values of both DH and DS were found to be positive indicating that the sorption process was endothermic and accompanied by the dehydration of Cd/sup 2+/. Further, the negative value of DG confirms the spontaneity of the reaction. The ion exchange mechanism was suggested to take place for each Cd/sup 2+/ ions at pH 5, whereas ion exchange was found coupled with non specific adsorption of metal cations at pH 7. (author)
International Nuclear Information System (INIS)
Hammond, Glenn E.; Cygan, Randall Timothy
2007-01-01
Within reactive geochemical transport, several conceptual models exist for simulating sorption processes in the subsurface. Historically, the K D approach has been the method of choice due to ease of implementation within a reactive transport model and straightforward comparison with experimental data. However, for modeling complex sorption phenomenon (e.g. sorption of radionuclides onto mineral surfaces), this approach does not systematically account for variations in location, time, or chemical conditions, and more sophisticated methods such as a surface complexation model (SCM) must be utilized. It is critical to determine which conceptual model to use; that is, when the material variation becomes important to regulatory decisions. The geochemical transport tool GEOQUIMICO has been developed to assist in this decision-making process. GEOQUIMICO provides a user-friendly framework for comparing the accuracy and performance of sorption conceptual models. The model currently supports the K D and SCM conceptual models. The code is written in the object-oriented Java programming language to facilitate model development and improve code portability. The basic theory underlying geochemical transport and the sorption conceptual models noted above is presented in this report. Explanations are provided of how these physicochemical processes are instrumented in GEOQUIMICO and a brief verification study comparing GEOQUIMICO results to data found in the literature is given
Sorption of organic compounds to activated carbons. Evaluation of isotherm models
Pikaar, I.; Koelmans, A.A.; Noort, van P.C.M.
2006-01-01
Sorption to 'hard carbon' (black carbon, coal, kerogen) in soils and sediments is of major importance for risk assessment of organic pollutants. We argue that activated carbon (AC) may be considered a model sorbent for hard carbon. Here, we evaluate six sorption models on a literature dataset for
Introduction to generalized linear models
Dobson, Annette J
2008-01-01
Introduction Background Scope Notation Distributions Related to the Normal Distribution Quadratic Forms Estimation Model Fitting Introduction Examples Some Principles of Statistical Modeling Notation and Coding for Explanatory Variables Exponential Family and Generalized Linear Models Introduction Exponential Family of Distributions Properties of Distributions in the Exponential Family Generalized Linear Models Examples Estimation Introduction Example: Failure Times for Pressure Vessels Maximum Likelihood Estimation Poisson Regression Example Inference Introduction Sampling Distribution for Score Statistics Taylor Series Approximations Sampling Distribution for MLEs Log-Likelihood Ratio Statistic Sampling Distribution for the Deviance Hypothesis Testing Normal Linear Models Introduction Basic Results Multiple Linear Regression Analysis of Variance Analysis of Covariance General Linear Models Binary Variables and Logistic Regression Probability Distributions ...
Energy Technology Data Exchange (ETDEWEB)
Foerstendorf, Harald; Stockmann, Madlen; Heim, Karsten; Mueller, Katharina; Brendler, Vinzenz [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes; Comarmond, M.J.; Payne, T.E. [Australian Nuclear Science and Technology Organisation, Lucas Heights (Australia); Steudtner, Robin [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Inst. of Resource Ecology
2017-06-01
Spectroscopic data of sorption processes potentially provide direct impact on Surface Complexation Modelling (SCM) approaches. Based on spectroscopic data of the ternary sorption system U(VI)/phosphate/silica strongly suggesting the formation of a precipitate as the predominant surface process, SCM calculations accurately reproduced results from classical batch experiments.
International Nuclear Information System (INIS)
Foerstendorf, Harald; Stockmann, Madlen; Heim, Karsten; Mueller, Katharina; Brendler, Vinzenz; Steudtner, Robin
2017-01-01
Spectroscopic data of sorption processes potentially provide direct impact on Surface Complexation Modelling (SCM) approaches. Based on spectroscopic data of the ternary sorption system U(VI)/phosphate/silica strongly suggesting the formation of a precipitate as the predominant surface process, SCM calculations accurately reproduced results from classical batch experiments.
(Non) linear regression modelling
Cizek, P.; Gentle, J.E.; Hardle, W.K.; Mori, Y.
2012-01-01
We will study causal relationships of a known form between random variables. Given a model, we distinguish one or more dependent (endogenous) variables Y = (Y1,…,Yl), l ∈ N, which are explained by a model, and independent (exogenous, explanatory) variables X = (X1,…,Xp),p ∈ N, which explain or
Ochs, M.; Davis, J.A.; Olin, M.; Payne, T.E.; Tweed, C.J.; Askarieh, M.M.; Altmann, S.
2006-01-01
For the safe final disposal and/or long-term storage of radioactive wastes, deep or near-surface underground repositories are being considered world-wide. A central safety feature is the prevention, or sufficient retardation, of radionuclide (RN) migration to the biosphere. To this end, radionuclide sorption is one of the most important processes. Decreasing the uncertainty in radionuclide sorption may contribute significantly to reducing the overall uncertainty of a performance assessment (PA). For PA, sorption is typically characterised by distribution coefficients (Kd values). The conditional nature of Kd requires different estimates of this parameter for each set of geochemical conditions of potential relevance in a RN's migration pathway. As it is not feasible to measure sorption for every set of conditions, the derivation of Kd for PA must rely on data derived from representative model systems. As a result, uncertainty in Kd is largely caused by the need to derive values for conditions not explicitly addressed in experiments. The recently concluded NEA Sorption Project [1] showed that thermodynamic sorption models (TSMs) are uniquely suited to derive K d as a function of conditions, because they allow a direct coupling of sorption with variable solution chemistry and mineralogy in a thermodynamic framework. The results of the project enable assessment of the suitability of various TSM approaches for PA-relevant applications as well as of the potential and limitations of TSMs to model RN sorption in complex systems. ?? by Oldenbourg Wissenschaftsverlag.
New approach in modeling Cr(VI) sorption onto biomass from metal binary mixtures solutions
Energy Technology Data Exchange (ETDEWEB)
Liu, Chang [College of Environmental Science and Engineering, Anhui Normal University, South Jiuhua Road, 189, 241002 Wuhu (China); Chemical Engineering Department, Escola Politècnica Superior, Universitat de Girona, Ma Aurèlia Capmany, 61, 17071 Girona (Spain); Fiol, Núria [Chemical Engineering Department, Escola Politècnica Superior, Universitat de Girona, Ma Aurèlia Capmany, 61, 17071 Girona (Spain); Villaescusa, Isabel, E-mail: Isabel.Villaescusa@udg.edu [Chemical Engineering Department, Escola Politècnica Superior, Universitat de Girona, Ma Aurèlia Capmany, 61, 17071 Girona (Spain); Poch, Jordi [Applied Mathematics Department, Escola Politècnica Superior, Universitat de Girona, Ma Aurèlia Capmany, 61, 17071 Girona (Spain)
2016-01-15
In the last decades Cr(VI) sorption equilibrium and kinetic studies have been carried out using several types of biomasses. However there are few researchers that consider all the simultaneous processes that take place during Cr(VI) sorption (i.e., sorption/reduction of Cr(VI) and simultaneous formation and binding of reduced Cr(III)) when formulating a model that describes the overall sorption process. On the other hand Cr(VI) scarcely exists alone in wastewaters, it is usually found in mixtures with divalent metals. Therefore, the simultaneous removal of Cr(VI) and divalent metals in binary mixtures and the interactive mechanism governing Cr(VI) elimination have gained more and more attention. In the present work, kinetics of Cr(VI) sorption onto exhausted coffee from Cr(VI)–Cu(II) binary mixtures has been studied in a stirred batch reactor. A model including Cr(VI) sorption and reduction, Cr(III) sorption and the effect of the presence of Cu(II) in these processes has been developed and validated. This study constitutes an important advance in modeling Cr(VI) sorption kinetics especially when chromium sorption is in part based on the sorbent capacity of reducing hexavalent chromium and a metal cation is present in the binary mixture. - Highlights: • A kinetic model including Cr(VI) reduction, Cr(VI) and Cr(III) sorption/desorption • Synergistic effect of Cu(II) on Cr(VI) elimination included in the model • Model validation by checking it against independent sets of data.
New approach in modeling Cr(VI) sorption onto biomass from metal binary mixtures solutions
International Nuclear Information System (INIS)
Liu, Chang; Fiol, Núria; Villaescusa, Isabel; Poch, Jordi
2016-01-01
In the last decades Cr(VI) sorption equilibrium and kinetic studies have been carried out using several types of biomasses. However there are few researchers that consider all the simultaneous processes that take place during Cr(VI) sorption (i.e., sorption/reduction of Cr(VI) and simultaneous formation and binding of reduced Cr(III)) when formulating a model that describes the overall sorption process. On the other hand Cr(VI) scarcely exists alone in wastewaters, it is usually found in mixtures with divalent metals. Therefore, the simultaneous removal of Cr(VI) and divalent metals in binary mixtures and the interactive mechanism governing Cr(VI) elimination have gained more and more attention. In the present work, kinetics of Cr(VI) sorption onto exhausted coffee from Cr(VI)–Cu(II) binary mixtures has been studied in a stirred batch reactor. A model including Cr(VI) sorption and reduction, Cr(III) sorption and the effect of the presence of Cu(II) in these processes has been developed and validated. This study constitutes an important advance in modeling Cr(VI) sorption kinetics especially when chromium sorption is in part based on the sorbent capacity of reducing hexavalent chromium and a metal cation is present in the binary mixture. - Highlights: • A kinetic model including Cr(VI) reduction, Cr(VI) and Cr(III) sorption/desorption • Synergistic effect of Cu(II) on Cr(VI) elimination included in the model • Model validation by checking it against independent sets of data
Explorative methods in linear models
DEFF Research Database (Denmark)
Høskuldsson, Agnar
2004-01-01
The author has developed the H-method of mathematical modeling that builds up the model by parts, where each part is optimized with respect to prediction. Besides providing with better predictions than traditional methods, these methods provide with graphic procedures for analyzing different feat...... features in data. These graphic methods extend the well-known methods and results of Principal Component Analysis to any linear model. Here the graphic procedures are applied to linear regression and Ridge Regression....
Kinetics and equilibrium modeling of uranium(VI) sorption by bituminous shale from aqueous solution
International Nuclear Information System (INIS)
Ortaboy, Sinem; Atun, Gülten
2014-01-01
Highlights: • Oil shales are sedimentary rocks containing a polymeric matter in a mineral matrix. • Sorption potential of bituminous shale (BS) for uranium recovery was investigated. • U(VI) sorption increased with decreasing pH and increasing temperature. • Kinetic data were analyzed based on single and two resistance diffusion models. • The results fit well to the McKay equation assuming film and intraparticle diffusion. - Abstract: Sorption of U(VI) onto a bituminous shale (BS) from a nuclear power plant project site in Black Sea region was investigated for potential risk assessment when it releases into the environment with contaminated ground and surface water. The sorption characteristics of the BS for U(VI) recovery were evaluated as a function of contact time, adsorbent dosage, initial concentration, pH and temperature. Kinetic results fit better with pseudo-second-order model rather than pseudo-first-order. The possibility of diffusion process was analyzed based on Weber–Morris intra-particle diffusion model. The McKay equation assuming film- and intraparticle diffusion better predicted the data than the Vermeulen approximation presuming surface diffusion. Equilibrium sorption data were modeled according to the Langmuir, Dubinin–Radushkevich (D–R) and Freundlich isotherm equations. Sorption capacity increased from 0.10 to 0.15 mmol g −1 in 298–318 K temperature range. FT-IR analysis and pH dependent sorption studies conducted in hydroxide and carbonate media revealed that U(VI) species were sorbed in uranyl and its hydroxo forms on the BS. Desorption studies showed that U(VI) leaching with Black Sea water was negligible from the loaded BS. The activation parameters (E a , ΔH ∗ and ΔG ∗ ) estimated from diffusion coefficients indicated the presence of an energy barrier in the sorption system. However, thermodynamic functions derived from sorption equilibrium constants showed that overall sorption process was spontaneous in nature
A new safety assessment model for shallow land burial of LLW based on multicomponent sorption theory
International Nuclear Information System (INIS)
Katoh, N.; Asano, T.; Tasaka, H.
1984-01-01
A new model on the radionuclide migration in underground environment is developed based on ''multicomponent sorption theory''. The model is capable of predicting the behaviors of the coexisting materials in soil-ground water system as ''multicomponent sorption phenomena'' and also predicting the radinuclide migration affected by the changes of concentrations of coexisting materials. The model is not a ''statistical model'' but a ''chemical model'' based on the ''ion exchange theory'' and ''adsorption theory''. Additionally, the model is a ''kinetic model'' capable of estimating the effect of ''rate of sorption'' on the radionuclide migration. The validity of the model was checked by the results of column experiments for sorption. Finally, sample calculations on the radionuclide migration in reference shallow land burial site were carried out for demonstration
Generalized, Linear, and Mixed Models
McCulloch, Charles E; Neuhaus, John M
2011-01-01
An accessible and self-contained introduction to statistical models-now in a modernized new editionGeneralized, Linear, and Mixed Models, Second Edition provides an up-to-date treatment of the essential techniques for developing and applying a wide variety of statistical models. The book presents thorough and unified coverage of the theory behind generalized, linear, and mixed models and highlights their similarities and differences in various construction, application, and computational aspects.A clear introduction to the basic ideas of fixed effects models, random effects models, and mixed m
Sorption Modeling and Verification for Off-Gas Treatment
Energy Technology Data Exchange (ETDEWEB)
Tavlarides, Lawrence [Syracuse Univ., NY (United States); Yiacoumi, Sotira [Georgia Inst. of Technology, Atlanta, GA (United States); Tsouris, Costas [Georgia Inst. of Technology, Atlanta, GA (United States); Gabitto, Jorge [Prairie View Texas A& M; DePaoli, David [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2016-12-20
processes. These models were built on a numerical framework for solving conservation law problems in one-dimensional geometries such as spheres, cylinders, and lines. Coupled with the framework are specific models for adsorption in commercial adsorbents, such as zeolites and mordenites. Utilizing this modeling approach, the authors were able to accurately describe and predict adsorption kinetic data obtained from experiments at a variety of different temperatures and gas phase concentrations. A demonstration of how these models, and framework, can be used to simulate adsorption in fixed- bed columns is provided. The CO_{2} absorption work involved modeling with supportive experimental information. A dynamic model was developed to simulate CO_{2} absorption using high alkaline content water solutions. The model is based upon transient mass and energy balances for chemical species commonly present in CO_{2} absorption. A computer code was developed to implement CO_{2} absorption with a chemical reaction model. Experiments were conducted in a laboratory scale column to determine the model parameters. The influence of geometric parameters and operating variables on CO_{2} absorption was studied over a wide range of conditions. Continuing work could employ the model to control column operation and predict the absorption behavior under various input conditions and other prescribed experimental perturbations. The value of the validated models and numerical frameworks developed in this project is that they can be used to predict the sorption behavior of off-gas evolved during the reprocessing of nuclear waste and thus reduce the cost of the experiments. They can also be used to design sorption processes based on concentration limits and flow-rates determined at the plant level.
Limitations of sorption isotherms on modeling groundwater contaminant transport
International Nuclear Information System (INIS)
Silva, Eduardo Figueira da
2007-01-01
Design and safety assessment of radioactive waste repositories, as well as remediation of radionuclide contaminated groundwater require the development of models capable of accurately predicting trace element fate and transport. Adsorption of trace radionuclides onto soils and groundwater is an important mechanism controlling near- and far- field transport. Although surface complexation models (SCMs) can better describe the adsorption mechanisms of most radionuclides onto mineral surfaces by directly accounting for variability of system properties and mineral surface properties, isotherms are still used to model contaminant transport in groundwater, despite the much higher system dependence. The present work investigates differences between transport model results based on these two approaches for adsorption modeling. A finite element transport model is used for the isotherm model, whereas the computer program PHREEQC is used for the SCM approach. Both models are calibrated for a batch experiment, and one-dimensional transport is simulated using the calibrated parameters. At the lower injected concentrations there are large discrepancies between SCM and isotherm transport predictions, with the SCM presenting much longer tails on the breakthrough curves. Isotherms may also provide non-conservative results for time to breakthrough and for maximum concentration in a contamination plume. Isotherm models are shown not to be robust enough to predict transport behavior of some trace elements, thus discouraging their use. The results also illustrate the promise of the SCM modeling approach in safety assessment and environmental remediation applications, also suggesting that independent batch sorption measurements can be used, within the framework of the SCM, to produce a more versatile and realistic groundwater transport model for radionuclides which is capable of accounting more accurately for temporal and spatial variations in geochemical conditions. (author)
Three-parameter modeling of the soil sorption of acetanilide and triazine herbicide derivatives.
Freitas, Mirlaine R; Matias, Stella V B G; Macedo, Renato L G; Freitas, Matheus P; Venturin, Nelson
2014-02-01
Herbicides have widely variable toxicity and many of them are persistent soil contaminants. Acetanilide and triazine family of herbicides have widespread use, but increasing interest for the development of new herbicides has been rising to increase their effectiveness and to diminish environmental hazard. The environmental risk of new herbicides can be accessed by estimating their soil sorption (logKoc), which is usually correlated to the octanol/water partition coefficient (logKow). However, earlier findings have shown that this correlation is not valid for some acetanilide and triazine herbicides. Thus, easily accessible quantitative structure-property relationship models are required to predict logKoc of analogues of the these compounds. Octanol/water partition coefficient, molecular weight and volume were calculated and then regressed against logKoc for two series of acetanilide and triazine herbicides using multiple linear regression, resulting in predictive and validated models.
Sparse Linear Identifiable Multivariate Modeling
DEFF Research Database (Denmark)
Henao, Ricardo; Winther, Ole
2011-01-01
and bench-marked on artificial and real biological data sets. SLIM is closest in spirit to LiNGAM (Shimizu et al., 2006), but differs substantially in inference, Bayesian network structure learning and model comparison. Experimentally, SLIM performs equally well or better than LiNGAM with comparable......In this paper we consider sparse and identifiable linear latent variable (factor) and linear Bayesian network models for parsimonious analysis of multivariate data. We propose a computationally efficient method for joint parameter and model inference, and model comparison. It consists of a fully...
Water sorption kinetics of damaged beans: GAB model
Directory of Open Access Journals (Sweden)
Fernanda M. Baptestini
Full Text Available ABSTRACT The objective of this study was to model the water sorption kinetics of damaged beans. Grains with initial moisture content of 53.85%, dry basis (d.b., were used. One portion of the grains was used to obtain desorption isotherms, while the other was subjected to drying until the moisture content of 5.26% (d.b., so that it was subjected to the adsorption. For the induction of damage, a Stein Breakage Tester was used. To obtain the equilibrium moisture content, grains were placed in a climatic chamber at 20, 30, 40 and 50 ± 1 °C combined with relative humidity of 30, 40, 50, 70 and 90 ± 3%. The GAB model fitted well to the equilibrium moisture experimental data of damaged grains and control. With increasing temperature, the monolayer moisture contents decreased in adsorption and desorption processes, ranging from 9.84 to 5.10% d.b. The lower moisture content in the monolayer in damaged grains indicates that lower moisture content is necessary to ensure their conservation.
Models of sorption and migration of radionuclides in geologic media
International Nuclear Information System (INIS)
Fukui, Masami
1987-01-01
Full understanding of the transportation of nuclides by groundwater is essential in designing an underground radioactive waste disposal site. What is the most important is to clarify in detail the process of sorption of nuclides by rock and soil. This report outlines various theories and experimental data that are currently available. In addition, studies made in various countries are reviewed and some problems are pointed out. First, a review is made of studies that deal with adsorption and behaviors of contaminants in natural barriers (rock, soil). Next, migration models that have been developed in studying migration processes in the field of chemical engineering or behaviors of agricultural chemicals in the field of soil physics are examined to see if they can be applied to investigations of the migration of radioactive contaminants in a porous medium. Finally, a review is made of basic underground migration models that are used in various countries in studying deep underground disposal of long-life radionuclides. Some laboratory experiments on TRU nuclides in rock are also outlined. (Nogami, K.)
Energy Technology Data Exchange (ETDEWEB)
Bok, Frank [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes
2017-06-01
Surface complexation models have made great efforts in describing the sorption of various radionuclides on naturally occurring mineral phases. Unfortunately, many of the published sorption parameter sets are built upon unrealistic or even wrong surface chemistry. This work describes the benefit of combining spectroscopic and batch sorption experimental data to create a reliable and consistent surface complexation parameter set.
Validation of water sorption-based clay prediction models for calcareous soils
DEFF Research Database (Denmark)
Arthur, Emmanuel; Razzaghi, Fatemeh; Moosavi, Ali
2017-01-01
on prediction accuracy. The soils had clay content ranging from 9 to 61% and CaCO3 from 24 to 97%. The three water sorption models considered showed a reasonably fair prediction of the clay content from water sorption at 28% relative humidity (RMSE and ME values ranging from 10.6 to 12.1 and −8.1 to −4......Soil particle size distribution (PSD), particularly the active clay fraction, mediates soil engineering, agronomic and environmental functions. The tedious and costly nature of traditional methods of determining PSD prompted the development of water sorption-based models for determining the clay...... fraction. The applicability of such models to semi-arid soils with significant amounts of calcium carbonate and/or gypsum is unknown. The objective of this study was to validate three water sorption-based clay prediction models for 30 calcareous soils from Iran and identify the effect of CaCO3...
Sorption models and their application in environmental samples
International Nuclear Information System (INIS)
Kamel, Nariman H.M.
2008-01-01
Full text: Naturally occurring radioactive materials (NORM) were found in some environmental soils not high enough to pose problems for human health. The health may be affected by increasing of NORM at some environmental soils. Four soil samples obtained from certain coastal regions in Egypt. Naturally occurring radioactive materials (NORM) of the uranium ( 238 U) series, thorium ( 232 Th) series and the radioactive isotope of potassium ( 40 K) were measured. The soil samples were selected from the situations where the radionuclide concentrations are significantly higher than the average level of other sites. It were chemically analyzed for the uranium, silicon aluminum and iron. The cation exchange capacity (CEC) were determined, it was found lower in the presence of Fe-silicates suggested that Fe-hydroxide had precipitin at the exchangeable edge sites of the clay minerals. The pH of the solid particles at which the net total surface charge is zero was known as the point of zero charge (PZC). The PZC is very important in determining the affinity of the soil samples for different cations and anions. The aim of this work is to determine the natural radiological hazardous of radionuclide at four environmental coastal soil samples in Egypt. The point of zero surface charge was determined using titration tests. Sorption model was developed for this purpose. (author)
Parameterized Linear Longitudinal Airship Model
Kulczycki, Eric; Elfes, Alberto; Bayard, David; Quadrelli, Marco; Johnson, Joseph
2010-01-01
A parameterized linear mathematical model of the longitudinal dynamics of an airship is undergoing development. This model is intended to be used in designing control systems for future airships that would operate in the atmospheres of Earth and remote planets. Heretofore, the development of linearized models of the longitudinal dynamics of airships has been costly in that it has been necessary to perform extensive flight testing and to use system-identification techniques to construct models that fit the flight-test data. The present model is a generic one that can be relatively easily specialized to approximate the dynamics of specific airships at specific operating points, without need for further system identification, and with significantly less flight testing. The approach taken in the present development is to merge the linearized dynamical equations of an airship with techniques for estimation of aircraft stability derivatives, and to thereby make it possible to construct a linearized dynamical model of the longitudinal dynamics of a specific airship from geometric and aerodynamic data pertaining to that airship. (It is also planned to develop a model of the lateral dynamics by use of the same methods.) All of the aerodynamic data needed to construct the model of a specific airship can be obtained from wind-tunnel testing and computational fluid dynamics
Energy Technology Data Exchange (ETDEWEB)
Puukko, E.; Hakanen, M. [Univ. of Helsinki (Finland). Dept. of Chemistry. Lab. of Radiochemistry
1997-09-01
The aim of the work was to study the sorption behaviour of Ni on quartz, goethite and kaolinite at different pH levels and in different electrolyte solutions of different strength. In addition preliminary experiments were made to study the sorption of thorium on quartz. The MUS quartz and Nilsiae quartz were analysed for MnO{sub 2} by neutron activation analysis (NAA) and the experimental results were modelled with the HYDRAQL computer model. 9 refs.
SITE-94. Adaptation of mechanistic sorption models for performance assessment calculations
International Nuclear Information System (INIS)
Arthur, R.C.
1996-10-01
Sorption is considered in most predictive models of radionuclide transport in geologic systems. Most models simulate the effects of sorption in terms of empirical parameters, which however can be criticized because the data are only strictly valid under the experimental conditions at which they were measured. An alternative is to adopt a more mechanistic modeling framework based on recent advances in understanding the electrical properties of oxide mineral-water interfaces. It has recently been proposed that these 'surface-complexation' models may be directly applicable to natural systems. A possible approach for adapting mechanistic sorption models for use in performance assessments, using this 'surface-film' concept, is described in this report. Surface-acidity parameters in the Generalized Two-Layer surface complexation model are combined with surface-complexation constants for Np(V) sorption ob hydrous ferric oxide to derive an analytical model enabling direct calculation of corresponding intrinsic distribution coefficients as a function of pH, and Ca 2+ , Cl - , and HCO 3 - concentrations. The surface film concept is then used to calculate whole-rock distribution coefficients for Np(V) sorption by altered granitic rocks coexisting with a hypothetical, oxidized Aespoe groundwater. The calculated results suggest that the distribution coefficients for Np adsorption on these rocks could range from 10 to 100 ml/g. Independent estimates of K d for Np sorption in similar systems, based on an extensive review of experimental data, are consistent, though slightly conservative, with respect to the calculated values. 31 refs
International Nuclear Information System (INIS)
Kumar, K. Vasanth; Porkodi, K.; Rocha, F.
2008-01-01
A comparison of linear and non-linear regression method in selecting the optimum isotherm was made to the experimental equilibrium data of methylene blue sorption by activated carbon. The r 2 was used to select the best fit linear theoretical isotherm. In the case of non-linear regression method, six error functions, namely coefficient of determination (r 2 ), hybrid fractional error function (HYBRID), Marquardt's percent standard deviation (MPSD), average relative error (ARE), sum of the errors squared (ERRSQ) and sum of the absolute errors (EABS) were used to predict the parameters involved in the two and three parameter isotherms and also to predict the optimum isotherm. For two parameter isotherm, MPSD was found to be the best error function in minimizing the error distribution between the experimental equilibrium data and predicted isotherms. In the case of three parameter isotherm, r 2 was found to be the best error function to minimize the error distribution structure between experimental equilibrium data and theoretical isotherms. The present study showed that the size of the error function alone is not a deciding factor to choose the optimum isotherm. In addition to the size of error function, the theory behind the predicted isotherm should be verified with the help of experimental data while selecting the optimum isotherm. A coefficient of non-determination, K 2 was explained and was found to be very useful in identifying the best error function while selecting the optimum isotherm
Isotherm, kinetic, and thermodynamic study of ciprofloxacin sorption on sediments.
Mutavdžić Pavlović, Dragana; Ćurković, Lidija; Grčić, Ivana; Šimić, Iva; Župan, Josip
2017-04-01
In this study, equilibrium isotherms, kinetics and thermodynamics of ciprofloxacin on seven sediments in a batch sorption process were examined. The effects of contact time, initial ciprofloxacin concentration, temperature and ionic strength on the sorption process were studied. The K d parameter from linear sorption model was determined by linear regression analysis, while the Freundlich and Dubinin-Radushkevich (D-R) sorption models were applied to describe the equilibrium isotherms by linear and nonlinear methods. The estimated K d values varied from 171 to 37,347 mL/g. The obtained values of E (free energy estimated from D-R isotherm model) were between 3.51 and 8.64 kJ/mol, which indicated a physical nature of ciprofloxacin sorption on studied sediments. According to obtained n values as measure of intensity of sorption estimate from Freundlich isotherm model (from 0.69 to 1.442), ciprofloxacin sorption on sediments can be categorized from poor to moderately difficult sorption characteristics. Kinetics data were best fitted by the pseudo-second-order model (R 2 > 0.999). Thermodynamic parameters including the Gibbs free energy (ΔG°), enthalpy (ΔH°) and entropy (ΔS°) were calculated to estimate the nature of ciprofloxacin sorption. Results suggested that sorption on sediments was a spontaneous exothermic process.
Sorption Modeling and Verification for Off-Gas Treatment
Energy Technology Data Exchange (ETDEWEB)
Tavlarides, Lawrence L. [Syracuse Univ., NY (United States); Lin, Ronghong [Syracuse Univ., NY (United States); Nan, Yue [Syracuse Univ., NY (United States); Yiacoumi, Sotira [Georgia Inst. of Technology, Atlanta, GA (United States); Tsouris, Costas [Georgia Inst. of Technology, Atlanta, GA (United States); Ladshaw, Austin [Georgia Inst. of Technology, Atlanta, GA (United States); Sharma, Ketki [Georgia Inst. of Technology, Atlanta, GA (United States); Gabitto, Jorge [Prairie View A & M Univ., Prairie View, TX (United States); DePaoli, David [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
2015-04-29
The project has made progress toward developing a comprehensive modeling capability for the capture of target species in off gas evolved during the reprocessing of nuclear fuel. The effort has integrated experimentation, model development, and computer code development for adsorption and absorption processes. For adsorption, a modeling library has been initiated to include (a) equilibrium models for uptake of off-gas components by adsorbents, (b) mass transfer models to describe mass transfer to a particle, diffusion through the pores of the particle and adsorption on the active sites of the particle, and (c) interconnection of these models to fixed bed adsorption modeling which includes advection through the bed. For single-component equilibria, a Generalized Statistical Thermodynamic Adsorption (GSTA) code was developed to represent experimental data from a broad range of isotherm types; this is equivalent to a Langmuir isotherm in the two-parameter case, and was demonstrated for Kr on INL-engineered sorbent HZ PAN, water sorption on molecular sieve A sorbent material (MS3A), and Kr and Xe capture on metal-organic framework (MOF) materials. The GSTA isotherm was extended to multicomponent systems through application of a modified spreading pressure surface activity model and generalized predictive adsorbed solution theory; the result is the capability to estimate multicomponent adsorption equilibria from single-component isotherms. This advance, which enhances the capability to simulate systems related to off-gas treatment, has been demonstrated for a range of real-gas systems in the literature and is ready for testing with data currently being collected for multicomponent systems of interest, including iodine and water on MS3A. A diffusion kinetic model for sorbent pellets involving pore and surface diffusion as well as external mass transfer has been established, and a methodology was developed for determining unknown diffusivity parameters from transient
Sorption Modeling and Verification for Off-Gas Treatment
International Nuclear Information System (INIS)
Tavlarides, Lawrence L.; Lin, Ronghong; Nan, Yue; Yiacoumi, Sotira; Tsouris, Costas; Ladshaw, Austin; Sharma, Ketki; Gabitto, Jorge; DePaoli, David
2015-01-01
The project has made progress toward developing a comprehensive modeling capability for the capture of target species in off gas evolved during the reprocessing of nuclear fuel. The effort has integrated experimentation, model development, and computer code development for adsorption and absorption processes. For adsorption, a modeling library has been initiated to include (a) equilibrium models for uptake of off-gas components by adsorbents, (b) mass transfer models to describe mass transfer to a particle, diffusion through the pores of the particle and adsorption on the active sites of the particle, and (c) interconnection of these models to fixed bed adsorption modeling which includes advection through the bed. For single-component equilibria, a Generalized Statistical Thermodynamic Adsorption (GSTA) code was developed to represent experimental data from a broad range of isotherm types; this is equivalent to a Langmuir isotherm in the two-parameter case, and was demonstrated for Kr on INL-engineered sorbent HZ PAN, water sorption on molecular sieve A sorbent material (MS3A), and Kr and Xe capture on metal-organic framework (MOF) materials. The GSTA isotherm was extended to multicomponent systems through application of a modified spreading pressure surface activity model and generalized predictive adsorbed solution theory; the result is the capability to estimate multicomponent adsorption equilibria from single-component isotherms. This advance, which enhances the capability to simulate systems related to off-gas treatment, has been demonstrated for a range of real-gas systems in the literature and is ready for testing with data currently being collected for multicomponent systems of interest, including iodine and water on MS3A. A diffusion kinetic model for sorbent pellets involving pore and surface diffusion as well as external mass transfer has been established, and a methodology was developed for determining unknown diffusivity parameters from transient
Decomposable log-linear models
DEFF Research Database (Denmark)
Eriksen, Poul Svante
can be characterized by a structured set of conditional independencies between some variables given some other variables. We term the new model class decomposable log-linear models, which is illustrated to be a much richer class than decomposable graphical models.It covers a wide range of non...... The present paper considers discrete probability models with exact computational properties. In relation to contingency tables this means closed form expressions of the maksimum likelihood estimate and its distribution. The model class includes what is known as decomposable graphicalmodels, which......-hierarchical models, models with structural zeroes, models described by quasi independence and models for level merging. Also, they have a very natural interpretation as they may be formulated by a structured set of conditional independencies between two events given some other event. In relation to contingency...
Surface complexation modelling applied to the sorption of nickel on silica
International Nuclear Information System (INIS)
Olin, M.
1995-10-01
The modelling based on a mechanistic approach, of a sorption experiment is presented in the report. The system chosen for experiments (nickel + silica) is modelled by using literature values for some parameters, the remainder being fitted by existing experimental results. All calculations are performed by HYDRAQL, a model planned especially for surface complexation modelling. Allmost all the calculations are made by using the Triple-Layer Model (TLM) approach, which appeared to be sufficiently flexible for the silica system. The report includes a short description of mechanistic sorption models, input data, experimental results and modelling results (mostly graphical presentations). (13 refs., 40 figs., 4 tabs.)
Directory of Open Access Journals (Sweden)
M. Kumar
2017-05-01
Full Text Available In this study, the activated carbon was prepared from Prosopis juliflora bark as a novel adsorbent. Removal of chromium (Cr was assessed by varying the parameters like metal concentration, temperature, pH, adsorbent dose and contact time. The feasibility of the sorption was studied using Freundlich and Langmuir isotherms including linear and non-linear regression methods. In Langmuir, various forms of linearized equations were evaluated. The isotherm parameter of dimensionless separation factor (RL was also studied. The kinetics of adsorption was studied by using Lagergren’s pseudo-first order and pseudo-second order equations and the results have shown that the adsorption process follows pseudo-second order kinetics and the adsorption process depends on both time and concentration. The mechanistic pathway of the adsorption process was evaluated with intraparticle diffusion model. The effect of heat of adsorption of the adsorbate onto the adsorbent material was determined using the thermodynamic parameters and the reusability of the adsorbent materials was ascertained with desorption studies. The adsorbent material characterization was done by using Fourier Transform Infrared Spectroscopy (FTIR, X-ray Diffraction (XRD method and morphology of the surface of adsorbent was identified with Scanning Electron Microscope (SEM.
Linear and Generalized Linear Mixed Models and Their Applications
Jiang, Jiming
2007-01-01
This book covers two major classes of mixed effects models, linear mixed models and generalized linear mixed models, and it presents an up-to-date account of theory and methods in analysis of these models as well as their applications in various fields. The book offers a systematic approach to inference about non-Gaussian linear mixed models. Furthermore, it has included recently developed methods, such as mixed model diagnostics, mixed model selection, and jackknife method in the context of mixed models. The book is aimed at students, researchers and other practitioners who are interested
International Nuclear Information System (INIS)
Kulik, D.A.
2005-01-01
Full text of publication follows: Computer-aided surface complexation models (SCM) tend to replace the classic adsorption isotherm (AI) analysis in describing mineral-water interface reactions such as radionuclide sorption onto (hydr) oxides and clays. Any site-binding SCM based on the mole balance of surface sites, in fact, reproduces the (competitive) Langmuir isotherm, optionally amended with electrostatic Coulomb's non-ideal term. In most SCM implementations, it is difficult to incorporate real-surface phenomena (site heterogeneity, lateral interactions, surface condensation) described in classic AI approaches other than Langmuir's. Thermodynamic relations between SCMs and AIs that remained obscure in the past have been recently clarified using new definitions of standard and reference states of surface species [1,2]. On this basis, a method for separating the Langmuir AI into ideal (linear) and non-ideal parts [2] was applied to multi-dentate Langmuir, Frumkin, and BET isotherms. The aim of this work was to obtain the surface activity coefficient terms that make the SCM site mole balance constraints obsolete and, in this way, extend thermodynamic SCMs to cover sorption phenomena described by the respective AIs. The multi-dentate Langmuir term accounts for the site saturation with n-dentate surface species, as illustrated on modeling bi-dentate U VI complexes on goethite or SiO 2 surfaces. The Frumkin term corrects for the lateral interactions of the mono-dentate surface species; in particular, it has the same form as the Coulombic term of the constant-capacitance EDL combined with the Langmuir term. The BET term (three parameters) accounts for more than a monolayer adsorption up to the surface condensation; it can potentially describe the surface precipitation of nickel and other cations on hydroxides and clay minerals. All three non-ideal terms (in GEM SCMs implementation [1,2]) by now are used for non-competing surface species only. Upon 'surface dilution
International Nuclear Information System (INIS)
Loffredo, N.
2010-01-01
In the context of future storage of nuclear material in deep geological layers, the transfer of selenium-79 from groundwater to biosphere through irrigation is one of the scenarios considered by the ANDRA (National Agency for Radioactive Waste Management). So, the soil would act as an interface between the geosphere and biosphere. Actually the model adopted to evaluate the element mobility in soil is based on a simple representation of its distribution between the quantity adsorbed on the soil and the amount remaining in the solution (KD model). Such distribution is considered as instantaneous, reversible and linear with the concentration of contamination. This model has some inadequacies with respect to selenium because this latter can be present in different redox states that control its mobility and whose transformation kinetics among states are poorly known (Se(-II), Se(0), Se(IV) and Se(VI)). In order to improve predictions on the mobility of selenium in soil, selenate (Se(VI)) - which is the most mobile form - has been used to study its interactions with respect to two different soils (soil B and soil R). A kinetic model, alternative to the K d model, has been developed to describe the evolution of stocks of Se(VI) in solution. This model considers that a fraction of selenium is associated with soil in a reversibly way (potentially mobile) and a portion of it is stabilized in soil (pseudo-irreversibly fixed). This model integrates on one hand, in the soil, kinetics of biotic and abiotic stabilization and on the other hand, in solution, a reduction kinetic. With the goal of acquiring the parameters of the models, various experiments using dialysis bags have been effectuated, both in batch and with open-flow reactors. The parameter acquisition has allowed kinetic and K d models to be compared in different realistic scenarios of contamination (chronic or sequential) of a surface soil with 79 Se(VI). In addition, the sorption mechanisms of Se(VI) have been
Characterization of U(VI) Sorption-Desorption Processes and Model Upscaling
International Nuclear Information System (INIS)
Bai, Jing; Dong, Wenming; Ball, William P.
2006-01-01
The objectives of the overall collaborative EMSP effort (with which this project is associated) were to characterize sorption and desorption processes of U(VI) on pristine and contaminated Hanford sediments over a range of sediment facies and materials properties and to relate such characterization both to fundamental molecular-scale understanding and field-scale models of geochemistry and mass transfer. The research was intended to provide new insights on the mechanisms of U(VI) retardation at Hanford, and to allow the development of approaches by which laboratory-developed geochemical models could be upscaled for defensible field-scale predictions of uranium transport in the environment. Within this broader context, objectives of the JHU-based project were to test hypotheses regarding the coupled roles of adsorption and impermeable-zone diffusion in controlling the fate and transport of U(VI) species under conditions of comparatively short-term exposure. In particular, this work tested the following hypotheses: (1) the primary adsorption processes in the Hanford sediment over the pH range of 7 to 10 are surface complexation reactions of aqueous U(VI) hydroxycarbonate and carbonate complexes with amphoteric edge sites on detrital phyllosilicates in the silt/clay size fraction; (2) macroscopic adsorption intensity (at given aqueous conditions) is a function of mineral composition and aquatic chemistry; and (3) equilibrium sorption and desorption to apply in short-term, laboratory-spiked pristine sediments; and (4) interparticle diffusion can be fully understood in terms of a model that couples molecular diffusion of uranium species in the porewater with equilibrium sorption under the relevant aqueous conditions. The primary focus of the work was on developing and applying both models and experiments to test the applicability of ''local equilibrium'' assumptions in the modeling interpretation of sorption retarded interparticle diffusion, as relevant to processes of
Henocq, Pierre
2017-06-01
In cement-based materials, radionuclide uptake is mainly controlled by calcium silicate hydrates (C-S-H). This work presents an approach for defining a unique set of parameters of a surface complexation model describing the sorption behavior of alkali ions on the C-S-H surface. Alkali sorption processes are modeled using the CD-MUSIC function integrated in the Phreeqc V.3.0.6 geochemical code. Parameterization of the model was performed based on (1) retention, (2) zeta potential, and (3) solubility experimental data from the literature. This paper shows an application of this model to sodium ions. It was shown that retention, i.e. surface interactions, and solubility are closely related, and a consistent sorption model for radionuclides in cement-based materials requires a coupled surface interaction/chemical equilibrium model. In case of C-S-H with low calcium-to-silicon ratios, sorption of sodium ions on the C-S-H surface strongly influences the chemical equilibrium of the C-S-H + NaCl system by significantly increasing the aqueous calcium concentration. The close relationship between sorption and chemical equilibrium was successfully illustrated by modeling the effect of the solid-to-liquid ratio on the calcium content in solution in the case of C-S-H + NaCl systems.
Multicollinearity in hierarchical linear models.
Yu, Han; Jiang, Shanhe; Land, Kenneth C
2015-09-01
This study investigates an ill-posed problem (multicollinearity) in Hierarchical Linear Models from both the data and the model perspectives. We propose an intuitive, effective approach to diagnosing the presence of multicollinearity and its remedies in this class of models. A simulation study demonstrates the impacts of multicollinearity on coefficient estimates, associated standard errors, and variance components at various levels of multicollinearity for finite sample sizes typical in social science studies. We further investigate the role multicollinearity plays at each level for estimation of coefficient parameters in terms of shrinkage. Based on these analyses, we recommend a top-down method for assessing multicollinearity in HLMs that first examines the contextual predictors (Level-2 in a two-level model) and then the individual predictors (Level-1) and uses the results for data collection, research problem redefinition, model re-specification, variable selection and estimation of a final model. Copyright © 2015 Elsevier Inc. All rights reserved.
Sorption of agrochemical model compounds by sorbent materials containing beta-cyclodextrin.
Wilson, Lee D; Mohamed, Mohamed H; Guo, Rui; Pratt, Dawn Y; Kwon, Jae Hyuck; Mahmud, Sarker T
2010-04-01
Polymeric sorbent materials that incorporate beta-cyclodextrin (CD) have been prepared and their sorption behavior toward two model agrochemical contaminant compounds, p-nitrophenol (PNP) and methyl chloride examined. The sorption of PNP was studied in aqueous solution using ultraviolet-visible (UV-Vis) spectroscopy, whereas the sorption of methyl chloride from the gas phase was studied using a Langmuir adsorption method. The sorption results for PNP in solution were compared between granular activated carbon (GAC), modified GAC, CD copolymers, and CD-based mesoporous silica hybrid materials. Nitrogen porosimetry at 77 K was used to estimate the surface area and pore structure properties of the sorbent materials. The sorbents displayed variable surface areas as follows: copolymers (36.2-157 m(2)/g), CD-silica materials (307-906 m(2)/g), surface modified GAC (657 m(2)/g), and granular activated carbon (approximately 10(3) m(2)/g). The sorption capacities for PNP and methyl chloride with the different sorbents are listed in descending order as follows: GAC > copolymers > surface modified GAC > CD-silica hybrid materials. In general, the differences in the sorption properties of the sorbents were related to the following: (i) surface area of the sorbent, (ii) CD content and accessibility, (iii) and the chemical nature of the sorbent material.
Modelling Loudspeaker Non-Linearities
DEFF Research Database (Denmark)
Agerkvist, Finn T.
2007-01-01
This paper investigates different techniques for modelling the non-linear parameters of the electrodynamic loudspeaker. The methods are tested not only for their accuracy within the range of original data, but also for the ability to work reasonable outside that range, and it is demonstrated...... that polynomial expansions are rather poor at this, whereas an inverse polynomial expansion or localized fitting functions such as the gaussian are better suited for modelling the Bl-factor and compliance. For the inductance the sigmoid function is shown to give very good results. Finally the time varying...
Surface complexation modelling: Experiments on the sorption of nickel on quartz
International Nuclear Information System (INIS)
Puukko, E.; Hakanen, M.
1995-10-01
Assessing the safety of a final repository for nuclear wastes requires knowledge concerning the way in which the radionuclides released are retarded in the geosphere. The aim of the work is to aquire knowledge of empirical methods repeating the experiments on the sorption of nickel on quartz described in the reports published by the British Geological Survey (BGS). The experimental results were modelled with computer models at the Technical Research Centre of Finland (VTT Chemical Technology). The results showed that the experimental knowledge of the sorption of Ni on quartz have been acheved by repeating the experiments of BGS. Experiments made with the two quartz types, Min-U-Sil 5 (MUS) and Nilsiae, showed the difference in sorption of Ni in the low ionic strength solution (0.001 M NaNO 3 ). The sorption of Ni on MUS was higher than predicted by the Surface Complexation Model (SCM). The phenomenon was also observed by the BGS, and may be due to the different amounts of inpurities in the MUS and in the NLS. In other respects, the results of the sorption experiments fitted quite well with those predicted by the SCM model. (8 refs., 8 figs., 11 tabs.)
Multivariate covariance generalized linear models
DEFF Research Database (Denmark)
Bonat, W. H.; Jørgensen, Bent
2016-01-01
are fitted by using an efficient Newton scoring algorithm based on quasi-likelihood and Pearson estimating functions, using only second-moment assumptions. This provides a unified approach to a wide variety of types of response variables and covariance structures, including multivariate extensions......We propose a general framework for non-normal multivariate data analysis called multivariate covariance generalized linear models, designed to handle multivariate response variables, along with a wide range of temporal and spatial correlation structures defined in terms of a covariance link...... function combined with a matrix linear predictor involving known matrices. The method is motivated by three data examples that are not easily handled by existing methods. The first example concerns multivariate count data, the second involves response variables of mixed types, combined with repeated...
Selim, H M; Zhang, Hua
2013-01-01
Competition among various heavy metal species for available adsorption sites on soil matrix surfaces can enhance the mobility of contaminants in the soil environment. Accurate predictions of the fate and behavior of heavy metals in soils and geologic media requires the understanding of the underlying competitive-sorption and transport processes. In this review, we present equilibrium and kinetic models for competitive heavy metal sorption and transport in soils. Several examples are summarized to illustrate the impact of competing ions on the reactivities and mobility of heavy metals in the soil-water environment. We demonstrate that equilibrium Freundlich approaches can be extended to account for competitive sorption of cations and anions with the incorporation of competition coefficients associated with each reaction. Furthermore, retention models of the multiple-reaction type including the two-site nonlinear equilibrium-kinetic models and the concurrent- and consecutive-multireaction models were modified to describe commonly observed time-dependent behaviors of heavy metals in soils. We also show that equilibrium Langmuir and kinetic second-order models can be extended to simulate the competitive sorption and transport in soils, although the use of such models is limited due to their simplifying assumptions. A major drawback of the empirically based Freundlich and Langmuir approaches is that their associated parameters are specific for each soil. Alternatively, geochemical models that are based on ion-exchange and surface-complexation concepts are capable of quantifying the competitive behavior of several chemical species under a wide range of environmental conditions. Such geochemical models, however, are incapable of describing the time-dependent sorption behavior of heavy metal ions in competitive systems. Further research is needed to develop a general-purpose model based on physical and chemical mechanisms governing competitive sorption in soils. Copyright
Energy Technology Data Exchange (ETDEWEB)
Martin-Garin, A.; Garcia-Sanchez, L.; Coppin, F. [Institut de Radioprotection et de Surete Nucleaire (France); Krimissa, M. [Electricite de France (France)
2014-07-01
The understanding of radionuclides (RN) behaviour and subsequent fluxes in the soil/solution/plant system is still a challenging question for realistic short, medium or long term risk assessments. Several years of researches have been devoted to improve the modeling of radionuclides migration in soils and their transfer to other compartments of the biosphere (eg. plants), as well as to constitute databases of model parameters (eg. distribution coefficient (K{sub d})). These works contributed to define, and then to extend, the domain of applicability of radioecological models, but they also helped to identify gaps and ways to improve them. However, these improvements have not been fully taken into account. Within this framework, the evolution of RN chemical speciation in time (often described as aging) was specifically addressed, as it control RN retention properties and bioavailability. Regarding soluble and RN solid speciation in soils, such processes generally lead to a shift from low to high K{sub d} values. Common explanations consist in the transfer of sorbed RN to non-(or less) exchangeable solid species, or in the lixiviation of the most available radionuclide fraction, both decreasing the reversibly sorbed RN fraction. Kinetics studies have examined such changes in K{sub d} value with time and various models have been proposed to fit the different evolutions. Among them, an empirical three-box model is often used to describe the kinetics of RN sorption when RN mostly occurs in the soil solution as a free ion (eg. Cs and Sr). This model assumes that the radionuclide may be sorbed either as a labile fraction, defining an exchangeable K{sub d}-like liquid/solid distribution, or sorbed as a less or non-exchangeable fraction. The last is estimated through its corresponding sorption and desorption rate constants, which describes a pseudo-first order reaction. Modeling of sorption dynamic is a way to link K{sub d} values derived from field-contaminated soils to
Matrix algebra for linear models
Gruber, Marvin H J
2013-01-01
Matrix methods have evolved from a tool for expressing statistical problems to an indispensable part of the development, understanding, and use of various types of complex statistical analyses. This evolution has made matrix methods a vital part of statistical education. Traditionally, matrix methods are taught in courses on everything from regression analysis to stochastic processes, thus creating a fractured view of the topic. Matrix Algebra for Linear Models offers readers a unique, unified view of matrix analysis theory (where and when necessary), methods, and their applications. Written f
González Costa, J J; Reigosa, M J; Matías, J M; Covelo, E F
2017-09-01
The aim of this study was to model the sorption and retention of Cd, Cu, Ni, Pb and Zn in soils. To that extent, the sorption and retention of these metals were studied and the soil characterization was performed separately. Multiple stepwise regression was used to produce multivariate models with linear techniques and with support vector machines, all of which included 15 explanatory variables characterizing soils. When the R-squared values are represented, two different groups are noticed. Cr, Cu and Pb sorption and retention show a higher R-squared; the most explanatory variables being humified organic matter, Al oxides and, in some cases, cation-exchange capacity (CEC). The other group of metals (Cd, Ni and Zn) shows a lower R-squared, and clays are the most explanatory variables, including a percentage of vermiculite and slime. In some cases, quartz, plagioclase or hematite percentages also show some explanatory capacity. Support Vector Machine (SVM) regression shows that the different models are not as regular as in multiple regression in terms of number of variables, the regression for nickel adsorption being the one with the highest number of variables in its optimal model. On the other hand, there are cases where the most explanatory variables are the same for two metals, as it happens with Cd and Cr adsorption. A similar adsorption mechanism is thus postulated. These patterns of the introduction of variables in the model allow us to create explainability sequences. Those which are the most similar to the selectivity sequences obtained by Covelo (2005) are Mn oxides in multiple regression and change capacity in SVM. Among all the variables, the only one that is explanatory for all the metals after applying the maximum parsimony principle is the percentage of sand in the retention process. In the competitive model arising from the aforementioned sequences, the most intense competitiveness for the adsorption and retention of different metals appears between
Moermond, C.T.A.; Traas, T.P.; Roessink, I.; Veltman, K.; Hendriks, A.J.; Koelmans, A.A.
2007-01-01
The predictive power of bioaccumulation models may be limited when they do not account for strong sorption of organic contaminants to carbonaceous materials (CM) such as black carbon, and when they do not include metabolic transformation. We tested a food web accumulation model, including sorption
Europium sorption on zirconia at elevated temperatures: experimental study and modeling
International Nuclear Information System (INIS)
Eglizaud, N.; Catalette, H.
2005-01-01
Full text of publication follows: Direct disposal of spent nuclear fuel in deep underground repository is being considered by several countries. The waste package maintains an elevated temperature for thousands of years. As sorption is one of the main phenomenon limiting the dispersion of radionuclides in the environment, it has to be studied at elevated temperatures. Zirconia is an oxide produced by cladding oxidation which is suspected in the near field of a nuclear repository. It then could possibly be in contact with waste elements as Europium (III), the sorption of which is therefore studied on zirconia. Experiments were performed by the batch method at a solid/liquid ratio of 10 g.L-1. The sorption edges were recorded in the pH-range from 2 to 10 at 2.10 -5 mol.L -1 Eu(NO 3 ) 3 (I = 0.1 mol.L -1 KNO 3 ). An over-pressure device in an autoclave with an incorporated filtering system allowed the experiments, carbonate free, at 25 deg. C, 50 deg. C, 80 deg. C, 120 deg. C and 150 deg. C and in situ pH measurements. Filtrates were analyzed by the ICP-AES method. Sorption isotherms show an increase in the sorption phenomenon when the temperature raises. The half sorption pH decreases from 7 at 25 deg. C to 3,6 at 150 deg. C. The distribution coefficients that were obtained at elevated temperatures enriched the databases of integrated performance assessment codes. Raw data were modeled with the surface complexation theory using the double layer model (DLM). Several possible surface complexes were examined and discussed, taking into account aqueous hydrolyzed and precipitated species of Europium. A good agreement between experimental values and modeled isotherms was found at all studied temperatures. Results were consistent with a bidentate complex formed by Europium (III) on the zirconia surface. Associated formation constants were then determined with the geochemical computer code CHESS. (authors)
Modeling coupled sorption and transformation of 17β-estradiol–17-sulfate in soil–water systems
Energy Technology Data Exchange (ETDEWEB)
Bai, Xuelian; Shrestha, Suman L.; Casey, Francis X. M.; Hakk, Heldur; Fan, Zhaosheng
2014-11-01
Animal manure is the primary source of exogenous free estrogens in the environment, which are known endocrine-disrupting chemicals to disorder the reproduction system of organisms. Conjugated estrogens can act as precursors to free estrogens, which may increase the total estrogenicity in the environment. In this study, a comprehensive model was used to simultaneously simulate the coupled sorption and transformation of a sulfate estrogen conjugate, 17 beta-estradiol-17-sulfate (E2-17S), in various soil-water systems (non-sterile/sterile; topsoil/subsoil). The simulated processes included multiple transformation pathways (i.e. hydroxylation, hydrolysis, and oxidation) and mass transfer between the aqueous, reversibly sorbed, and irreversibly sorbed phases of all soils for E2-17S and its metabolites. The conceptual model was conceived based on a series of linear sorption and first-order transformation expressions. The model was inversely solved Using finite difference to estimate process parameters. A global optimization method was applied for the inverse analysis along with variable model restrictions to estimate 36 parameters. The model provided a satisfactory simultaneous fit (R-adj(2) = 0.93 and d = 0.87) of all the experimental data and reliable parameter estimates. This modeling study improved the understanding on fate and transport of estrogen conjugates under various soil-water conditions.
International Nuclear Information System (INIS)
Um, Wooyong; Serne, R. Jeffrey; Brown, Christopher F.; Rod, Kenton A.
2008-01-01
Sorption of U(VI) on Hanford fine sand (HFS) with varying Fe-oxide (especially ferrihydrite) contents showed that U(VI) sorption increased with the incremental addition of synthetic ferrihydrite into HFS, consistent with ferrihydrite being one of the most reactive U(VI) sorbents present in natural sediments. Surface complexation model (SCM) calculations for U(VI) sorption, using only U(VI) surface-reaction constants obtained from U(VI) sorption data on freshly synthesized ferrihydrite at different pHs, were similar to the measured U(VI) sorption results on pure synthetic ferrihydrite and on HFS with high contents of ferrihydrite (5 wt%) added. However, the SCM prediction using only U(VI) sorption reactions and constants for synthetic ferrihydrite overestimated U(VI) sorption on the natural HFS or HFS with addition of low amounts of added ferrihydrite (1 wt% added). Over-predicted U(VI) sorption was attributed to reduced reactivity of natural ferrihydrite present in Hanford Site sediments, compared to freshly prepared synthetic ferrihydrite. Even though the SCM general composite (GC) approach is considered to be a semi-quantitative estimation technique for contaminant sorption, which requires systematic experimental data on the sorbent-sorbate system being studied to obtain credible SCM parameters, the general composite SCM model was still found to be a useful technique for describing U(VI) sorption on natural sediments. Based on U(VI) batch sorption results, two simple U(VI) monodentate surface species, SO U O 2 HCO 3 and SO U O 2 OH on ferrihydrite and phyllosillicate in HFS, respectively, can be successfully used to describe U(VI) sorption onto Hanford Site sediment contacting varying geochemical solutions
DEFF Research Database (Denmark)
Johannesson, Björn; Nyman, U.
2010-01-01
. History-dependent sorption behaviour is introduced by considering scanning curves between the bounding desorption and absorption curves. The method, therefore, makes it possible to calculate equilibrium water contents for arbitrary relative humidity variations at every material point considered...
Nonabelian Gauged Linear Sigma Model
Institute of Scientific and Technical Information of China (English)
Yongbin RUAN
2017-01-01
The gauged linear sigma model (GLSM for short) is a 2d quantum field theory introduced by Witten twenty years ago.Since then,it has been investigated extensively in physics by Hori and others.Recently,an algebro-geometric theory (for both abelian and nonabelian GLSMs) was developed by the author and his collaborators so that he can start to rigorously compute its invariants and check against physical predications.The abelian GLSM was relatively better understood and is the focus of current mathematical investigation.In this article,the author would like to look over the horizon and consider the nonabelian GLSM.The nonabelian case possesses some new features unavailable to the abelian GLSM.To aid the future mathematical development,the author surveys some of the key problems inspired by physics in the nonabelian GLSM.
Evaluation of theoretical and empirical water vapor sorption isotherm models for soils
DEFF Research Database (Denmark)
Arthur, Emmanuel; Tuller, Markus; Moldrup, Per
2016-01-01
sorption isotherms of building materials, food, and other industrial products, knowledge about the 24 applicability of these functions for soils is noticeably lacking. We present validation of nine models for characterizing adsorption/desorption isotherms for a water activity range from 0.03 to 0...
DEFF Research Database (Denmark)
Polesel, Fabio; Lehnberg, Kai; Dott, Wolfgang
2015-01-01
was registered under anaerobic conditions. The activated sludge model for xenobiotics (ASM-X) was extended with Freundlich-based sorption kinetics and used to predict the fate of ciprofloxacin in a wastewater treatment plant (WWTP). Scenario simulations, using experimental Freundlich parameters, were used...
Modelling of niobium sorption on clay minerals in sodium and calcium perchlorate solutions
Energy Technology Data Exchange (ETDEWEB)
Ervanne, Heini; Hakanen, Martti; Lehto, Jukka [Helsinki Univ. (Finland). Laboratory of Radiochemistry
2014-11-01
The sorption behaviour of niobium on kaolinite and illite minerals in sodium and calcium perchlorate solutions was evaluated with use of the mass distribution coefficient, Rd, obtained in batch sorption experiments. Very high distribution coefficient values, about 100 m{sup 3}/kg, were obtained for both minerals in the neutral pH range between 6 and 8. Values were somewhat lower at pH 5. In NaClO{sub 4} solution, the sorption of niobium starts to decrease at pH higher than 8. This is in agreement with the increase, with pH, in the proportion of anionic niobate species, which are presumed to be low or non-sorbing. A similar decrease was not observed in Ca(ClO{sub 4}){sub 2} solution, probably owing to the influence of Ca on niobium solution speciation and surface species. The surface complexation model was applied to model the Rd values. The model fitted well for the NaClO{sub 4} solution but only at pH below 9 for the Ca(ClO{sub 4}){sub 2} solution. The discrepancy between the strong sorption of niobium in calcium-bearing solution at high pH and the calculated speciation is due in part to the non-inclusion of calcium niobate solution species and Ca-Nb compounds in the present NEA and other similar thermodynamic databases.
International Nuclear Information System (INIS)
Rosskopfova, O.; Kopunec, R.; Matel, L.; Macasek, F.; Kristin, J.
1999-01-01
Hydroxyapatite, Ca 10 (PO 4 ) 6 (OH) 2 is a mineral widely spread in nature as a main constituent of phosphate rocks, and also as the major inorganic component of bones and teeth. It was found that sorption process occurs by an ion exchange reaction mechanism between strontium ions in solution and calcium ions in apatite. Ca 2+ → Sr 2+ substitution in hydroxyapatite is important since it explains the mechanism of incorporation of beta-active Sr-90 of atomic debris into the human skeletal system. The strontium uptake at 100 grad C is done by adsorption and diffusion while at 25 grad C it is done by the process of adsorption only. The hydroxyapatite was prepared from aqueous solutions and characterized by standard analytical methods. Some samples of hydroxyapatite were modified by heating after its precipitation from aqueous solution. The sample obtained had characteristics of well crystallized stoichiometric hydroxyapatite. Also, commercial hydroxy-apatites were used. Sorption of strontium ions on synthetic hydroxyapatite was examined using batch method and sorption depends on the method of preparation of hydroxyapatite. In generally, sorption of strontium decreases with the increase in the particle size of hydroxyapatite and decreases with the increase in the pH ( hydroxyapatite surface is amphoteric and acts as a buffer in a wide pH range). The sorption of strontium increases with the increase in [Sr 2+ ] or [Ca 2+ ] in solution to ∼ 10 -5 mol · dm -3 for the hydroxyapatite prepared by heating. The experimental data for sorption of strontium has been fitted with Langmuir-adsorption isotherm. (authors)
Sorption of cesium and uranium to Feldspar
International Nuclear Information System (INIS)
Wijland, G.C.; Pennders, R.M.J.
1990-07-01
Within safety assessment studies, for nuclear waste disposal in deep geologic formations, calculation for the migration of radionuclides through the geosphere are often carried out with models taking sorption into account. In the past 8 years the insight grew that other physico-chemical processes, besides sorption, could affect migration behaviour. While the currently used transport models were being improved taking either linear or non-linear sorption into account, the coupling of geochemical and transport models came into scope. In spite of these developments models which are still based on the sorption theory are frequently applied in studying migration behaviour of radionuclides. This is caused by the necessity of making preliminary pronouncements, while coupled models are still in stage of development and thermodynamic data are very limited available. Therefore one has to obtain insight in the reliability of the models based on the sorption theory. within the sorption database there is a lack of knowledge about mineralogy, composition of the fluid and the experimental conditions underlying the data. Therefore the Expert Group on geochemical Modelling supported by the Finnish proposal in order to obtain insight in the possible deviation of the sorption coefficients that can be estimated from experiments performed with standard samples, fluid composition and experimental conditions. Nine laboratories from OECD membership countries took part in this intercalibration study. In the framework of the Dutch safety assessment studies the Dutch National Institute of Public health and Environmental protection (RIVM) has decided to participate in this exercise. In this report the results are presented of sorption experiments for cesium and natural Uranium to Feldspar. (H.W.). 4 refs.; 1 fig.; 7 tabs
Evaluation of theoretical and empirical water vapor sorption isotherm models for soils
Arthur, Emmanuel; Tuller, Markus; Moldrup, Per; de Jonge, Lis W.
2016-01-01
The mathematical characterization of water vapor sorption isotherms of soils is crucial for modeling processes such as volatilization of pesticides and diffusive and convective water vapor transport. Although numerous physically based and empirical models were previously proposed to describe sorption isotherms of building materials, food, and other industrial products, knowledge about the applicability of these functions for soils is noticeably lacking. We present an evaluation of nine models for characterizing adsorption/desorption isotherms for a water activity range from 0.03 to 0.93 based on measured data of 207 soils with widely varying textures, organic carbon contents, and clay mineralogy. In addition, the potential applicability of the models for prediction of sorption isotherms from known clay content was investigated. While in general, all investigated models described measured adsorption and desorption isotherms reasonably well, distinct differences were observed between physical and empirical models and due to the different degrees of freedom of the model equations. There were also considerable differences in model performance for adsorption and desorption data. While regression analysis relating model parameters and clay content and subsequent model application for prediction of measured isotherms showed promise for the majority of investigated soils, for soils with distinct kaolinitic and smectitic clay mineralogy predicted isotherms did not closely match the measurements.
Column Chromatography To Obtain Organic Cation Sorption Isotherms.
Jolin, William C; Sullivan, James; Vasudevan, Dharni; MacKay, Allison A
2016-08-02
Column chromatography was evaluated as a method to obtain organic cation sorption isotherms for environmental solids while using the peak skewness to identify the linear range of the sorption isotherm. Custom packed HPLC columns and standard batch sorption techniques were used to intercompare sorption isotherms and solid-water sorption coefficients (Kd) for four organic cations (benzylamine, 2,4-dichlorobenzylamine, phenyltrimethylammonium, oxytetracycline) with two aluminosilicate clay minerals and one soil. A comparison of Freundlich isotherm parameters revealed isotherm linearity or nonlinearity was not significantly different between column chromatography and traditional batch experiments. Importantly, skewness (a metric of eluting peak symmetry) analysis of eluting peaks can establish isotherm linearity, thereby enabling a less labor intensive means to generate the extensive data sets of linear Kd values required for the development of predictive sorption models. Our findings clearly show that column chromatography can reproduce sorption measures from conventional batch experiments with the benefit of lower labor-intensity, faster analysis times, and allow for consistent sorption measures across laboratories with distinct chromatography instrumentation.
Phosphorus sorption on marine carbonate sediment: phosphonate as model organic compounds.
Huang, Xiao-Lan; Zhang, Jia-Zhong
2011-11-01
Organophosphonate, characterized by the presence of a stable, covalent, carbon to phosphorus (C-P) bond, is a group of synthetic or biogenic organophosphorus compounds. The fate of these organic phosphorus compounds in the environment is not well studied. This study presents the first investigation on the sorption of phosphorus (P) in the presence of two model phosphonate compounds, 2-aminothylphosphonoic acid (2-AEP) and phosphonoformic acid (PFA), on marine carbonate sediments. In contrast to other organic P compounds, no significant inorganic phosphate exchange was observed in seawater. P was found to adsorb on the sediment only in the presence of PFA, not 2-AEP. This indicated that sorption of P from phosphonate on marine sediment was compound specific. Compared with inorganic phosphate sorption on the same sediments, P sorption from organic phosphorus is much less in the marine environment. Further study is needed to understand the potential role of the organophosphonate compounds in biogeochemical cycle of phosphorus in the environment. Copyright © 2011 Elsevier Ltd. All rights reserved.
Multivariate generalized linear mixed models using R
Berridge, Damon Mark
2011-01-01
Multivariate Generalized Linear Mixed Models Using R presents robust and methodologically sound models for analyzing large and complex data sets, enabling readers to answer increasingly complex research questions. The book applies the principles of modeling to longitudinal data from panel and related studies via the Sabre software package in R. A Unified Framework for a Broad Class of Models The authors first discuss members of the family of generalized linear models, gradually adding complexity to the modeling framework by incorporating random effects. After reviewing the generalized linear model notation, they illustrate a range of random effects models, including three-level, multivariate, endpoint, event history, and state dependence models. They estimate the multivariate generalized linear mixed models (MGLMMs) using either standard or adaptive Gaussian quadrature. The authors also compare two-level fixed and random effects linear models. The appendices contain additional information on quadrature, model...
Directory of Open Access Journals (Sweden)
Yogender Singh
2015-12-01
Full Text Available Moisture sorption isotherms of rice-based instant soup mix at temperature range 15–45°C and relative humidity from 0.11 to 0.86 were determined using the standard gravimetric static method. The experimental sorption curves were fitted by five equations: Chung-Pfost, GAB, Henderson, Kuhn, and Oswin. The sorption isotherms of soup mix decreased with increasing temperature, exhibited type II behavior according to BET classification. The GAB, Henderson, Kuhn, and Oswin models were found to be the most suitable for describing the sorption curves. The isosteric heat of sorption of water was determined from the equilibrium data at different temperatures. It decreased as moisture content increased and was found to be a polynomial function of moisture content. The study has provided information and data useful in large-scale commercial production of soup and have great importance to combat the problem of protein-energy malnutrition in underdeveloped and developing countries.
Nonlinear Modeling by Assembling Piecewise Linear Models
Yao, Weigang; Liou, Meng-Sing
2013-01-01
To preserve nonlinearity of a full order system over a parameters range of interest, we propose a simple modeling approach by assembling a set of piecewise local solutions, including the first-order Taylor series terms expanded about some sampling states. The work by Rewienski and White inspired our use of piecewise linear local solutions. The assembly of these local approximations is accomplished by assigning nonlinear weights, through radial basis functions in this study. The efficacy of the proposed procedure is validated for a two-dimensional airfoil moving at different Mach numbers and pitching motions, under which the flow exhibits prominent nonlinear behaviors. All results confirm that our nonlinear model is accurate and stable for predicting not only aerodynamic forces but also detailed flowfields. Moreover, the model is robustness-accurate for inputs considerably different from the base trajectory in form and magnitude. This modeling preserves nonlinearity of the problems considered in a rather simple and accurate manner.
Prediction of metal sorption in soils
International Nuclear Information System (INIS)
Westrich, Henry R.; Anderson, Harold L. Jr.; Arthur, Sara E.; Brady, Patrick V.; Cygan, Randall T.; Liang, Jianjie; Zhang, Pengchu; Yee, N.
2000-01-01
Radionuclide transport in soils and groundwaters is routinely calculated in performance assessment (PA) codes using simplified conceptual models for radionuclide sorption, such as the K D approach for linear and reversible sorption. Model inaccuracies are typically addressed by adding layers of conservativeness (e.g., very low K D 's), and often result in failed transport predictions or substantial increases in site cleanup costs. Realistic assessments of radionuclide transport over a wide range of environmental conditions can proceed only from accurate, mechanistic models of the sorption process. They have focused on the sorption mechanisms and partition coefficients for Cs + , Sr 2+ and Ba 2+ (analogue for Ra 2+ ) onto iron oxides and clay minerals using an integrated approach that includes computer simulations, sorption/desorption measurements, and synchrotron analyses of metal sorbed substrates under geochemically realistic conditions. Sorption of Ba 2+ and Sr 2+ onto smectite is strong, pH-independent, and fully reversible, suggesting that cation exchange at the interlayer basal sites controls the sorption process. Sr 2+ sorbs weakly onto geothite and quartz, and is pH-dependent. Sr 2+ sorption onto a mixture of smectite and goethite, however, is pH- and concentration dependent. The adsorption capacity of montmorillonite is higher than that of goethite, which may be attributed to the high specific surface area and reaction site density of clays. The presence of goethite also appears to control the extent of metal desorption. In-situ, extended X-ray absorption fine structure (EXAFS) spectroscopic measurements for montmorillonite and goethite show that the first shell of adsorbed Ba 2+ is coordinated by 6 oxygens. The second adsorption shell, however, varies with the mineral surface coverage of adsorbed Ba 2+ and the mineral substrate. This suggests that Ba 2+ adsorption on mineral surfaces involves more than one mechanism and that the stability of sorbed
Linear Logistic Test Modeling with R
Baghaei, Purya; Kubinger, Klaus D.
2015-01-01
The present paper gives a general introduction to the linear logistic test model (Fischer, 1973), an extension of the Rasch model with linear constraints on item parameters, along with eRm (an R package to estimate different types of Rasch models; Mair, Hatzinger, & Mair, 2014) functions to estimate the model and interpret its parameters. The…
Decreasing Kd uncertainties through the application of thermodynamic sorption models
International Nuclear Information System (INIS)
Domènech, Cristina; García, David; Pękala, Marek
2015-01-01
Radionuclide retardation processes during transport are expected to play an important role in the safety assessment of subsurface disposal facilities for radioactive waste. The linear distribution coefficient (K d ) is often used to represent radionuclide retention, because analytical solutions to the classic advection–diffusion-retardation equation under simple boundary conditions are readily obtainable, and because numerical implementation of this approach is relatively straightforward. For these reasons, the K d approach lends itself to probabilistic calculations required by Performance Assessment (PA) calculations. However, it is widely recognised that K d values derived from laboratory experiments generally have a narrow field of validity, and that the uncertainty of the K d outside this field increases significantly. Mechanistic multicomponent geochemical simulators can be used to calculate K d values under a wide range of conditions. This approach is powerful and flexible, but requires expert knowledge on the part of the user. The work presented in this paper aims to develop a simplified approach of estimating K d values whose level of accuracy would be comparable with those obtained by fully-fledged geochemical simulators. The proposed approach consists of deriving simplified algebraic expressions by combining relevant mass action equations. This approach was applied to three distinct geochemical systems involving surface complexation and ion-exchange processes. Within bounds imposed by model simplifications, the presented approach allows radionuclide K d values to be estimated as a function of key system-controlling parameters, such as the pH and mineralogy. This approach could be used by PA professionals to assess the impact of key geochemical parameters on the variability of radionuclide K d values. Moreover, the presented approach could be relatively easily implemented in existing codes to represent the influence of temporal and spatial changes in
Effects of sorption behaviour on contaminant migration
International Nuclear Information System (INIS)
Melnyk, T.W.
1985-11-01
The effects of sorption behaviour on contaminant migration in groundwater systems are varied. Retardation of migration and dispersive effects can vary widely and contaminant concentration profiles can take a number of different shapes. This report examines the nature of some of these effects, especially those due to sorption behaviours that are dependent on the concentration of the contaminant in the groundwater. The effects are calculated using, in most cases, analytical solutions to the chemical equations imbedded in a simple reaction-cell or box-model transport algorithm. The hydrogeological parameters are held constant, and radioactive decay and hydrodynamic dispersion are excluded. A general discussion of the role of sorption equations in transport modelling is followed by presentation of migration results for a number of models of sorption behaviour varying from linear isotherms, Langmuir, Freundlich and ion-exchange isotherms, to precipitation reactions and multiple-site sorption reactions. The results are compared and general conclusions are drawn about the various migration behaviours calculated. The conclusions are that equilibrium sorption of trace contaminants can be modelled with linear isotherms (constant distribution coefficients or constant retardation factors) but the evaluation and extrapolation of the distribution coefficient are not easy. Nonlinear isotherms lead to unsymmetrical migration fronts. A comparison of Freundlich and linear isotherms is made. Sorption/desorption kinetic factors can be significant on the time scale of laboratory experiments and can cause large dispersive effects. Slow but important reactions can be missed altogether. Precipitation or mineralization behaviour cannot be modelled with constant distribution coefficients. Also, mineralization reactions can be kinetically slow even on the geological time scale. 89 refs
Core seismic behaviour: linear and non-linear models
International Nuclear Information System (INIS)
Bernard, M.; Van Dorsselaere, M.; Gauvain, M.; Jenapierre-Gantenbein, M.
1981-08-01
The usual methodology for the core seismic behaviour analysis leads to a double complementary approach: to define a core model to be included in the reactor-block seismic response analysis, simple enough but representative of basic movements (diagrid or slab), to define a finer core model, with basic data issued from the first model. This paper presents the history of the different models of both kinds. The inert mass model (IMM) yielded a first rough diagrid movement. The direct linear model (DLM), without shocks and with sodium as an added mass, let to two different ones: DLM 1 with independent movements of the fuel and radial blanket subassemblies, and DLM 2 with a core combined movement. The non-linear (NLM) ''CORALIE'' uses the same basic modelization (Finite Element Beams) but accounts for shocks. It studies the response of a diameter on flats and takes into account the fluid coupling and the wrapper tube flexibility at the pad level. Damping consists of one modal part of 2% and one part due to shocks. Finally, ''CORALIE'' yields the time-history of the displacements and efforts on the supports, but damping (probably greater than 2%) and fluid-structures interaction are still to be precised. The validation experiments were performed on a RAPSODIE core mock-up on scale 1, in similitude of 1/3 as to SPX 1. The equivalent linear model (ELM) was developed for the SPX 1 reactor-block response analysis and a specified seismic level (SB or SM). It is composed of several oscillators fixed to the diagrid and yields the same maximum displacements and efforts than the NLM. The SPX 1 core seismic analysis with a diagrid input spectrum which corresponds to a 0,1 g group acceleration, has been carried out with these models: some aspects of these calculations are presented here
Composite Linear Models | Division of Cancer Prevention
By Stuart G. Baker The composite linear models software is a matrix approach to compute maximum likelihood estimates and asymptotic standard errors for models for incomplete multinomial data. It implements the method described in Baker SG. Composite linear models for incomplete multinomial data. Statistics in Medicine 1994;13:609-622. The software includes a library of thirty
Energy Technology Data Exchange (ETDEWEB)
Karimzadeh, Lotfallah; Barthen, Robert; Gruendig, Marion; Franke, Karsten; Lippmann-Pipke, Johanna [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Reactive Transport; Stockmann, Madlen [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes
2017-06-01
In this work, we study the mobility behavior of Cu(II) under conditions related to an alternative, neutrophile biohydrometallurgical Cu(II) leaching approach. Sorption of copper onto kaolinite influenced by glutamic acid (Glu) was investigated in the presence of 0.01 M NaClO{sub 4} by means of binary and ternary batch adsorption measurements over a pH range of 4 to 9 and surface complexation modeling.
International Nuclear Information System (INIS)
Karimzadeh, Lotfallah; Barthen, Robert; Gruendig, Marion; Franke, Karsten; Lippmann-Pipke, Johanna; Stockmann, Madlen
2017-01-01
In this work, we study the mobility behavior of Cu(II) under conditions related to an alternative, neutrophile biohydrometallurgical Cu(II) leaching approach. Sorption of copper onto kaolinite influenced by glutamic acid (Glu) was investigated in the presence of 0.01 M NaClO_4 by means of binary and ternary batch adsorption measurements over a pH range of 4 to 9 and surface complexation modeling.
Kinetic modeling of antimony(III) oxidation and sorption in soils.
Cai, Yongbing; Mi, Yuting; Zhang, Hua
2016-10-05
Kinetic batch and saturated column experiments were performed to study the oxidation, adsorption and transport of Sb(III) in two soils with contrasting properties. Kinetic and column experiment results clearly demonstrated the extensive oxidation of Sb(III) in soils, and this can in return influence the adsorption and transport of Sb. Both sorption capacity and kinetic oxidation rate were much higher in calcareous Huanjiang soil than in acid red Yingtan soil. The results indicate that soil serve as a catalyst in promoting oxidation of Sb(III) even under anaerobic conditions. A PHREEQC model with kinetic formulations was developed to simulate the oxidation, sorption and transport of Sb(III) in soils. The model successfully described Sb(III) oxidation and sorption data in kinetic batch experiment. It was less successful in simulating the reactive transport of Sb(III) in soil columns. Additional processes such as colloid facilitated transport need to be quantified and considered in the model. Copyright © 2016 Elsevier B.V. All rights reserved.
Sorption mechanism of U(VI) on to natural soil system: a study using intra-particle diffusion model
International Nuclear Information System (INIS)
Rout, S.; Kumar, A.; Ravi, P.M.; Tripathi, R.M.
2015-01-01
The rate of U(VI) adsorption onto natural soils from different parent materials has been studied experimentally using the batch adsorption method at five different initial U(VI) concentrations. The utility of Weber and Morris Interparticle diffusion model for describing the mechanism and kinetics of sorption is discussed. The study reveals that the mechanism of U(VI) sorption involves three steps such as: external surface adsorption, gradual adsorption stage which is the rate determining step and the last portion refers to the final equilibrium stage. The steps involved in sorption of U(VI) on to soil is same irrespective of soil types and initial U(VI) concentration. (author)
International Nuclear Information System (INIS)
Marques Fernandes, Maria; Vér, Nóra; Baeyens, Bart
2015-01-01
Highlights: • Contaminant retention in argillaceous rocks controlled by sorption on clay minerals. • Cs, Ni, Co, Eu, Th and UO 2 sorption isotherm measurements on Boda and Opalinus Clay. • Boda and Opalinus Clay exhibit different mineralogies and porewater compositions. • Blind predictions using quasi-mechanistic sorption models developed for illite. • Good agreement between measurements and blind predictions. - Abstract: Reliable predictions of radiocontaminant migration are a requirement for the establishment of radioactive waste repositories. Parametrization of the necessary sorption models seems to be, however, extremely challenging given the multi-mineralic composition of the lithosphere. In this study it is shown for two argillaceous rocks – Boda and Opalinus Clay relevant for the Hungarian and Swiss repository concepts, respectively – that this task can be substantially simplified by taking into account only the most sorptive mineral fraction, namely the 2:1 clay minerals illite and illite/smectite mixed layers. Two different models were required to blind predict the sorption isotherms of Cs, Co, Ni, Eu, Th and UO 2 measured on the two clay rock samples in a synthetic porewater. Cs sorption was modelled with the generalised Cs (GCs) sorption model and the sorption of the other cations with the 2site protolysis non electrostatic surface complexation and cation exchange (2SPNE SC/CE) model. The 2SPNE SC/CE model for illite was extended with surface complexation reactions on weak sites for Co, Ni, Eu, UO 2 and on strong sites for Eu-carbonato complexes. Complementary to the sorption measurements and modelling, extended X-ray absorption fine structure (EXAFS) spectroscopy was used to probe the retention mechanism of Ni on illite, Boda and Opalinus Clay at higher loadings. The reliable blind predictions of the selected metal cations, which are representative for monovalent alkaline metals, divalent transition metals, lanthanides, and trivalent
Surface-complexation models for sorption onto heterogeneous surfaces
International Nuclear Information System (INIS)
Harvey, K.B.
1997-10-01
This report provides a description of the discrete-logK spectrum model, together with a description of its derivation, and of its place in the larger context of surface-complexation modelling. The tools necessary to apply the discrete-logK spectrum model are discussed, and background information appropriate to this discussion is supplied as appendices. (author)
Sorption of phosphate onto calcite; results from batch experiments and surface complexation modeling
DEFF Research Database (Denmark)
Sø, Helle Ugilt; Postma, Dieke; Jakobsen, Rasmus
2011-01-01
The adsorption of phosphate onto calcite was studied in a series of batch experiments. To avoid the precipitation of phosphate-containing minerals the experiments were conducted using a short reaction time (3h) and low concentrations of phosphate (⩽50μM). Sorption of phosphate on calcite was stud......The adsorption of phosphate onto calcite was studied in a series of batch experiments. To avoid the precipitation of phosphate-containing minerals the experiments were conducted using a short reaction time (3h) and low concentrations of phosphate (⩽50μM). Sorption of phosphate on calcite...... of a high degree of super-saturation with respect to hydroxyapatite (SIHAP⩽7.83). The amount of phosphate adsorbed varied with the solution composition, in particular, adsorption increases as the CO32- activity decreases (at constant pH) and as pH increases (at constant CO32- activity). The primary effect...... of ionic strength on phosphate sorption onto calcite is its influence on the activity of the different aqueous phosphate species. The experimental results were modeled satisfactorily using the constant capacitance model with >CaPO4Ca0 and either >CaHPO4Ca+ or >CaHPO4- as the adsorbed surface species...
Actuarial statistics with generalized linear mixed models
Antonio, K.; Beirlant, J.
2007-01-01
Over the last decade the use of generalized linear models (GLMs) in actuarial statistics has received a lot of attention, starting from the actuarial illustrations in the standard text by McCullagh and Nelder [McCullagh, P., Nelder, J.A., 1989. Generalized linear models. In: Monographs on Statistics
Directory of Open Access Journals (Sweden)
M. Mahdavian
2007-06-01
Full Text Available Among various reported membrane-based gas separation processes, the best explanation is generally achieved by the solution-diffusion model. The main factors in this model are the solubility and diffusivity of permeationcomponents through the membrane. The prediction of permeability and diffusivity in multicomponent gas permeation as well as the separation evaluation equilibrium and kinetic interactions requires a proper explanation of sorption and diffusion phenomena in the polymer matrix. Investigation made by various researchers in this area shows that the equilibrium interaction (sorption step plays the key role in determining diffusion and permeation in multicomponent system. Therefore, the proper description of sorption behaviour of gas mixture in the polymer is an essential task. The dual-mode sorption (Langmuir-Henry is usually used for the description of equilibrium isotherm of gases in glassy polymers based on this model; the diffusive behaviour of the system is subsequently analyzed by the partial immobilization model. In this study, the equilibrium sorption of CO2/CH4 mixture in various polymers was modelled using the experimental data available in the literature. The differences in the mechanism of adsorption for CO2 and CH4 were analyzed by considering variations in mode of sorption for each adsorbed component at different pressures. By introducing a new adsorption parameter, P50/50, (the pressure at which the portion of two modes in sorption are equal the contribution of each adsorbed component in occupying Langmuir sites was evaluated. The results indicate that the relative significance of sorption mode for each component is a function of pressure and it is different for various polymers.
Sorption of curium by silica colloids: Effect of humic acid
International Nuclear Information System (INIS)
Kar, Aishwarya Soumitra; Kumar, Sumit; Tomar, B.S.; Manchanda, V.K.
2011-01-01
Sorption of curium by silica colloids has been studied as a function of pH and ionic strength using 244 Cm as a tracer. The sorption was found to increase with increasing pH and reach a saturation value of ∼95% at pH beyond 5.3. The effect of humic acid on the sorption of 244 Cm onto silica was studied by changing the order of addition of the metal ion and humic acid. In general, in the presence of humic acid (2 mg/L), the sorption increased at lower pH (<5) while it decreased in the pH range 6.5-8 and above pH 8, the sorption was found to increase again. As curium forms strong complex with humic acid, its presence results in the enhancement of curium sorption at lower pH. At higher pH the humic acid present in the solution competes with the surface sites for curium thus decreasing the sorption. The decrease in the Cm sorption in presence of humic acid was found to be less when humic acid was added after the addition of curium. Linear additive model qualitatively reproduced the profile of the Cm(III) sorption by silica in presence of humic acid at least in the lower pH region, however it failed to yield quantitative agreement with the experimental results. The results of the present study evidenced the incorporation of Cm into the silica matrix.
Comparing linear probability model coefficients across groups
DEFF Research Database (Denmark)
Holm, Anders; Ejrnæs, Mette; Karlson, Kristian Bernt
2015-01-01
of the following three components: outcome truncation, scale parameters and distributional shape of the predictor variable. These results point to limitations in using linear probability model coefficients for group comparisons. We also provide Monte Carlo simulations and real examples to illustrate......This article offers a formal identification analysis of the problem in comparing coefficients from linear probability models between groups. We show that differences in coefficients from these models can result not only from genuine differences in effects, but also from differences in one or more...... these limitations, and we suggest a restricted approach to using linear probability model coefficients in group comparisons....
Spaghetti Bridges: Modeling Linear Relationships
Kroon, Cindy D.
2016-01-01
Mathematics and science are natural partners. One of many examples of this partnership occurs when scientific observations are made, thus providing data that can be used for mathematical modeling. Developing mathematical relationships elucidates such scientific principles. This activity describes a data-collection activity in which students employ…
Modeling Manganese Sorption and Surface Oxidation During Filtration
Bierlein, Kevin Andrew
2012-01-01
Soluble manganese (Mn) is a common contaminant in drinking water sources. High levels of Mn can lead to aesthetic water quality problems, necessitating removal of Mn during treatment to minimize consumer complaints. Mn may be removed during granular media filtration by the â natural greensand effect,â in which soluble Mn adsorbs to manganese oxide-coated (MnOx(s)) media and is then oxidized by chlorine, forming more manganese oxide. This research builds on a previous model developed by Mer...
Modelling Zn(II) sorption onto clayey sediments using a multi-site ion-exchange model
International Nuclear Information System (INIS)
Tertre, E.; Beaucaire, C.; Coreau, N.; Juery, A.
2009-01-01
In environmental studies, it is necessary to be able to predict the behaviour of contaminants in more or less complex physico-chemical contexts. The improvement of this prediction partly depends on establishing thermodynamic models that can describe the behaviour of these contaminants and, in particular, the sorption reactions on mineral surfaces. In this way, based on the mass action law, it is possible to use surface complexation models and ion exchange models. Therefore, the aim of this study is (i) to develop an ion-exchange model able to describe the sorption of transition metal onto pure clay minerals and (ii) to test the ability of this approach to predict the sorption of these elements onto natural materials containing clay minerals (i.e. soils/sediments) under various chemical conditions. This study is focused on the behaviour of Zn(II) in the presence of clayey sediments. Considering that clay minerals are cation exchangers containing multiple sorption sites, it is possible to interpret the sorption of Zn(II), as well as competitor cations, by ion-exchange equilibria with the clay minerals. This approach is applied with success to interpret the experimental data obtained previously in the Zn(II)-H + -Na + -montmorillonite system. The authors' research team has already studied the behaviour of Na + , K + , Ca 2+ and Mg 2+ versus pH in terms of ion exchange onto pure montmorillonite, leading to the development of a thermodynamic database including the exchange site concentrations associated with montmorillonite and the selectivity coefficients of Na + , K + , Ca 2+ , Mg 2+ , and Zn 2+ versus H + . In the present study, experimental isotherms of Zn(II) on two different sediments in batch reactors at different pH and ionic strengths, using NaCl and CaSO 4 as electrolytes are reported. Assuming clay minerals are the main ion-exchanging phases, it is possible to predict Zn(II) sorption onto sediments under different experimental conditions, using the previously
Lin, Tingting; He, Yan; Xiao, Xiong; Yuan, Liang; Rao, Xiaoyong; Luo, Xiaojian
2010-04-01
Study on the moisture sorption process characteristics of traditional Chinese medicine extract powder, to establish a mathematical model, provide a new method for in-depth study for moisture sorption behavior of traditional Chinese medicine extract powder and a reference for determine the production cycle, and predict product stability. Analyzed moisture absorption process of traditional Chinese medicine extract powder by utilized the law of conservation of mass and Fick's first law to establish the double exponential absorption model, fitted the moisture absorption data and compared with other commonly used five kinds of model to estimate the double-exponential absorption model. The statistical analysis showed that the coefficient of determination (R2) of double exponential model, Weibull distribution model and first order kinetics model were large, but the residues sum of squares (RSS) and AIC values were small. Synthesized the practical application meaning, we consided that the double exponential model was more suitable for simulating the process of Chinese medicine extract powder moisture absorption. The double exponential is suitable for characterization the process of traditional Chinese medicine extract moisture absorption.
Non-linear finite element modeling
DEFF Research Database (Denmark)
Mikkelsen, Lars Pilgaard
The note is written for courses in "Non-linear finite element method". The note has been used by the author teaching non-linear finite element modeling at Civil Engineering at Aalborg University, Computational Mechanics at Aalborg University Esbjerg, Structural Engineering at the University...
Correlations and Non-Linear Probability Models
DEFF Research Database (Denmark)
Breen, Richard; Holm, Anders; Karlson, Kristian Bernt
2014-01-01
the dependent variable of the latent variable model and its predictor variables. We show how this correlation can be derived from the parameters of non-linear probability models, develop tests for the statistical significance of the derived correlation, and illustrate its usefulness in two applications. Under......Although the parameters of logit and probit and other non-linear probability models are often explained and interpreted in relation to the regression coefficients of an underlying linear latent variable model, we argue that they may also be usefully interpreted in terms of the correlations between...... certain circumstances, which we explain, the derived correlation provides a way of overcoming the problems inherent in cross-sample comparisons of the parameters of non-linear probability models....
Colloid chemistry: available sorption models and the question of colloid adhesion
International Nuclear Information System (INIS)
Grauer, R.
1990-05-01
A safety analysis of a radioactive waste repository should consider the possibility of nuclide transport by colloids. This would involve describing the sorption properties of the colloids and their transport in porous and fissured media. This report deals with a few selected aspects of the chemistry of this complex subject. Because the mechanisms of ion adsorption onto surfaces are material-specific, increased attention should be paid to identifying the material constitution of aquatic colloids. Suitable models already exist for describing reversible adsorption; these models describe sorption using mass action equations. The surface coordination model, developed for hydrous oxide surfaces, allows a uniform approach to be adopted for different classes of materials. This model is also predictive and has been applied successfully to natural systems. From the point of view of nuclide transport by colloids, irreversible sorption represents the most unfavourable situation. There is virtually no information available on the extent of reversibility and on the desorption kinetics of important nuclide/colloid combinations. Experimental investigations are therefore necessary in this respect. The only question considered in connection with colloid transport and its modelling is that of colloid sticking. Natural colloids, and the surfaces of the rock on which they may be collected, generally have negative surface charges so that colloid sticking will be difficult. The DLVO theory contains an approach for calculating the sticking factor from the surface potentials of the solid phases and the ionic strength of the water. However, it has been shown that this theory is inapplicable because of inherent shortcomings which lead to completely unrealistic predictions. The sticking probability of colloids should therefore be determined experimentally for systems which correspond as closely as possible to reality. (author) 66 figs., 12 tabs., 204 refs
Extended Linear Models with Gaussian Priors
DEFF Research Database (Denmark)
Quinonero, Joaquin
2002-01-01
In extended linear models the input space is projected onto a feature space by means of an arbitrary non-linear transformation. A linear model is then applied to the feature space to construct the model output. The dimension of the feature space can be very large, or even infinite, giving the model...... a very big flexibility. Support Vector Machines (SVM's) and Gaussian processes are two examples of such models. In this technical report I present a model in which the dimension of the feature space remains finite, and where a Bayesian approach is used to train the model with Gaussian priors...... on the parameters. The Relevance Vector Machine, introduced by Tipping, is a particular case of such a model. I give the detailed derivations of the expectation-maximisation (EM) algorithm used in the training. These derivations are not found in the literature, and might be helpful for newcomers....
Linear mixed models for longitudinal data
Molenberghs, Geert
2000-01-01
This paperback edition is a reprint of the 2000 edition. This book provides a comprehensive treatment of linear mixed models for continuous longitudinal data. Next to model formulation, this edition puts major emphasis on exploratory data analysis for all aspects of the model, such as the marginal model, subject-specific profiles, and residual covariance structure. Further, model diagnostics and missing data receive extensive treatment. Sensitivity analysis for incomplete data is given a prominent place. Several variations to the conventional linear mixed model are discussed (a heterogeity model, conditional linear mixed models). This book will be of interest to applied statisticians and biomedical researchers in industry, public health organizations, contract research organizations, and academia. The book is explanatory rather than mathematically rigorous. Most analyses were done with the MIXED procedure of the SAS software package, and many of its features are clearly elucidated. However, some other commerc...
Effect of humic acid on sorption of technetium by alumina
International Nuclear Information System (INIS)
Kumar, S.; Rawat, N.; Kar, A.S.; Tomar, B.S.; Manchanda, V.K.
2011-01-01
Highlights: → Tc sorption on alumina has been studied under aerobic as well anaerobic condition over pH 3-10. → Effect of humic acid on sorption of Tc by alumina has been investigated. → Linear additive modeling and surface complexation modeling were carried out to delineate the role of humic acid in Tc(IV) sorption in ternary system of Tc(IV)-humic acid-alumina. → Sorption of humic acid onto alumina and strong complexation of Tc(IV) with humic acid were found to govern the sorption of Tc(IV) in the ternary system. - Abstract: Sorption of technetium by alumina has been studied in absence as well as in presence of humic acid using 95 Tc m as a tracer. Measurements were carried out at fixed ionic strength (0.1 M NaClO 4 ) under varying pH (3-10) as well as redox (aerobic and reducing anaerobic) conditions. Under aerobic conditions, negligible sorption of technetium was observed onto alumina both in absence and in presence of humic acid. However, under reducing conditions (simulated with [Sn(II)] = 10 -6 M), presence of humic acid enhanced the sorption of technetium in the low pH region significantly and decreased at higher pH with respect to that in absence of humic acid. Linear additive as well as surface complexation modeling of Tc(IV) sorption in presence of humic acid indicated the predominant role of sorbed humic acid in deciding technetium sorption onto alumina.
Linear mixed models in sensometrics
DEFF Research Database (Denmark)
Kuznetsova, Alexandra
quality of decision making in Danish as well as international food companies and other companies using the same methods. The two open-source R packages lmerTest and SensMixed implement and support the methodological developments in the research papers as well as the ANOVA modelling part of the Consumer...... an open-source software tool ConsumerCheck was developed in this project and now is available for everyone. will represent a major step forward when concerns this important problem in modern consumer driven product development. Standard statistical software packages can be used for some of the purposes......Today’s companies and researchers gather large amounts of data of different kind. In consumer studies the objective is the collection of the data to better understand consumer acceptance of products. In such studies a number of persons (generally not trained) are selected in order to score products...
Gassmann, Matthias; Olsson, Oliver; Höper, Heinrich; Hamscher, Gerd; Kümmerer, Klaus
2016-04-01
The simulation of reactive transport in the aquatic environment is hampered by the ambiguity of environmental fate process conceptualizations for a specific substance in the literature. Concepts are usually identified by experimental studies and inverse modelling under controlled lab conditions in order to reduce environmental uncertainties such as uncertain boundary conditions and input data. However, since environmental conditions affect substance behaviour, a re-evaluation might be necessary under environmental conditions which might, in turn, be affected by uncertainties. Using a combination of experimental data and simulations of the leaching behaviour of the veterinary antibiotic Sulfamethazine (SMZ; synonym: sulfadimidine) and the hydrological tracer Bromide (Br) in a field lysimeter, we re-evaluated the sorption concepts of both substances under uncertain field conditions. Sampling data of a field lysimeter experiment in which both substances were applied twice a year with manure and sampled at the bottom of two lysimeters during three subsequent years was used for model set-up and evaluation. The total amount of leached SMZ and Br were 22 μg and 129 mg, respectively. A reactive transport model was parameterized to the conditions of the two lysimeters filled with monoliths (depth 2 m, area 1 m²) of a sandy soil showing a low pH value under which Bromide is sorptive. We used different sorption concepts such as constant and organic-carbon dependent sorption coefficients and instantaneous and kinetic sorption equilibrium. Combining the sorption concepts resulted in four scenarios per substance with different equations for sorption equilibrium and sorption kinetics. The GLUE (Generalized Likelihood Uncertainty Estimation) method was applied to each scenario using parameter ranges found in experimental and modelling studies. The parameter spaces for each scenario were sampled using a Latin Hypercube method which was refined around local model efficiency maxima
Linear causal modeling with structural equations
Mulaik, Stanley A
2009-01-01
Emphasizing causation as a functional relationship between variables that describe objects, Linear Causal Modeling with Structural Equations integrates a general philosophical theory of causation with structural equation modeling (SEM) that concerns the special case of linear causal relations. In addition to describing how the functional relation concept may be generalized to treat probabilistic causation, the book reviews historical treatments of causation and explores recent developments in experimental psychology on studies of the perception of causation. It looks at how to perceive causal
Statistical Tests for Mixed Linear Models
Khuri, André I; Sinha, Bimal K
2011-01-01
An advanced discussion of linear models with mixed or random effects. In recent years a breakthrough has occurred in our ability to draw inferences from exact and optimum tests of variance component models, generating much research activity that relies on linear models with mixed and random effects. This volume covers the most important research of the past decade as well as the latest developments in hypothesis testing. It compiles all currently available results in the area of exact and optimum tests for variance component models and offers the only comprehensive treatment for these models a
Matrix Tricks for Linear Statistical Models
Puntanen, Simo; Styan, George PH
2011-01-01
In teaching linear statistical models to first-year graduate students or to final-year undergraduate students there is no way to proceed smoothly without matrices and related concepts of linear algebra; their use is really essential. Our experience is that making some particular matrix tricks very familiar to students can substantially increase their insight into linear statistical models (and also multivariate statistical analysis). In matrix algebra, there are handy, sometimes even very simple "tricks" which simplify and clarify the treatment of a problem - both for the student and
International Nuclear Information System (INIS)
Bradbury, M.H.; Baeyens, B.
1994-04-01
A procedure for introducing exchange into geochemical/surface complexation codes is described. Beginning with selectivity coefficients, K c , defined in terms of equivalent fractional ion occupancies, a general expression for the molar based exchange code input parameters, K ex , is derived. In natural systems the uptake of nuclides onto complex sorbents often occurs by more than one mechanism. The incorporation of cation exchange and surface complexation into a geochemical code therefore enables sorption by both mechanisms to be calculated simultaneously. The code and model concepts are tested against sets of experimental data from widely different sorption studies. A proposal is made to set up a data base of selectivity coefficients. Such a data base would form part of a more general one consisting of sorption mechanism specific parameters to be used in conjunction with geochemical/sorption codes to model and predict sorption. (author) 6 figs., 6 tabs., 26 refs
Summary report on the evaluation of a 1977--1985 edited sorption data base for isotherm modeling
International Nuclear Information System (INIS)
Polzer, W.L.; Beckman, R.J.; Fuentes, H.R.; Yong, C.; Chan, P.; Rao, M.G.
1993-01-01
Sorption data bases collected by Los Alamos National Laboratory (LANL) from 1977 to 1985 for the Yucca Mountain Project.(YMP) have been inventoried and fitted with isotherm expressions. Effects of variables (e.g., particle size) on the isotherm were also evaluated. The sorption data are from laboratory batch measurements which were not designed specifically for isotherm modeling. However a limited number of data sets permitted such modeling. The analysis of those isotherm data can aid in the design of future sorption experiments and can provide expressions to be used in radionuclide transport modeling. Over 1200 experimental observations were inventoried for their adequacy to be modeled b isotherms and to evaluate the effects of variables on isotherms. About 15% of the observations provided suitable data sets for modeling. The data sets were obtained under conditions that include ambient temperature and two atmospheres, air and CO 2
Korichi, Smain; Bensmaili, Aicha
2009-09-30
This paper is an extension of a previous paper where the natural and purified clay in the homoionic Na form were physico-chemically characterized (doi:10.1016/j.clay.2008.04.014). In this study, the adsorption behavior of U (VI) on a purified Na-smectite suspension is studied using batch adsorption experiments and surface complexation modeling (double layer model). The sorption of uranium was investigated as a function of pH, uranium concentration, solid to liquid ratio, effect of natural organic matter (NOM) and NaNO(3) background electrolyte concentration. Using the MINTEQA2 program, the speciation of uranium was calculated as a function of pH and uranium concentration. Model predicted U (VI) aqueous speciation suggests that important aqueous species in the [U (VI)]=1mg/L and pH range 3-7 including UO(2)(2+), UO(2)OH(+), and (UO(2))(3)(OH)(5)(+). The concentration of UO(2)(2+) decreased and that of (UO(2))(3)(OH)(5)(+) increased with increasing pH. The potentiometric titration values and uptake of uranium in the sodium smectite suspension were simulated by FITEQL 4.0 program using a two sites model, which is composed of silicate and aluminum reaction sites. We compare the acidity constants values obtained by potentiometric titration from the purified sodium smectite with those obtained from single oxides (quartz and alpha-alumina), taking into account the surface heterogeneity and the complex nature of natural colloids. We investigate the uranium sorption onto purified Na-smectite assuming low, intermediate and high edge site surfaces which are estimated from specific surface area percentage. The sorption data is interpreted and modeled as a function of edge site surfaces. A relationship between uranium sorption and total site concentration was confirmed and explained through variation in estimated edge site surface value. The modeling study shows that, the convergence during DLM modeling is related to the best estimation of the edge site surface from the N(2
Modeling digital switching circuits with linear algebra
Thornton, Mitchell A
2014-01-01
Modeling Digital Switching Circuits with Linear Algebra describes an approach for modeling digital information and circuitry that is an alternative to Boolean algebra. While the Boolean algebraic model has been wildly successful and is responsible for many advances in modern information technology, the approach described in this book offers new insight and different ways of solving problems. Modeling the bit as a vector instead of a scalar value in the set {0, 1} allows digital circuits to be characterized with transfer functions in the form of a linear transformation matrix. The use of transf
Predictive models of circulating fluidized bed combustors: SO[sub 2] sorption in the CFB loop
Energy Technology Data Exchange (ETDEWEB)
Gidaspow, D.; Therdthianwong, A. (Illinois Inst. of Tech., Chicago, IL (United States). Dept. of Chemical Engineering)
1993-02-01
The overall objective of this investigation is to develop experimentally verified models for circulating fluidized bed (CFB) combustors. Sorption of S0[sub 2] with calcined limestone was studied in a PYROFLOW type CFB loop at conditions approximating those found in a CFB combustor. Initially the CFB loop contained 150 micron CaO particles of a density of 3.3 g/cm[sup 3] and air at 1143[degrees]K and 3.25 atm. Atzero time, air containing 600 ppm SO[sub 2], was introduced into the riser bottom at 1143[degrees]K. The effect of gas velocity, sorbent inventory and inlet pressure on the sorption of SO[sub 2], were studied isothermally by running our hydrodynamic code with the S0[sub 2] sorption conservation of species equation. At a velocity of 5m/sec., reported to be a typical velocity by PYROPOWER, there is reasonably good S0[sub 2] removal. At 10 m/sec the S0[sub 2] removal is poor. The best SO[sub 2], removal is for a velocity of 5 m/s and a high bed inventory, initial bed height, H = 9m. Most of the S0[sub 2] is removed in the first two meters of the reactor. However, the S0[sub 2] removal is not complete at the bed outlet. This is due to mixing. At the left wall of the reactor (wall opposite the solids inlet) the S0[sub 2] removal was poor due to gas bypassing caused by the asymmetrical solids inlet. Simulation of the PYROPOWER loop with a symmetrical inlet gave us an order of magnitude improvement over the conventional PYROPOWER system. These results demonstrate the practical utility of the predictive model that we have developed over the last three years.
Updating Linear Schedules with Lowest Cost: a Linear Programming Model
Biruk, Sławomir; Jaśkowski, Piotr; Czarnigowska, Agata
2017-10-01
Many civil engineering projects involve sets of tasks repeated in a predefined sequence in a number of work areas along a particular route. A useful graphical representation of schedules of such projects is time-distance diagrams that clearly show what process is conducted at a particular point of time and in particular location. With repetitive tasks, the quality of project performance is conditioned by the ability of the planner to optimize workflow by synchronizing the works and resources, which usually means that resources are planned to be continuously utilized. However, construction processes are prone to risks, and a fully synchronized schedule may expire if a disturbance (bad weather, machine failure etc.) affects even one task. In such cases, works need to be rescheduled, and another optimal schedule should be built for the changed circumstances. This typically means that, to meet the fixed completion date, durations of operations have to be reduced. A number of measures are possible to achieve such reduction: working overtime, employing more resources or relocating resources from less to more critical tasks, but they all come at a considerable cost and affect the whole project. The paper investigates the problem of selecting the measures that reduce durations of tasks of a linear project so that the cost of these measures is kept to the minimum and proposes an algorithm that could be applied to find optimal solutions as the need to reschedule arises. Considering that civil engineering projects, such as road building, usually involve less process types than construction projects, the complexity of scheduling problems is lower, and precise optimization algorithms can be applied. Therefore, the authors put forward a linear programming model of the problem and illustrate its principle of operation with an example.
Applicability of surface complexation modelling in TVO's studies on sorption of radionuclides
International Nuclear Information System (INIS)
Carlsson, T.
1994-03-01
The report focuses on the possibility of applying surface complexation theories to the conditions at a potential repository site in Finland and of doing proper experimental work in order to determine necessary constants for the models. The report provides background information on: (1) what type experiments should be carried out in order to produce data for surface complexation modelling of sorption phenomena under potential Finnish repository conditions, and (2) how to design and perform properly such experiments, in order to gather data, develop models or both. The report does not describe in detail how proper surface complexation experiments or modelling should be carried out. The work contains several examples of information that may be valuable in both modelling and experimental work. (51 refs., 6 figs., 4 tabs.)
Modeling of kinetics of Cr(VI) sorption onto grape stalk waste in a stirred batch reactor
International Nuclear Information System (INIS)
Escudero, Carlos; Fiol, Nuria; Poch, Jordi; Villaescusa, Isabel
2009-01-01
Recently, Cr(VI) removal by grape stalks has been postulated to follow two mechanisms, adsorption and reduction to trivalent chromium. Nevertheless, the rate at which both processes take place and the possible simultaneity of both processes has not been investigated. In this work, kinetics of Cr(VI) sorption onto grape stalk waste has been studied. Experiments were carried out at different temperatures but at a constant pH (3 ± 0.1) in a stirred batch reactor. Results showed that three steps take place in the process of Cr(VI) sorption onto grape stalk waste: Cr(VI) sorption, Cr(VI) reduction to Cr(III) and the adsorption of the formed Cr(III). Taking into account the evidences above mentioned, a model has been developed to predict Cr(VI) sorption on grape stalks on the basis of (i) irreversible reduction of Cr(VI) to Cr(III) reaction, whose reaction rate is assumed to be proportional to the Cr(VI) concentration in solution and (ii) adsorption and desorption of Cr(VI) and formed Cr(III) assuming that all the processes follow Langmuir type kinetics. The proposed model fits successfully the kinetic data obtained at different temperatures and describes the kinetics profile of total, hexavalent and trivalent chromium. The proposed model would be helpful for researchers in the field of Cr(VI) biosorption to design and predict the performance of sorption processes.
Directory of Open Access Journals (Sweden)
Amanda L. Ciosek
2017-07-01
Full Text Available This study investigates the sorption of heavy metallic ions (HMIs, specifically lead (Pb2+, copper (Cu2+, iron (Fe3+, nickel (Ni2+ and zinc (Zn2+, by natural zeolite (clinoptilolite. These HMIs are combined in single-, dual-, triple-, and multi-component systems. The batch mode experiments consist of a total initial concentration of 10 meq/L normality for all systems, acidified to a pH of 2 by concentrated nitric (HNO3 acid. A zeolite dosage of 4 g per 100 mL of synthetic nitrate salt aqueous solution is applied, for a contact period of 5 to 180 min. Existing kinetic models on HMIs sorption are limited for multi-component system combinations. Therefore, this study conducts kinetic analysis by both reaction and diffusion models, to quantify the sorption process. The study concludes that the process correlates best with the pseudo-second-order (PSO kinetic model. In the multi-component system combining all five HMIs, the initial sorption rate and theoretical equilibrium capacity are determined as 0.0033 meq/g·min and 0.1159 meq/g, respectively. This provides significant insight into the mechanisms associated with the sorption process, as well as contributing to the assessment of natural zeolite as a sorbent material in its application in industrial wastewater treatment.
A linear model of ductile plastic damage
International Nuclear Information System (INIS)
Lemaitre, J.
1983-01-01
A three-dimensional model of isotropic ductile plastic damage based on a continuum damage variable on the effective stress concept and on thermodynamics is derived. As shown by experiments on several metals and alloys, the model, integrated in the case of proportional loading, is linear with respect to the accumulated plastic strain and shows a large influence of stress triaxiality [fr
Ker, H. W.
2014-01-01
Multilevel data are very common in educational research. Hierarchical linear models/linear mixed-effects models (HLMs/LMEs) are often utilized to analyze multilevel data nowadays. This paper discusses the problems of utilizing ordinary regressions for modeling multilevel educational data, compare the data analytic results from three regression…
Faraway, Julian J
2005-01-01
Linear models are central to the practice of statistics and form the foundation of a vast range of statistical methodologies. Julian J. Faraway''s critically acclaimed Linear Models with R examined regression and analysis of variance, demonstrated the different methods available, and showed in which situations each one applies. Following in those footsteps, Extending the Linear Model with R surveys the techniques that grow from the regression model, presenting three extensions to that framework: generalized linear models (GLMs), mixed effect models, and nonparametric regression models. The author''s treatment is thoroughly modern and covers topics that include GLM diagnostics, generalized linear mixed models, trees, and even the use of neural networks in statistics. To demonstrate the interplay of theory and practice, throughout the book the author weaves the use of the R software environment to analyze the data of real examples, providing all of the R commands necessary to reproduce the analyses. All of the ...
Energy Technology Data Exchange (ETDEWEB)
Jarvis, Nicholas, E-mail: nicholas.jarvis@slu.se
2016-01-01
Models used to assess leaching of pesticides to groundwater still rely on the sorption k{sub oc} value, even though its limitations have been known for several decades, especially for soils of low organic carbon content (i.e. subsoils). This is mainly because the general applicability of any improved model approach that is also simple enough to use for regulatory purposes has not been demonstrated. The objective of this study was to test and compare alternative models of sorption that could be useful in pesticide risk assessment and management. To this end, a database containing the results of batch sorption experiments for pesticides was compiled from published studies in the literature, which placed at least as much emphasis on measurements in subsoil horizons as in topsoil. The database includes 785 data entries from 34 different published studies and for 21 different active substances. Overall, the apparent k{sub oc} value, k{sub oc(app)}, roughly doubled as the soil organic carbon content decreased by a factor of ten. Nevertheless, in nearly half of the individual datasets, a constant k{sub oc} value proved to be an adequate model. Further analysis showed that significant increases in k{sub oc(app)} in subsoil were found primarily for the more weakly adsorbing compounds (k{sub oc} values < ca. 100–200 L kg{sup −1}) and that sorption to clay in loamy and clayey-textured subsoil horizons was the main cause. Tests with the MACRO model demonstrated that sorption to clay minerals may significantly affect the outcome of regulatory exposure and risk assessments for leaching to groundwater. The k{sub oc} concept currently used in leaching models should therefore be replaced by an alternative approach that gives a more realistic representation of pesticide sorption in subsoil. The two alternative models tested in this study appear to have widespread applicability and are also simple enough to parameterize for this purpose. - Highlights: • A database was collated
Kret, E; Kiecak, A; Malina, G; Nijenhuis, I; Postawa, A
2015-07-01
The main aim of this study was to determine the sorption and biodegradation parameters of trichloroethene (TCE) and tetrachloroethene (PCE) as input data required for their fate and transport modelling in a Quaternary sandy aquifer. Sorption was determined based on batch and column experiments, while biodegradation was investigated using the compound-specific isotope analysis (CSIA). The aquifer materials medium (soil 1) to fine (soil 2) sands and groundwater samples came from the representative profile of the contaminated site (south-east Poland). The sorption isotherms were approximately linear (TCE, soil 1, K d = 0.0016; PCE, soil 1, K d = 0.0051; PCE, soil 2, K d = 0.0069) except for one case in which the best fitting was for the Langmuir isotherm (TCE, soil 2, K f = 0.6493 and S max = 0.0145). The results indicate low retardation coefficients (R) of TCE and PCE; however, somewhat lower values were obtained in batch compared to column experiments. In the column experiments with the presence of both contaminants, TCE influenced sorption of PCE, so that the R values for both compounds were almost two times higher. Non-significant differences in isotope compositions of TCE and PCE measured in the observation points (δ(13)C values within the range of -23.6 ÷ -24.3‰ and -26.3 ÷-27.7‰, respectively) indicate that biodegradation apparently is not an important process contributing to the natural attenuation of these contaminants in the studied sandy aquifer.
Moisture sorption of Thai red curry powder
Directory of Open Access Journals (Sweden)
Sudathip Inchuen
2009-12-01
Full Text Available Moisture sorption study was conducted on Thai red curry powder prepared by two different drying methods, viz. microwave and hot-air drying. Moisture sorption isotherms of the red curry powder at 30 C and water activity in the range of 0.113-0.970 were determined by a static gravimetric method. The isotherms exhibited Type III behaviour. The moisture sorption data were fitted to several sorption models and a non-linear regression analysis method was used to evaluate the constants of the sorption equations. The fit was evaluated using the coefficient of determination (R2, the reduced chi-square (2 and the root mean square error (RMSE. The GAB model followed by the Lewiski-3 model gave the best fit to the experimental data. The monolayer moisture content, taken as the safe minimum moisture level in the red curry powder, was determined using the BET equation and was found to range between 0.080 - 0.085 gram water per gram dry matter.
Mathematical model of the sorption phenomenon of methanol in activated coal
Energy Technology Data Exchange (ETDEWEB)
Cortes, Farid B.; Chejne, Farid; Mejia, Juan M.; Londono, Carlos A. [Grupo de Termodinamica Aplicada y Energias Alternativas - Instituto de Energia, Facultad de Minas, Universidad Nacional de Colombia, sede Medellin (Colombia)
2009-05-15
A transient model of a sorption refrigerator using activated carbon/methanol pair is presented. It is a non-uniform pressure model conformed by the mass, energy and momentum balance equations in cylindrical coordinates, for the activated coal bed contained in the adsorber. The results obtained from the simulation were suitably validated by the experimental information obtained from field test data and from data reported in the literature, presenting errors below 1.6% for each cycle step. The model allows to get data of temperature, pressure, density and gas velocity profiles in radial direction, as well as the solid temperature and the quantity of adsorbed methanol in the activated carbon bed in adsorption/evaporation and desorption/condensation steps. (author)
Mathematical model of the sorption phenomenon of methanol in activated coal
International Nuclear Information System (INIS)
Cortes, Farid B.; Chejne, Farid; Mejia, Juan M.; Londono, Carlos A.
2009-01-01
A transient model of a sorption refrigerator using activated carbon/methanol pair is presented. It is a non-uniform pressure model conformed by the mass, energy and momentum balance equations in cylindrical coordinates, for the activated coal bed contained in the adsorber. The results obtained from the simulation were suitably validated by the experimental information obtained from field test data and from data reported in the literature, presenting errors below 1.6% for each cycle step. The model allows to get data of temperature, pressure, density and gas velocity profiles in radial direction, as well as the solid temperature and the quantity of adsorbed methanol in the activated carbon bed in adsorption/evaporation and desorption/condensation steps.
Ground Motion Models for Future Linear Colliders
International Nuclear Information System (INIS)
Seryi, Andrei
2000-01-01
Optimization of the parameters of a future linear collider requires comprehensive models of ground motion. Both general models of ground motion and specific models of the particular site and local conditions are essential. Existing models are not completely adequate, either because they are too general, or because they omit important peculiarities of ground motion. The model considered in this paper is based on recent ground motion measurements performed at SLAC and at other accelerator laboratories, as well as on historical data. The issues to be studied for the models to become more predictive are also discussed
Barret, Maialen; Patureau, Dominique; Latrille, Eric; Carrère, Hélène
2010-01-01
In sludge resulting from wastewater treatment, organic micropollutants sorb to particles and to dissolved/colloidal matter (DCM). Both interactions may influence their physical and biological fate throughout the wastewater treatment processes. To our knowledge, sludge has never been considered as a three-compartment matrix, in which micropollutants coexist in three states: freely dissolved, sorbed-to-particles and sorbed-to-DCM. A methodology is proposed to concomitantly determine equilibrium constants of sorption to particles (K(part)) and to DCM (K(DCM)). Polycyclic Aromatic Hydrocarbons (PAHs) were chosen as model compounds for the experiments. The logarithm of estimated equilibrium constants ranged from 3.1 to 4.3 and their usual correlation to PAH hydrophobicity was verified. Moreover, PAH affinities for particles and for DCM could be compared. Affinity for particles was found to be stronger, probably due to their physical and chemical characteristics. This work provided a useful tool to assess the freely dissolved, sorbed-to-particles and sorbed-to-DCM concentrations of contaminants, which are necessary to accurately predict their fate. Besides, guidelines to investigate the link between sorption and the fundamental concept of bioavailability were proposed. (c) 2009 Elsevier Ltd. All rights reserved.
International Nuclear Information System (INIS)
Baeyens, B.; Bradbury, M.H.
1995-07-01
Titration and sorption measurements, carried out under a wide variety of conditions on Na-montmorillonite, were examined in terms of cation exchange and surface complexation mechanisms. A computer code called MINSORB was developed and used throughout this work. This code allowed the uptake of radionuclides by both mechanisms to be calculated simultaneously; also taking into account competitive reactions from other cations present. A stepwise iterative fitting/modelling procedure is described. For the case of Na-montmorillonite it is demonstrated that an electrostatic term in the surface complexation model is not required. A basic data set comprising of site capacities and protonation/deprotonation constants was defined, which was valid for all surface complexation sorption reactions. The main study was carried out with Ni, but impurity cations present in the system, particularly Zn, had to be examined in addition due to their competitive effects on Ni sorption. The surface complexation behaviour of Ni and Zn was investigated in detail to give intrinsic surface complexation constants on two of the =SOH type sites included in the model. The sorption of Mg, Ca and Mn is also considered, though in less detail, and estimated surface complexation constants for these nuclides are presented. Cation exchange was included in all of the calculations. Measured selectivity coefficients for Ni-Na, Zn-Na and Ca-Na exchange reactions are given. The model, with the derived parameters, allowed all the data from titration measurements through sorption edges to sorption isotherms to be calculated. (author) 31 figs., 9 tabs., refs
International Nuclear Information System (INIS)
Baeyens, B.; Bradbury, M.H.
1995-07-01
Titration and sorption measurements, carried out under a wide variety of conditions on Na-montmorillonite, were examined in terms of cation exchange and surface complexation mechanisms. A computer code called MINSORB was developed and used throughout this work. This code allowed the uptake of radionuclides by both mechanisms to be calculated simultaneously; also taking into account competitive reactions from other cations present. A stepwise iterative fitting/modelling procedure is described. For the case of Na-montmorillonite it is demonstrated that an electrostatic term in the surface complexation model is not required. A basic data set comprising of site capacities and protonation/deprotonation constants was defined, which was valid for all surface complexation sorption reactions. The main study was carried out with Ni, but impurity cations present in the system, particularly Zn, had to be examined in addition due to their competitive effects on Ni sorption. The surface complexation behaviour of Ni and Zn was investigated in detail to give intrinsic surface complexation constants on two of the ≡SOH type sites included in the model. The sorption of Mg, Ca and Mn is also considered, though in less detail, and estimated surface complexation constants for these nuclides are presented. Cation exchange was included in all of the calculations. Measured selectivity coefficients for Ni-Na, Zn-Na and Ca-Na exchange reactions are given. The model, with the derived parameters, allowed all the data from titration measurements through sorption edges to sorption isotherms to be calculated. (author) 31 figs., 9 tabs., refs
Modelling female fertility traits in beef cattle using linear and non-linear models.
Naya, H; Peñagaricano, F; Urioste, J I
2017-06-01
Female fertility traits are key components of the profitability of beef cattle production. However, these traits are difficult and expensive to measure, particularly under extensive pastoral conditions, and consequently, fertility records are in general scarce and somehow incomplete. Moreover, fertility traits are usually dominated by the effects of herd-year environment, and it is generally assumed that relatively small margins are kept for genetic improvement. New ways of modelling genetic variation in these traits are needed. Inspired in the methodological developments made by Prof. Daniel Gianola and co-workers, we assayed linear (Gaussian), Poisson, probit (threshold), censored Poisson and censored Gaussian models to three different kinds of endpoints, namely calving success (CS), number of days from first calving (CD) and number of failed oestrus (FE). For models involving FE and CS, non-linear models overperformed their linear counterparts. For models derived from CD, linear versions displayed better adjustment than the non-linear counterparts. Non-linear models showed consistently higher estimates of heritability and repeatability in all cases (h 2 linear models; h 2 > 0.23 and r > 0.24, for non-linear models). While additive and permanent environment effects showed highly favourable correlations between all models (>0.789), consistency in selecting the 10% best sires showed important differences, mainly amongst the considered endpoints (FE, CS and CD). In consequence, endpoints should be considered as modelling different underlying genetic effects, with linear models more appropriate to describe CD and non-linear models better for FE and CS. © 2017 Blackwell Verlag GmbH.
Khan, Farman U; Qamar, Shamsul
2017-05-01
A set of analytical solutions are presented for a model describing the transport of a solute in a fixed-bed reactor of cylindrical geometry subjected to the first (Dirichlet) and third (Danckwerts) type inlet boundary conditions. Linear sorption kinetic process and first-order decay are considered. Cylindrical geometry allows the use of large columns to investigate dispersion, adsorption/desorption and reaction kinetic mechanisms. The finite Hankel and Laplace transform techniques are adopted to solve the model equations. For further analysis, statistical temporal moments are derived from the Laplace-transformed solutions. The developed analytical solutions are compared with the numerical solutions of high-resolution finite volume scheme. Different case studies are presented and discussed for a series of numerical values corresponding to a wide range of mass transfer and reaction kinetics. A good agreement was observed in the analytical and numerical concentration profiles and moments. The developed solutions are efficient tools for analyzing numerical algorithms, sensitivity analysis and simultaneous determination of the longitudinal and transverse dispersion coefficients from a laboratory-scale radial column experiment. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.
Modelling point patterns with linear structures
DEFF Research Database (Denmark)
Møller, Jesper; Rasmussen, Jakob Gulddahl
2009-01-01
processes whose realizations contain such linear structures. Such a point process is constructed sequentially by placing one point at a time. The points are placed in such a way that new points are often placed close to previously placed points, and the points form roughly line shaped structures. We...... consider simulations of this model and compare with real data....
Modelling point patterns with linear structures
DEFF Research Database (Denmark)
Møller, Jesper; Rasmussen, Jakob Gulddahl
processes whose realizations contain such linear structures. Such a point process is constructed sequentially by placing one point at a time. The points are placed in such a way that new points are often placed close to previously placed points, and the points form roughly line shaped structures. We...... consider simulations of this model and compare with real data....
Optimal designs for linear mixture models
Mendieta, E.J.; Linssen, H.N.; Doornbos, R.
1975-01-01
In a recent paper Snee and Marquardt [8] considered designs for linear mixture models, where the components are subject to individual lower and/or upper bounds. When the number of components is large their algorithm XVERT yields designs far too extensive for practical purposes. The purpose of this
Optimal designs for linear mixture models
Mendieta, E.J.; Linssen, H.N.; Doornbos, R.
1975-01-01
In a recent paper Snee and Marquardt (1974) considered designs for linear mixture models, where the components are subject to individual lower and/or upper bounds. When the number of components is large their algorithm XVERT yields designs far too extensive for practical purposes. The purpose of
Linear factor copula models and their properties
Krupskii, Pavel; Genton, Marc G.
2018-01-01
We consider a special case of factor copula models with additive common factors and independent components. These models are flexible and parsimonious with O(d) parameters where d is the dimension. The linear structure allows one to obtain closed form expressions for some copulas and their extreme‐value limits. These copulas can be used to model data with strong tail dependencies, such as extreme data. We study the dependence properties of these linear factor copula models and derive the corresponding limiting extreme‐value copulas with a factor structure. We show how parameter estimates can be obtained for these copulas and apply one of these copulas to analyse a financial data set.
Linear factor copula models and their properties
Krupskii, Pavel
2018-04-25
We consider a special case of factor copula models with additive common factors and independent components. These models are flexible and parsimonious with O(d) parameters where d is the dimension. The linear structure allows one to obtain closed form expressions for some copulas and their extreme‐value limits. These copulas can be used to model data with strong tail dependencies, such as extreme data. We study the dependence properties of these linear factor copula models and derive the corresponding limiting extreme‐value copulas with a factor structure. We show how parameter estimates can be obtained for these copulas and apply one of these copulas to analyse a financial data set.
Diagnostics for Linear Models With Functional Responses
Xu, Hongquan; Shen, Qing
2005-01-01
Linear models where the response is a function and the predictors are vectors are useful in analyzing data from designed experiments and other situations with functional observations. Residual analysis and diagnostics are considered for such models. Studentized residuals are defined and their properties are studied. Chi-square quantile-quantile plots are proposed to check the assumption of Gaussian error process and outliers. Jackknife residuals and an associated test are proposed to det...
Non-linear Loudspeaker Unit Modelling
DEFF Research Database (Denmark)
Pedersen, Bo Rohde; Agerkvist, Finn T.
2008-01-01
Simulations of a 6½-inch loudspeaker unit are performed and compared with a displacement measurement. The non-linear loudspeaker model is based on the major nonlinear functions and expanded with time-varying suspension behaviour and flux modulation. The results are presented with FFT plots of thr...... frequencies and different displacement levels. The model errors are discussed and analysed including a test with loudspeaker unit where the diaphragm is removed....
DEFF Research Database (Denmark)
Polesel, Fabio; Lehnberg, Kai; Dott, Wolfgang
The sorption process can impact the removal of specific pharmaceuticals in municipal wastewater treatment plants (WWTPs). Ionic interactions (e.g., pH-driven equilibria and complexation), rather than hydrophobic interactions, are known to affect the sorption of zwitterionic pharmaceuticals...
Acceptability of inversely-modelled parameters for non-equilibrium sorption of pesticides in soil
Horst, ter M.M.S.; Boesten, J.J.T.I.; Beinum, van W.; Beulke, S.
2013-01-01
Simulation of the increase of sorption in time is one of the options in higher tiers of pesticide regulatory leaching assessments to obtain more realistic leaching estimates. Therefore, accurate estimates of non-equilibrium sorption parameters are required as input for the pesticide leaching
[From clinical judgment to linear regression model.
Palacios-Cruz, Lino; Pérez, Marcela; Rivas-Ruiz, Rodolfo; Talavera, Juan O
2013-01-01
When we think about mathematical models, such as linear regression model, we think that these terms are only used by those engaged in research, a notion that is far from the truth. Legendre described the first mathematical model in 1805, and Galton introduced the formal term in 1886. Linear regression is one of the most commonly used regression models in clinical practice. It is useful to predict or show the relationship between two or more variables as long as the dependent variable is quantitative and has normal distribution. Stated in another way, the regression is used to predict a measure based on the knowledge of at least one other variable. Linear regression has as it's first objective to determine the slope or inclination of the regression line: Y = a + bx, where "a" is the intercept or regression constant and it is equivalent to "Y" value when "X" equals 0 and "b" (also called slope) indicates the increase or decrease that occurs when the variable "x" increases or decreases in one unit. In the regression line, "b" is called regression coefficient. The coefficient of determination (R 2 ) indicates the importance of independent variables in the outcome.
Equilibrium modeling of mono and binary sorption of Cu(II and Zn(II onto chitosan gel beads
Directory of Open Access Journals (Sweden)
Nastaj Józef
2016-12-01
Full Text Available The objective of the work are in-depth experimental studies of Cu(II and Zn(II ion removal on chitosan gel beads from both one- and two-component water solutions at the temperature of 303 K. The optimal process conditions such as: pH value, dose of sorbent and contact time were determined. Based on the optimal process conditions, equilibrium and kinetic studies were carried out. The maximum sorption capacities equaled: 191.25 mg/g and 142.88 mg/g for Cu(II and Zn(II ions respectively, when the sorbent dose was 10 g/L and the pH of a solution was 5.0 for both heavy metal ions. One-component sorption equilibrium data were successfully presented for six of the most useful three-parameter equilibrium models: Langmuir-Freundlich, Redlich-Peterson, Sips, Koble-Corrigan, Hill and Toth. Extended forms of Langmuir-Freundlich, Koble-Corrigan and Sips models were also well fitted to the two-component equilibrium data obtained for different ratios of concentrations of Cu(II and Zn(II ions (1:1, 1:2, 2:1. Experimental sorption data were described by two kinetic models of the pseudo-first and pseudo-second order. Furthermore, an attempt to explain the mechanisms of the divalent metal ion sorption process on chitosan gel beads was undertaken.
Testing Parametric versus Semiparametric Modelling in Generalized Linear Models
Härdle, W.K.; Mammen, E.; Müller, M.D.
1996-01-01
We consider a generalized partially linear model E(Y|X,T) = G{X'b + m(T)} where G is a known function, b is an unknown parameter vector, and m is an unknown function.The paper introduces a test statistic which allows to decide between a parametric and a semiparametric model: (i) m is linear, i.e.
Modeling of Volatility with Non-linear Time Series Model
Kim Song Yon; Kim Mun Chol
2013-01-01
In this paper, non-linear time series models are used to describe volatility in financial time series data. To describe volatility, two of the non-linear time series are combined into form TAR (Threshold Auto-Regressive Model) with AARCH (Asymmetric Auto-Regressive Conditional Heteroskedasticity) error term and its parameter estimation is studied.
Ahrens, B.; Schrumpf, M.; Reichstein, M.
2013-12-01
Subsoil soil organic carbon (SOC) is characterized by conventional radiocarbon ages on the order of centuries to millennia. Most vertically explicit SOC turnover models represent this persistence of deep SOC by one pool that has millennial turnover times. This approach lumps different stabilizing mechanisms such as chemical recalcitrance, sorptive stabilization and energy limitation into a single rate constant. As an alternative, we present a continuous, vertically explicit SOC decomposition model that allows for stabilization via sorption and microbial interactions (COMISSION model). We compare the COMISSION model with the SOC profile of a Haplic Podzol under a Norway spruce forest. In the COMISSION model two pools receive aboveground litter input and vertically distributed root litter input. The readily leachable and soluble fraction of litter input enters a dissolved organic carbon pool (DOC), while the rest enters the residue pool which represents polymeric, non-soluble SOC. The residue pool is depolymerized with extracellular enzymes produced by a microbial pool to enter the DOC pool which represents SOC potentially available for assimilation by microbes. The adsorption/desorption of DOC from/to mineral surfaces controls the availability of carbon in the DOC pool for assimilatory uptake by microbes. The sorption of DOC is modeled with dynamic Langmuir equations. The desorbed part of the DOC pool not only constitutes the substrate for the microbial pool, but is also transported via advection. Interactions of microbes with the residue and DOC pool are modeled with Michaelis-Menten kinetics - this not only allows representing ';priming', but also the retardation of decomposition via energy limitation in the deep soil where substrate is scarce. Further, soil organic matter is recycled within the soil profile through microbial processing - dead microbes either enter the DOC or the residue pool, and thereby also contribute to longer residence times with soil depth
Thresholding projection estimators in functional linear models
Cardot, Hervé; Johannes, Jan
2010-01-01
We consider the problem of estimating the regression function in functional linear regression models by proposing a new type of projection estimators which combine dimension reduction and thresholding. The introduction of a threshold rule allows to get consistency under broad assumptions as well as minimax rates of convergence under additional regularity hypotheses. We also consider the particular case of Sobolev spaces generated by the trigonometric basis which permits to get easily mean squ...
Decomposed Implicit Models of Piecewise - Linear Networks
Directory of Open Access Journals (Sweden)
J. Brzobohaty
1992-05-01
Full Text Available The general matrix form of the implicit description of a piecewise-linear (PWL network and the symbolic block diagram of the corresponding circuit model are proposed. Their decomposed forms enable us to determine quite separately the existence of the individual breakpoints of the resultant PWL characteristic and their coordinates using independent network parameters. For the two-diode and three-diode cases all the attainable types of the PWL characteristic are introduced.
A surface complexation model of YREE sorption on Ulva lactuca in 0.05-5.0 M NaCl solutions
Zoll, Alison M.; Schijf, Johan
2012-11-01
We present distribution coefficients, log iKS, for the sorption of yttrium and the rare earth elements (YREEs) on BCR-279, a dehydrated tissue homogenate of a marine macroalga, Ulva lactuca, resembling materials featured in chemical engineering studies aimed at designing renewable biosorbents. Sorption experiments were conducted in NaCl solutions of different ionic strength (0.05, 0.5, and 5.0 M) at T = 25 °C over the pH range 2.7-8.5. Distribution coefficients based on separation of the dissolved and particulate phase by conventional filtration (3 kDa) using an existing pH-dependent model. Colloid-corrected values were renormalized to free-cation concentrations by accounting for YREE hydrolysis and chloride complexation. At each ionic strength, the pH dependence of the renormalized values is accurately described with a non-electrostatic surface complexation model (SCM) that incorporates YREE binding to three monoprotic functional groups, previously characterized by alkalimetric titration, as well as binding of YREE-hydroxide complexes (MOH2+) to the least acidic one (pKa ∼ 9.5). In non-linear regressions of the distribution coefficients as a function of pH, each pKa was fixed at its reported value, while stability constants of the four YREE surface complexes were used as adjustable parameters. Data for a single fresh U. lactuca specimen in 0.5 M NaCl show generally the same pH-dependent behavior but a lower degree of sorption and were excluded from the regressions. Good linear free-energy relations (LFERs) between stability constants of the YREE-acetate and YREE-hydroxide solution complex and surface complexes with the first and third functional group, respectively, support their prior tentative identifications as carboxyl and phenol. A similar confirmation for the second group is precluded by insufficient knowledge of the stability of YREE-phosphate complexes and a perceived lack of YREE binding in 0.05 M NaCl; this issue awaits further study. The results
Sorption Isotherm Modelling Of Fermented Cassava Flour by Red Yeast Rice
Cahyanti, M. N.; Alfiah, M. N.; Hartini, S.
2018-04-01
The objective of the study is to determine the characteristic of moisture sorption isotherm from fermented cassava flour by red yeast rice using various modeling. This research used seven salt solutions and storage temperature of 298K, 303K, and 308K. The models used were Brunauer-Emmet-Teller (BET), Guggenheim-Anderson-de Boer (GAB) and Caurie model. The monolayer moisture content was around 4.51 – 5.99% db. Constant related to absorption heat in the multilayer area of [GAB model was around 0.86-0,91. Constant related to absorption heat in the monolayer area of GAB model was around 4.67-5.97. Constant related to absorption heat in the monolayer area of BET model was around 4.83-7.04. Caurie constant was around 1.25-1.59. The equilibrium and monolayer moisture content on fermented cassava flour by red yeast rice was decreasing as increasing temperature. GAB constant value indicated that the process of moisture absorption on the fermented cassava flour by red yeast rice categorized in type II.
From spiking neuron models to linear-nonlinear models.
Ostojic, Srdjan; Brunel, Nicolas
2011-01-20
Neurons transform time-varying inputs into action potentials emitted stochastically at a time dependent rate. The mapping from current input to output firing rate is often represented with the help of phenomenological models such as the linear-nonlinear (LN) cascade, in which the output firing rate is estimated by applying to the input successively a linear temporal filter and a static non-linear transformation. These simplified models leave out the biophysical details of action potential generation. It is not a priori clear to which extent the input-output mapping of biophysically more realistic, spiking neuron models can be reduced to a simple linear-nonlinear cascade. Here we investigate this question for the leaky integrate-and-fire (LIF), exponential integrate-and-fire (EIF) and conductance-based Wang-Buzsáki models in presence of background synaptic activity. We exploit available analytic results for these models to determine the corresponding linear filter and static non-linearity in a parameter-free form. We show that the obtained functions are identical to the linear filter and static non-linearity determined using standard reverse correlation analysis. We then quantitatively compare the output of the corresponding linear-nonlinear cascade with numerical simulations of spiking neurons, systematically varying the parameters of input signal and background noise. We find that the LN cascade provides accurate estimates of the firing rates of spiking neurons in most of parameter space. For the EIF and Wang-Buzsáki models, we show that the LN cascade can be reduced to a firing rate model, the timescale of which we determine analytically. Finally we introduce an adaptive timescale rate model in which the timescale of the linear filter depends on the instantaneous firing rate. This model leads to highly accurate estimates of instantaneous firing rates.
Energy Technology Data Exchange (ETDEWEB)
Vandergraaf, T T; Ticknor, K V
1994-09-01
We describe the development of a parametric model that expresses sorption of trace amounts of radioactive and chemically toxic elements from groundwater on geological material as a function of two independent variables: the concentration of the trace element, and the total dissolved solids used to provide sorption coefficients for a contaminant transport model used in performance assessment calculations for a case study of a hypothetical nuclear fuel waste disposal concept in an extensively characterized intrusive rock formation, the Lac du Bonnet batholith. The sorption database in this report is based on laboratory results, literature surveys, and chemical homologs. The arguments used to apply sorption data obtained on unconsolidated material to contaminant transport through intact rock are described. Data are presented for the sorption of 39 elements on three rock types and on 13 primary and secondary minerals, under oxic and anoxic conditions. 166 refs., 12 figs., 4 tabs.
Nonlinear chemical sorption isotherms in the assessment of nuclear fuel waste disposal
International Nuclear Information System (INIS)
Walker, J.R.; LeNeveu, D.M.
1987-01-01
Radionuclides emplaced in an underground disposal vault can possibly migrate from the vault, and through the geosphere, to enter Man's environment. Chemical sorption is a primary mechanism for retarding this migration. The effects of nonlinear chemical sorption isotherms on radionuclide transport are discussed. A method is given by which nonlinear isotherms can be approximated by the linear sorption isotherm used in the vault submodel. The relevance of nonlinear isotherms to transport in the geosphere is discussed, and it is shown that the linear isotherm model is conservative for deep geologic disposal. 22 refs
Stochastic linear programming models, theory, and computation
Kall, Peter
2011-01-01
This new edition of Stochastic Linear Programming: Models, Theory and Computation has been brought completely up to date, either dealing with or at least referring to new material on models and methods, including DEA with stochastic outputs modeled via constraints on special risk functions (generalizing chance constraints, ICC’s and CVaR constraints), material on Sharpe-ratio, and Asset Liability Management models involving CVaR in a multi-stage setup. To facilitate use as a text, exercises are included throughout the book, and web access is provided to a student version of the authors’ SLP-IOR software. Additionally, the authors have updated the Guide to Available Software, and they have included newer algorithms and modeling systems for SLP. The book is thus suitable as a text for advanced courses in stochastic optimization, and as a reference to the field. From Reviews of the First Edition: "The book presents a comprehensive study of stochastic linear optimization problems and their applications. … T...
Glynn, P.D.
2003-01-01
One-dimensional (1D) geochemical transport modeling is used to demonstrate the effects of speciation and sorption reactions on the ground-water transport of Np and Pu, two redox-sensitive elements. Earlier 1D simulations (Reardon, 1981) considered the kinetically limited dissolution of calcite and its effect on ion-exchange reactions (involving 90Sr, Ca, Na, Mg and K), and documented the spatial variation of a 90Sr partition coefficient under both transient and steady-state chemical conditions. In contrast, the simulations presented here assume local equilibrium for all reactions, and consider sorption on constant potential, rather than constant charge, surfaces. Reardon's (1981) seminal findings on the spatial and temporal variability of partitioning (of 90Sr) are reexamined and found partially caused by his assumption of a kinetically limited reaction. In the present work, sorption is assumed the predominant retardation process controlling Pu and Np transport, and is simulated using a diffuse-double-layer-surface-complexation (DDLSC) model. Transport simulations consider the infiltration of Np- and Pu-contaminated waters into an initially uncontaminated environment, followed by the cleanup of the resultant contamination with uncontaminated water. Simulations are conducted using different spatial distributions of sorption capacities (with the same total potential sorption capacity, but with different variances and spatial correlation structures). Results obtained differ markedly from those that would be obtained in transport simulations using constant Kd, Langmuir or Freundlich sorption models. When possible, simulation results (breakthrough curves) are fitted to a constant K d advection-dispersion transport model and compared. Functional differences often are great enough that they prevent a meaningful fit of the simulation results with a constant K d (or even a Langmuir or Freundlich) model, even in the case of Np, a weakly sorbed radionuclide under the
Linear accelerator modeling: development and application
International Nuclear Information System (INIS)
Jameson, R.A.; Jule, W.D.
1977-01-01
Most of the parameters of a modern linear accelerator can be selected by simulating the desired machine characteristics in a computer code and observing how the parameters affect the beam dynamics. The code PARMILA is used at LAMPF for the low-energy portion of linacs. Collections of particles can be traced with a free choice of input distributions in six-dimensional phase space. Random errors are often included in order to study the tolerances which should be imposed during manufacture or in operation. An outline is given of the modifications made to the model, the results of experiments which indicate the validity of the model, and the use of the model to optimize the longitudinal tuning of the Alvarez linac
Running vacuum cosmological models: linear scalar perturbations
Energy Technology Data Exchange (ETDEWEB)
Perico, E.L.D. [Instituto de Física, Universidade de São Paulo, Rua do Matão 1371, CEP 05508-090, São Paulo, SP (Brazil); Tamayo, D.A., E-mail: elduartep@usp.br, E-mail: tamayo@if.usp.br [Departamento de Astronomia, Universidade de São Paulo, Rua do Matão 1226, CEP 05508-900, São Paulo, SP (Brazil)
2017-08-01
In cosmology, phenomenologically motivated expressions for running vacuum are commonly parameterized as linear functions typically denoted by Λ( H {sup 2}) or Λ( R ). Such models assume an equation of state for the vacuum given by P-bar {sub Λ} = - ρ-bar {sub Λ}, relating its background pressure P-bar {sub Λ} with its mean energy density ρ-bar {sub Λ} ≡ Λ/8π G . This equation of state suggests that the vacuum dynamics is due to an interaction with the matter content of the universe. Most of the approaches studying the observational impact of these models only consider the interaction between the vacuum and the transient dominant matter component of the universe. We extend such models by assuming that the running vacuum is the sum of independent contributions, namely ρ-bar {sub Λ} = Σ {sub i} ρ-bar {sub Λ} {sub i} . Each Λ i vacuum component is associated and interacting with one of the i matter components in both the background and perturbation levels. We derive the evolution equations for the linear scalar vacuum and matter perturbations in those two scenarios, and identify the running vacuum imprints on the cosmic microwave background anisotropies as well as on the matter power spectrum. In the Λ( H {sup 2}) scenario the vacuum is coupled with every matter component, whereas the Λ( R ) description only leads to a coupling between vacuum and non-relativistic matter, producing different effects on the matter power spectrum.
Linear Parametric Model Checking of Timed Automata
DEFF Research Database (Denmark)
Hune, Tohmas Seidelin; Romijn, Judi; Stoelinga, Mariëlle
2001-01-01
We present an extension of the model checker Uppaal capable of synthesize linear parameter constraints for the correctness of parametric timed automata. The symbolic representation of the (parametric) state-space is shown to be correct. A second contribution of this paper is the identication...... of a subclass of parametric timed automata (L/U automata), for which the emptiness problem is decidable, contrary to the full class where it is know to be undecidable. Also we present a number of lemmas enabling the verication eort to be reduced for L/U automata in some cases. We illustrate our approach...
Sorption of diclofenac and naproxen onto MWCNT in model wastewater treated by H2O2 and/or UV.
Czech, Bożena; Oleszczuk, Patryk
2016-04-01
The application of oxidation processes such as UV and/or H2O2 will change the physicochemical properties of carbon nanotubes (CNT). It may affect the sorption affinity of CNT to different contaminants and then affect their fate in the environment. In the present study the adsorption of two very common used pharmaceuticals (diclofenac and naproxen) onto CNT treated by UV, H2O2 or UV/H2O2 was investigated. Four different adsorption models (Freundlich, Langmuir, Temkin, Dubinin-Radushkevich) were tested. The best fitting of experimental data was observed for Freundlich or Langmuir model. The significant relationships between Q calculated from Langmuir model with O% and dispersity were observed. Kinetics of diclofenac and naproxen followed mainly pseudo-second order indicating for chemisorption limiting step of adsorption. The data showed that the mechanism of sorption was physical or chemical depending on the type of CNT modification. Copyright © 2015 Elsevier Ltd. All rights reserved.
Surface complexation modeling of U(VI) sorption on GMZ bentonite in the presence of fulvic acid
Energy Technology Data Exchange (ETDEWEB)
Zheng, Jie [Lanzhou Univ. (China). Radiochemistry Laboratory; Ministry of Industry and Information Technology, Guangzhou (China). The 5th Electronics Research Inst.; Luo, Daojun [Ministry of Industry and Information Technology, Guangzhou (China). The 5th Electronics Research Inst.; Qiao, Yahua; Wang, Liang; Zhang, Chunming [Ministry of Environmental Protection, Beijing (China). Nuclear and Radiation Safety Center; Wu, Wangsuo [Lanzhou Univ. (China). Radiochemistry Laboratory; Ye, Yuanlv [Ministry of Environmental Protection, Beijing (China). Nuclear and Radiation Safety Center; Lanzhou Univ. (China). Radiochemistry Laboratory
2017-03-01
In this work, experiments and modeling for the interactions between uranyl ion and GMZ bentonite in the presence of fulvic acid are presented. The results demonstrated that FA is strongly bound to GMZ bentonite, and these molecules have a very large effect on the U(VI) sorption. The results also demonstrated that U(VI) sorption to GMZ bentonite in the presence and absence of sorbed FA can be well predicted by combining SHM and DLM. According to the model calculations, the nature of the interactions between FA with U(VI) at GMZ bentonite surface is mainly surface complex. The first attempt to simulate clay interaction with humus by the SHM model.
International Nuclear Information System (INIS)
Olin, M.; Lehikoinen, J.
1997-12-01
The study is a follow-up to a previous modelling task on mechanistic sorption. The experimental work has been carried out at the Laboratory of Radiochemistry, University of Helsinki (HYRL), and the sorption modelling was performed using the HYDRAQL code. Parameters taken from the open literature were employed in the modelling phase. The thermodynamic data for aqueous solutions were extracted from the EQ3/6 database and subsequently modified for HYDRAQL where necessary. The experimental data were obtained from five different experiments, four of which concerned the adsorption of nickel. The first experimental system was a mixture of Nilsiae quartz and manganese dioxide. In the second experiment, quartz was equilibrated with a fresh and saline groundwater simulant instead of an electrolyte solution. The third and fourth experiments dealt with nickel adsorption from an electrolyte solution onto goethite and kaolinite surfaces respectively. In the fifth experiment, adsorption of thorium onto a quartz surface was investigated
Influence of soil pH on the sorption of ionizable chemicals: modeling advances.
Franco, Antonio; Fu, Wenjing; Trapp, Stefan
2009-03-01
The soil-water distribution coefficient of ionizable chemicals (K(d)) depends on the soil acidity, mainly because the pH governs speciation. Using pH-specific K(d) values normalized to organic carbon (K(OC)) from the literature, a method was developed to estimate the K(OC) of monovalent organic acids and bases. The regression considers pH-dependent speciation and species-specific partition coefficients, calculated from the dissociation constant (pK(a)) and the octanol-water partition coefficient of the neutral molecule (log P(n)). Probably because of the lower pH near the organic colloid-water interface, the optimal pH to model dissociation was lower than the bulk soil pH. The knowledge of the soil pH allows calculation of the fractions of neutral and ionic molecules in the system, thus improving the existing regression for acids. The same approach was not successful with bases, for which the impact of pH on the total sorption is contrasting. In fact, the shortcomings of the model assumptions affect the predictive power for acids and for bases differently. We evaluated accuracy and limitations of the regressions for their use in the environmental fate assessment of ionizable chemicals.
The effect of particle size on sorption of estrogens, androgens and progestagens in aquatic sediment
International Nuclear Information System (INIS)
Sangster, Jodi L.; Oke, Hugues; Zhang, Yun; Bartelt-Hunt, Shannon L.
2015-01-01
Highlights: • Two sediments were used to evaluate the effects of particle size on steroid sorption. • Sorption capacity did not increase with decreasing particle size for all steroids. • Particle interactions affect the distribution of steroids within the whole sediments. • Preferential sorption to fine particles was observed. - Abstract: There is growing concern about the biologic effects of steroid hormones in impacted waterways. There is increasing evidence of enhanced transport and biological effects stemming from steroid hormones associated with soils or sediments; however, there are limited studies evaluating how steroid hormone distribution between various particle sizes within whole sediments affects steroid fate. In this study, sorption of 17β-estradiol, estrone, progesterone, and testosterone was evaluated to different size fractions of two natural sediments, a silty loam and a sandy sediment, to determine the steroid sorption capacity to each fraction and distribution within the whole sediment. Sorption isotherms for all steroid hormones fit linear sorption models. Sorption capacity was influenced more by organic carbon content than particle size. Interactions between size fractions were found to affect the distribution of steroids within the whole sediments. All four steroids preferentially sorbed to the clay and colloids in the silty loam sediment at the lowest aqueous concentration (1 ng/L) and as aqueous concentration increased, the distribution of sorbed steroid was similar to the distribution by weight of each size fraction within the whole sediment. In the sandy sediment, preferential sorption to fine particles was observed.
The effect of particle size on sorption of estrogens, androgens and progestagens in aquatic sediment
Energy Technology Data Exchange (ETDEWEB)
Sangster, Jodi L.; Oke, Hugues; Zhang, Yun; Bartelt-Hunt, Shannon L., E-mail: sbartelt2@unl.edu
2015-12-15
Highlights: • Two sediments were used to evaluate the effects of particle size on steroid sorption. • Sorption capacity did not increase with decreasing particle size for all steroids. • Particle interactions affect the distribution of steroids within the whole sediments. • Preferential sorption to fine particles was observed. - Abstract: There is growing concern about the biologic effects of steroid hormones in impacted waterways. There is increasing evidence of enhanced transport and biological effects stemming from steroid hormones associated with soils or sediments; however, there are limited studies evaluating how steroid hormone distribution between various particle sizes within whole sediments affects steroid fate. In this study, sorption of 17β-estradiol, estrone, progesterone, and testosterone was evaluated to different size fractions of two natural sediments, a silty loam and a sandy sediment, to determine the steroid sorption capacity to each fraction and distribution within the whole sediment. Sorption isotherms for all steroid hormones fit linear sorption models. Sorption capacity was influenced more by organic carbon content than particle size. Interactions between size fractions were found to affect the distribution of steroids within the whole sediments. All four steroids preferentially sorbed to the clay and colloids in the silty loam sediment at the lowest aqueous concentration (1 ng/L) and as aqueous concentration increased, the distribution of sorbed steroid was similar to the distribution by weight of each size fraction within the whole sediment. In the sandy sediment, preferential sorption to fine particles was observed.
Aspects of general linear modelling of migration.
Congdon, P
1992-01-01
"This paper investigates the application of general linear modelling principles to analysing migration flows between areas. Particular attention is paid to specifying the form of the regression and error components, and the nature of departures from Poisson randomness. Extensions to take account of spatial and temporal correlation are discussed as well as constrained estimation. The issue of specification bears on the testing of migration theories, and assessing the role migration plays in job and housing markets: the direction and significance of the effects of economic variates on migration depends on the specification of the statistical model. The application is in the context of migration in London and South East England in the 1970s and 1980s." excerpt
Model Selection with the Linear Mixed Model for Longitudinal Data
Ryoo, Ji Hoon
2011-01-01
Model building or model selection with linear mixed models (LMMs) is complicated by the presence of both fixed effects and random effects. The fixed effects structure and random effects structure are codependent, so selection of one influences the other. Most presentations of LMM in psychology and education are based on a multilevel or…
Modelling and Predicting Backstroke Start Performance Using Non-Linear and Linear Models.
de Jesus, Karla; Ayala, Helon V H; de Jesus, Kelly; Coelho, Leandro Dos S; Medeiros, Alexandre I A; Abraldes, José A; Vaz, Mário A P; Fernandes, Ricardo J; Vilas-Boas, João Paulo
2018-03-01
Our aim was to compare non-linear and linear mathematical model responses for backstroke start performance prediction. Ten swimmers randomly completed eight 15 m backstroke starts with feet over the wedge, four with hands on the highest horizontal and four on the vertical handgrip. Swimmers were videotaped using a dual media camera set-up, with the starts being performed over an instrumented block with four force plates. Artificial neural networks were applied to predict 5 m start time using kinematic and kinetic variables and to determine the accuracy of the mean absolute percentage error. Artificial neural networks predicted start time more robustly than the linear model with respect to changing training to the validation dataset for the vertical handgrip (3.95 ± 1.67 vs. 5.92 ± 3.27%). Artificial neural networks obtained a smaller mean absolute percentage error than the linear model in the horizontal (0.43 ± 0.19 vs. 0.98 ± 0.19%) and vertical handgrip (0.45 ± 0.19 vs. 1.38 ± 0.30%) using all input data. The best artificial neural network validation revealed a smaller mean absolute error than the linear model for the horizontal (0.007 vs. 0.04 s) and vertical handgrip (0.01 vs. 0.03 s). Artificial neural networks should be used for backstroke 5 m start time prediction due to the quite small differences among the elite level performances.
Directory of Open Access Journals (Sweden)
Mônica E.T. PRADO
1999-01-01
Full Text Available As isotermas de sorção de tâmaras (Phoenix dactylifera L., da variedade Zahidi, foram determinadas para três temperaturas, 60, 70 e 80° C pelo método estático gravimétrico. As curvas experimentais foram ajustadas pelas equações de BET, BET linearizada, GAB, HALSEY, OSWIN e PELEG. O desvio relativo entre os valores experimentais e os valores estimados foi calculado para cada curva, a fim de se avaliar qual equação melhor se ajustou aos dados experimentais.Dates sorption isotherms were determined by gravimetric at three differents temperatures (60, 70 and 80° C. Experimental data was adjusted to six sorption models de BET, linear BET, GAB, HALSEY, OSWIN and PELEG. The average relative deviations between calculated and experimental data were calculated do select best fit model.
Radionuclide sorption database for Swiss safety assessment
International Nuclear Information System (INIS)
McKinley, I.G.; Hadermann, J.
1984-10-01
Recommended sorption data for use in transport models for a Swiss High-Level Waste repository are presented. The models used in 'Project Gewaehr 1985' assume linear sorption isotherms and require elemental partition coefficient (Kd) data. On the basis of a literature search 'realistic' Kd data for 22 elements have been selected for weathered crystalline rock and sediments in contact with a reducing groundwater and also sediments with a less reducing groundwater. In an appendix sorption data for 28 elements on bentonite backfill are given. These data are supplemented with 'conservative' estimates taken to represent minimum reasonable values. Available data are discussed for each element clearly exhibiting (i) the large gaps in knowledge, (ii) their unbalanced distribution between different elements and, hence, (iii) the need for further experiments in the laboratory, the field and analogue studies. An overview of the theoretical concepts of sorption, experimental methodology and data interpretation is given in order to put the values into context. General problem areas are identified. (Auth.)
Modeling patterns in data using linear and related models
International Nuclear Information System (INIS)
Engelhardt, M.E.
1996-06-01
This report considers the use of linear models for analyzing data related to reliability and safety issues of the type usually associated with nuclear power plants. The report discusses some of the general results of linear regression analysis, such as the model assumptions and properties of the estimators of the parameters. The results are motivated with examples of operational data. Results about the important case of a linear regression model with one covariate are covered in detail. This case includes analysis of time trends. The analysis is applied with two different sets of time trend data. Diagnostic procedures and tests for the adequacy of the model are discussed. Some related methods such as weighted regression and nonlinear models are also considered. A discussion of the general linear model is also included. Appendix A gives some basic SAS programs and outputs for some of the analyses discussed in the body of the report. Appendix B is a review of some of the matrix theoretic results which are useful in the development of linear models
International Nuclear Information System (INIS)
Vandergraaf, T.T.; Ticknor, K.V.; Melnyk, T.W.
1992-01-01
An extensively characterized intrusive granitic formation, the Lac du Bonnet batholith, is being used as a test case for environmental and safety assessment calculations of the impact of a hypothetical disposal vault. The conceptual vault has dimensions of 2 x 2 km and is located at a depth of 500 m, near the Whiteshell Nuclear Research Establishment (WNRE) (CANADA). Hydraulic investigations of the batholith have shown that the bulk of the groundwater flow will be limited to the existing network of water-bearing fractures. Groundwater flow and contaminant transport modelling is based on a porous-medium concept for both the fracture systems and the rock matrix. Geochemical investigations have identified a number of alteration minerals in these fracture systems. The geochemistry encountered along the flow field is too complex to allow the interaction of radionuclides with the geological material to be represented by a single sorption coefficient for each radionuclide on a single rock type. However, the level of understanding of radionuclide interaction with geological materials is not sufficiently well developed to calculate radionuclide transport using models based on chemical thermodynamics or on advanced sorption models based on surface complexation or mass action. Instead, a parametric model has been developed using the total dissolved solids and radionuclide concentrations as independent variables. The mineralogical complexity of the flow field is addressed by selecting sorption data on the nine most commonly occurring fracture infilling minerals in this batholith, four common rock-forming minerals, and on altered and unaltered granite. This approach produces two polynomial equations for each radionuclide/mineral combination, one under oxic and one under anoxic conditions. Where insufficient information is available, these polynomial expressions are reduced to an equation with one variable or to a single sorption coefficient. 48 refs., 6 figs., 4 tabs
Electron Model of Linear-Field FFAG
Koscielniak, Shane R
2005-01-01
A fixed-field alternating-gradient accelerator (FFAG) that employs only linear-field elements ushers in a new regime in accelerator design and dynamics. The linear-field machine has the ability to compact an unprecedented range in momenta within a small component aperture. With a tune variation which results from the natural chromaticity, the beam crosses many strong, uncorrec-table, betatron resonances during acceleration. Further, relativistic particles in this machine exhibit a quasi-parabolic time-of-flight that cannot be addressed with a fixed-frequency rf system. This leads to a new concept of bucketless acceleration within a rotation manifold. With a large energy jump per cell, there is possibly strong synchro-betatron coupling. A few-MeV electron model has been proposed to demonstrate the feasibility of these untested acceleration features and to investigate them at length under a wide range of operating conditions. This paper presents a lattice optimized for a 1.3 GHz rf, initial technology choices f...
Linear models in the mathematics of uncertainty
Mordeson, John N; Clark, Terry D; Pham, Alex; Redmond, Michael A
2013-01-01
The purpose of this book is to present new mathematical techniques for modeling global issues. These mathematical techniques are used to determine linear equations between a dependent variable and one or more independent variables in cases where standard techniques such as linear regression are not suitable. In this book, we examine cases where the number of data points is small (effects of nuclear warfare), where the experiment is not repeatable (the breakup of the former Soviet Union), and where the data is derived from expert opinion (how conservative is a political party). In all these cases the data is difficult to measure and an assumption of randomness and/or statistical validity is questionable. We apply our methods to real world issues in international relations such as nuclear deterrence, smart power, and cooperative threat reduction. We next apply our methods to issues in comparative politics such as successful democratization, quality of life, economic freedom, political stability, and fail...
Generalized Linear Models in Vehicle Insurance
Directory of Open Access Journals (Sweden)
Silvie Kafková
2014-01-01
Full Text Available Actuaries in insurance companies try to find the best model for an estimation of insurance premium. It depends on many risk factors, e.g. the car characteristics and the profile of the driver. In this paper, an analysis of the portfolio of vehicle insurance data using a generalized linear model (GLM is performed. The main advantage of the approach presented in this article is that the GLMs are not limited by inflexible preconditions. Our aim is to predict the relation of annual claim frequency on given risk factors. Based on a large real-world sample of data from 57 410 vehicles, the present study proposed a classification analysis approach that addresses the selection of predictor variables. The models with different predictor variables are compared by analysis of deviance and Akaike information criterion (AIC. Based on this comparison, the model for the best estimate of annual claim frequency is chosen. All statistical calculations are computed in R environment, which contains stats package with the function for the estimation of parameters of GLM and the function for analysis of deviation.
International Nuclear Information System (INIS)
Westrich, H.R.; Brady, P.V.; Cygan, R.T.; Nagy, K.L.; Anderson, H.L.
1997-01-01
A key issue in performance assessment of low-level radioactive waste sites is predicting the transport and retardation of radionuclides through local soils under a variety of hydrologic and geochemical conditions. Improved transport codes should include a mechanistic model of radionuclide retardation. The authors have been investigating metal sorption (Cs + , Sr 2+ , and Ba 2+ ) on a simple clay mineral (kaolinite) to better understand the geochemical interactions of common soil minerals with contaminated groundwaters. These studies include detailed characterizations of kaolinite surfaces, experimental adsorption measurements, surface complexation modeling, and theoretical simulations of cation sorption. The aluminol edge (010) site has been identified as the most likely site for metal sorption on kaolinite in natural solutions. Relative metal binding strengths decrease from Ba 2+ to Sr 2+ to Cs + , with some portion sorbed on both kaolinite edges and basal surfaces. Some Cs + also appears to be irreversibly sorbed on both sites. Molecular dynamics simulations suggest that Cs + is sorbed at aluminol (010) edge sites as an inner-sphere complex and weakly sorbed as an outer-sphere complex on (001) basal surfaces. These results provide the basis to understand and predict metal sorption onto kaolinite, and a framework to characterize sorption processes on more complex clay minerals
Nonlinear price impact from linear models
Patzelt, Felix; Bouchaud, Jean-Philippe
2017-12-01
The impact of trades on asset prices is a crucial aspect of market dynamics for academics, regulators, and practitioners alike. Recently, universal and highly nonlinear master curves were observed for price impacts aggregated on all intra-day scales (Patzelt and Bouchaud 2017 arXiv:1706.04163). Here we investigate how well these curves, their scaling, and the underlying return dynamics are captured by linear ‘propagator’ models. We find that the classification of trades as price-changing versus non-price-changing can explain the price impact nonlinearities and short-term return dynamics to a very high degree. The explanatory power provided by the change indicator in addition to the order sign history increases with increasing tick size. To obtain these results, several long-standing technical issues for model calibration and testing are addressed. We present new spectral estimators for two- and three-point cross-correlations, removing the need for previously used approximations. We also show when calibration is unbiased and how to accurately reveal previously overlooked biases. Therefore, our results contribute significantly to understanding both recent empirical results and the properties of a popular class of impact models.
Kane, Michael T.; Mroch, Andrew A.; Suh, Youngsuk; Ripkey, Douglas R.
2009-01-01
This paper analyzes five linear equating models for the "nonequivalent groups with anchor test" (NEAT) design with internal anchors (i.e., the anchor test is part of the full test). The analysis employs a two-dimensional framework. The first dimension contrasts two general approaches to developing the equating relationship. Under a "parameter…
Simha, H V Vikram; Pushpadass, Heartwin A; Franklin, Magdaline Eljeeva Emerald; Kumar, P Arun; Manimala, K
2016-06-01
Moisture sorption isotherms of spray-dried milk-foxtail millet powder were determined at 10, 25 and 40 °C. Sorption data was fitted using classical and soft-computing approaches. The isotherms were of type II, and equilibrium moisture content (EMC) was temperature dependent. The BET monolayer moisture content decreased from 3.30 to 2.67 % as temperature increased from 10 to 40 °C. Amongst the classical models, Ferro-Fontan gave the best fit of EMC-aw data. However, the Sugeno-type adaptive neuro-fuzzy inference system (ANFIS) with generalized bell-shaped membership function performed better than artificial neural network and classical models with RMSE as low as 0.0099. The isosteric heat of sorption decreased from 150.32 kJ mol(-1) at 1 % moisture content to 44.11 kJ mol(-1) at 15 % moisture. The enthalpy-entropy compensation theory was validated, and the isokinetic and harmonic mean temperatures were determined as 333.1 and 297.5 K, respectively.
Piecewise Linear-Linear Latent Growth Mixture Models with Unknown Knots
Kohli, Nidhi; Harring, Jeffrey R.; Hancock, Gregory R.
2013-01-01
Latent growth curve models with piecewise functions are flexible and useful analytic models for investigating individual behaviors that exhibit distinct phases of development in observed variables. As an extension of this framework, this study considers a piecewise linear-linear latent growth mixture model (LGMM) for describing segmented change of…
From linear to generalized linear mixed models: A case study in repeated measures
Compared to traditional linear mixed models, generalized linear mixed models (GLMMs) can offer better correspondence between response variables and explanatory models, yielding more efficient estimates and tests in the analysis of data from designed experiments. Using proportion data from a designed...
Montoye, Alexander H K; Begum, Munni; Henning, Zachary; Pfeiffer, Karin A
2017-02-01
This study had three purposes, all related to evaluating energy expenditure (EE) prediction accuracy from body-worn accelerometers: (1) compare linear regression to linear mixed models, (2) compare linear models to artificial neural network models, and (3) compare accuracy of accelerometers placed on the hip, thigh, and wrists. Forty individuals performed 13 activities in a 90 min semi-structured, laboratory-based protocol. Participants wore accelerometers on the right hip, right thigh, and both wrists and a portable metabolic analyzer (EE criterion). Four EE prediction models were developed for each accelerometer: linear regression, linear mixed, and two ANN models. EE prediction accuracy was assessed using correlations, root mean square error (RMSE), and bias and was compared across models and accelerometers using repeated-measures analysis of variance. For all accelerometer placements, there were no significant differences for correlations or RMSE between linear regression and linear mixed models (correlations: r = 0.71-0.88, RMSE: 1.11-1.61 METs; p > 0.05). For the thigh-worn accelerometer, there were no differences in correlations or RMSE between linear and ANN models (ANN-correlations: r = 0.89, RMSE: 1.07-1.08 METs. Linear models-correlations: r = 0.88, RMSE: 1.10-1.11 METs; p > 0.05). Conversely, one ANN had higher correlations and lower RMSE than both linear models for the hip (ANN-correlation: r = 0.88, RMSE: 1.12 METs. Linear models-correlations: r = 0.86, RMSE: 1.18-1.19 METs; p linear models for the wrist-worn accelerometers (ANN-correlations: r = 0.82-0.84, RMSE: 1.26-1.32 METs. Linear models-correlations: r = 0.71-0.73, RMSE: 1.55-1.61 METs; p models offer a significant improvement in EE prediction accuracy over linear models. Conversely, linear models showed similar EE prediction accuracy to machine learning models for hip- and thigh
Directory of Open Access Journals (Sweden)
Suherman Suherman
2012-02-01
Full Text Available The sorption of water on granular polyamide-6 (PA6, granular polypropylene (PP, and powdery high density polyethylene (HDPE and powdery polyvinyl chloride (PVC were measured using a gravimetric method in a magnetic suspension balance (MSB. The Flory-Huggins model was successfully applied on the sorption equilibrium curve of all investigated polymers. The influence of temperature is low. The value of Flory-Huggins parameters(c of PA6, PVC, PP and HDPE were 1.8, 5.8, 6.3, and 8.1, respectively. The water in PA6 is mainly bound moisture, while in PP, HDPE and PVC it is mainly surface moisture.
Evaluating the double Poisson generalized linear model.
Zou, Yaotian; Geedipally, Srinivas Reddy; Lord, Dominique
2013-10-01
The objectives of this study are to: (1) examine the applicability of the double Poisson (DP) generalized linear model (GLM) for analyzing motor vehicle crash data characterized by over- and under-dispersion and (2) compare the performance of the DP GLM with the Conway-Maxwell-Poisson (COM-Poisson) GLM in terms of goodness-of-fit and theoretical soundness. The DP distribution has seldom been investigated and applied since its first introduction two decades ago. The hurdle for applying the DP is related to its normalizing constant (or multiplicative constant) which is not available in closed form. This study proposed a new method to approximate the normalizing constant of the DP with high accuracy and reliability. The DP GLM and COM-Poisson GLM were developed using two observed over-dispersed datasets and one observed under-dispersed dataset. The modeling results indicate that the DP GLM with its normalizing constant approximated by the new method can handle crash data characterized by over- and under-dispersion. Its performance is comparable to the COM-Poisson GLM in terms of goodness-of-fit (GOF), although COM-Poisson GLM provides a slightly better fit. For the over-dispersed data, the DP GLM performs similar to the NB GLM. Considering the fact that the DP GLM can be easily estimated with inexpensive computation and that it is simpler to interpret coefficients, it offers a flexible and efficient alternative for researchers to model count data. Copyright © 2013 Elsevier Ltd. All rights reserved.
Petri Nets as Models of Linear Logic
DEFF Research Database (Denmark)
Engberg, Uffe Henrik; Winskel, Glynn
1990-01-01
The chief purpose of this paper is to appraise the feasibility of Girad's linear logic as a specification language for parallel processes. To this end we propose an interpretation of linear logic in Petri nets, with respect to which we investigate the expressive power of the logic...
Modeling bioaccumulation in humans using poly-parameter linear free energy relationships (PPLFERS)
Energy Technology Data Exchange (ETDEWEB)
Undeman, Emma, E-mail: emma.undeman@itm.su.se; Czub, Gertje; McLachlan, Michael S.
2011-04-01
Chemical partition coefficients between environmental media and biological tissues are a key component of bioaccumulation models. The single-parameter linear free energy relationships (spLFERs) commonly used for predicting partitioning are often derived using apolar chemicals and may not accurately capture polar chemicals. In this study, a poly-parameter LFER (ppLFER) based model of organic chemical bioaccumulation in humans is presented. Chemical partitioning was described by an air-body partition coefficient that was a volume weighted average of ppLFER based partition coefficients for the major organs and tissues constituting the human body. This model was compared to a spLFER model treating the body as a mixture of lipid ({approx} octanol) and water. Although model agreement was good for hydrophobic chemicals (average difference 15% for log K{sub OW} > 4 and log K{sub OA} > 8), the ppLFER model predicted {approx} 90% lower body burdens for hydrophilic chemicals (log K{sub OW} < 0). This was mainly due to lower predictions of muscle and adipose tissue sorption capacity for these chemicals. A comparison of the predicted muscle and adipose tissue sorption capacities of hydrophilic chemicals with measurements indicated that the ppLFER and spLFER models' uncertainties were similar. Consequently, little benefit from the implementation of ppLFERs in this model was identified. - Research Highlights: {yields}Implementation of ppLFERs resulted in on average 90% lower predicted body burdens. {yields}Uncertainties in spLFER and ppLFER predictions were similar. {yields}The benefit from implementation of ppLFERs in bioaccumulation models was limited.
Linear approximation model network and its formation via ...
Indian Academy of Sciences (India)
To overcome the deficiency of `local model network' (LMN) techniques, an alternative `linear approximation model' (LAM) network approach is proposed. Such a network models a nonlinear or practical system with multiple linear models fitted along operating trajectories, where individual models are simply networked ...
Linear regression crash prediction models : issues and proposed solutions.
2010-05-01
The paper develops a linear regression model approach that can be applied to : crash data to predict vehicle crashes. The proposed approach involves novice data aggregation : to satisfy linear regression assumptions; namely error structure normality ...
Game Theory and its Relationship with Linear Programming Models ...
African Journals Online (AJOL)
Game Theory and its Relationship with Linear Programming Models. ... This paper shows that game theory and linear programming problem are closely related subjects since any computing method devised for ... AJOL African Journals Online.
Sorption behaviour of perfluoroalkyl substances in soils.
Milinovic, Jelena; Lacorte, Silvia; Vidal, Miquel; Rigol, Anna
2015-04-01
The sorption behaviour of three perfluoroalkyl substances (PFASs), perfluorooctane sulfonic acid (PFOS), perfluorooctanoic acid (PFOA) and perfluorobutane sulfonic acid (PFBS), was studied in six soils with contrasting characteristics, especially in the organic carbon content. Sorption isotherms were obtained by equilibrating the soil samples with 0.01 mol L(-1) CaCl2 solutions spiked with increasing concentrations of the target PFAS. The sorption reversibility of PFASs was also tested for some of the samples. Liquid chromatography coupled to tandem mass spectrometry was used to quantify the target PFASs in the solutions. Both the Freundlich and linear models were appropriate to describe the sorption behaviour of PFASs in soils, and enabled us to derive solid-liquid distribution coefficients (Kd) for each compound in each soil. Kd values increased from 19 to 295 mL g(-1) for PFOS, from 2.2 to 38 mL g(-1) for PFOA and from 0.4 to 6.8 mL g(-1) for PFBS, and were positively correlated with the organic carbon content of the soil. KOC values obtained from the correlations were 710, 96 and 17 mL g(-1) for PFOS, PFOA and PFBS, respectively. Whereas Kd values decreased in the sequence PFOS>PFOA>PFBS, desorption yields were lower than 13% for PFOS, from 24 to 58% for PFOA, and from 32 to 60% for PFBS. This shows that the physicochemical characteristics of PFASs, basically their hydrophobicity, controlled their sorption behaviour in soils, with PFOS being the most irreversibly sorbed PFAS. Copyright © 2014 Elsevier B.V. All rights reserved.
A Note on the Identifiability of Generalized Linear Mixed Models
DEFF Research Database (Denmark)
Labouriau, Rodrigo
2014-01-01
I present here a simple proof that, under general regularity conditions, the standard parametrization of generalized linear mixed model is identifiable. The proof is based on the assumptions of generalized linear mixed models on the first and second order moments and some general mild regularity...... conditions, and, therefore, is extensible to quasi-likelihood based generalized linear models. In particular, binomial and Poisson mixed models with dispersion parameter are identifiable when equipped with the standard parametrization...
Linear control theory for gene network modeling.
Shin, Yong-Jun; Bleris, Leonidas
2010-09-16
Systems biology is an interdisciplinary field that aims at understanding complex interactions in cells. Here we demonstrate that linear control theory can provide valuable insight and practical tools for the characterization of complex biological networks. We provide the foundation for such analyses through the study of several case studies including cascade and parallel forms, feedback and feedforward loops. We reproduce experimental results and provide rational analysis of the observed behavior. We demonstrate that methods such as the transfer function (frequency domain) and linear state-space (time domain) can be used to predict reliably the properties and transient behavior of complex network topologies and point to specific design strategies for synthetic networks.
LINEAR MODEL FOR NON ISOSCELES ABSORBERS.
Energy Technology Data Exchange (ETDEWEB)
BERG,J.S.
2003-05-12
Previous analyses have assumed that wedge absorbers are triangularly shaped with equal angles for the two faces. In this case, to linear order, the energy loss depends only on the position in the direction of the face tilt, and is independent of the incoming angle. One can instead construct an absorber with entrance and exit faces facing rather general directions. In this case, the energy loss can depend on both the position and the angle of the particle in question. This paper demonstrates that and computes the effect to linear order.
Equivalent linear damping characterization in linear and nonlinear force-stiffness muscle models.
Ovesy, Marzieh; Nazari, Mohammad Ali; Mahdavian, Mohammad
2016-02-01
In the current research, the muscle equivalent linear damping coefficient which is introduced as the force-velocity relation in a muscle model and the corresponding time constant are investigated. In order to reach this goal, a 1D skeletal muscle model was used. Two characterizations of this model using a linear force-stiffness relationship (Hill-type model) and a nonlinear one have been implemented. The OpenSim platform was used for verification of the model. The isometric activation has been used for the simulation. The equivalent linear damping and the time constant of each model were extracted by using the results obtained from the simulation. The results provide a better insight into the characteristics of each model. It is found that the nonlinear models had a response rate closer to the reality compared to the Hill-type models.
Montoya, V.; Baeyens, B.; Glaus, M. A.; Kupcik, T.; Marques Fernandes, M.; Van Laer, L.; Bruggeman, C.; Maes, N.; Schäfer, T.
2018-02-01
Experimental investigations on the uptake of divalent cations (Sr, Co and Zn) onto illite (Illite du Puy, Le-Puy-en-Velay, France) were carried out by three different international research groups (Institute for Nuclear Waste Disposal, KIT (Germany), Group Waste & Disposal, SCK-CEN, (Belgium) and Laboratory for Waste Management, PSI (Switzerland)) in the framework of the European FP7 CatClay project. The dependence of solid-liquid distribution ratios (Rd values) on pH at trace metal conditions (sorption edges) and on the metal ion concentration (sorption isotherms) was determined in dilute suspensions of homo-ionic Na-illite (Na-IdP) under controlled N2 atmosphere. The experimental results were modelled using the 2 Site Protolysis Non Electrostatic Surface Complexation and Cation Exchange (2SPNE SC/CE) sorption model. The sorption of Sr depends strongly on ionic strength, while a rather weak pH dependence is observed in a pH range between 3 and 11. The data were modelled with cation exchange reactions, taking into account competition with H, K, Ca, Mg and Al, and surface complexation on weak amphotheric edge sites at higher pH values. The sorption of Co on Na-IdP, however, is strongly pH dependent. Cation exchange on the planar sites and surface complexation on strong and weak amphoteric edge sites were used to describe the Co sorption data. Rd values for Co derived from in-diffusion measurements on compacted Na-IdP samples (bulk-dry density of 1700 kg m-3) between pH 5.0 and 9.0 are in good agreement with the batch sorption data. The equivalence of both approaches to measure sorption was thus confirmed for the present test system. In addition, the results highlight the importance of both major and minor surface species for the diffusive transport behaviour of strongly sorbing metal cations. While surface complexes at the edge sites determine largely the Rd value, the diffusive flux may be governed by those species bound to the planar sites, even at low fractional
An online re-linearization scheme suited for Model Predictive and Linear Quadratic Control
DEFF Research Database (Denmark)
Henriksen, Lars Christian; Poulsen, Niels Kjølstad
This technical note documents the equations for primal-dual interior-point quadratic programming problem solver used for MPC. The algorithm exploits the special structure of the MPC problem and is able to reduce the computational burden such that the computational burden scales with prediction...... horizon length in a linear way rather than cubic, which would be the case if the structure was not exploited. It is also shown how models used for design of model-based controllers, e.g. linear quadratic and model predictive, can be linearized both at equilibrium and non-equilibrium points, making...
Tried and True: Springing into Linear Models
Darling, Gerald
2012-01-01
In eighth grade, students usually learn about forces in science class and linear relationships in math class, crucial topics that form the foundation for further study in science and engineering. An activity that links these two fundamental concepts involves measuring the distance a spring stretches as a function of how much weight is suspended…
Energy Technology Data Exchange (ETDEWEB)
Gidaspow, D.; Therdthianwong, A. [Illinois Inst. of Tech., Chicago, IL (United States). Dept. of Chemical Engineering
1993-02-01
The overall objective of this investigation is to develop experimentally verified models for circulating fluidized bed (CFB) combustors. Sorption of S0{sub 2} with calcined limestone was studied in a PYROFLOW type CFB loop at conditions approximating those found in a CFB combustor. Initially the CFB loop contained 150 micron CaO particles of a density of 3.3 g/cm{sup 3} and air at 1143{degrees}K and 3.25 atm. Atzero time, air containing 600 ppm SO{sub 2}, was introduced into the riser bottom at 1143{degrees}K. The effect of gas velocity, sorbent inventory and inlet pressure on the sorption of SO{sub 2}, were studied isothermally by running our hydrodynamic code with the S0{sub 2} sorption conservation of species equation. At a velocity of 5m/sec., reported to be a typical velocity by PYROPOWER, there is reasonably good S0{sub 2} removal. At 10 m/sec the S0{sub 2} removal is poor. The best SO{sub 2}, removal is for a velocity of 5 m/s and a high bed inventory, initial bed height, H = 9m. Most of the S0{sub 2} is removed in the first two meters of the reactor. However, the S0{sub 2} removal is not complete at the bed outlet. This is due to mixing. At the left wall of the reactor (wall opposite the solids inlet) the S0{sub 2} removal was poor due to gas bypassing caused by the asymmetrical solids inlet. Simulation of the PYROPOWER loop with a symmetrical inlet gave us an order of magnitude improvement over the conventional PYROPOWER system. These results demonstrate the practical utility of the predictive model that we have developed over the last three years.
Model Predictive Control for Linear Complementarity and Extended Linear Complementarity Systems
Directory of Open Access Journals (Sweden)
Bambang Riyanto
2005-11-01
Full Text Available In this paper, we propose model predictive control method for linear complementarity and extended linear complementarity systems by formulating optimization along prediction horizon as mixed integer quadratic program. Such systems contain interaction between continuous dynamics and discrete event systems, and therefore, can be categorized as hybrid systems. As linear complementarity and extended linear complementarity systems finds applications in different research areas, such as impact mechanical systems, traffic control and process control, this work will contribute to the development of control design method for those areas as well, as shown by three given examples.
Ordinal Log-Linear Models for Contingency Tables
Directory of Open Access Journals (Sweden)
Brzezińska Justyna
2016-12-01
Full Text Available A log-linear analysis is a method providing a comprehensive scheme to describe the association for categorical variables in a contingency table. The log-linear model specifies how the expected counts depend on the levels of the categorical variables for these cells and provide detailed information on the associations. The aim of this paper is to present theoretical, as well as empirical, aspects of ordinal log-linear models used for contingency tables with ordinal variables. We introduce log-linear models for ordinal variables: linear-by-linear association, row effect model, column effect model and RC Goodman’s model. Algorithm, advantages and disadvantages will be discussed in the paper. An empirical analysis will be conducted with the use of R.
Directory of Open Access Journals (Sweden)
Jianxin Fan
2017-11-01
Full Text Available Sorption is a crucial process that influences immobilization and migration of heavy metals in an aqueous environment. Sediments represent one of the ultimate sinks for heavy metals discharged into water body. Moreover, the particle size of sediments plays an extremely important role in the immobilization of heavy metals. In this study, the sorption and desorption of cadmium (Cd and copper (Cu onto sediments with different particle sizes were investigated to predict the rate and capacity of sorption, to understand their environmental behaviors in an aqueous environment. Batch sorption and kinetic experiments were conducted to obtain the retained amount and rate of Cd and Cu in a binary system. Experimental data were simulated using sorption models to ascertain the sorption capacity and the kinetic rate. Results of European Communities Bureau of Reference (BCR sequential extraction showed the highest concentration of Cd (0.344 mg kg−1, and its distribution varied with sediment particle size and site. Furthermore, most of Cu (approximately 57% to 84% existed as a residual fraction. The sorption of Cu onto six sediments followed a pseudo-first order reaction, whereas that of Cd followed a pseudo-second order reaction. Additionally, the competitive Langmuir model fitted the batch sorption experimental data extremely well. The highest sorption capacities of Cd and Cu reach 0.641 mmol kg−1 and 62.3 mmol kg−1, respectively, on the smallest submerged sediment particles. The amounts of Cu and Cd desorbed (mmol kg−1 increased linearly with the initial concentration increasing. Thus, sediment texture is an important factor that influences the sorption of heavy metal onto sediments.
Recent Updates to the GEOS-5 Linear Model
Holdaway, Dan; Kim, Jong G.; Errico, Ron; Gelaro, Ronald; Mahajan, Rahul
2014-01-01
Global Modeling and Assimilation Office (GMAO) is close to having a working 4DVAR system and has developed a linearized version of GEOS-5.This talk outlines a series of improvements made to the linearized dynamics, physics and trajectory.Of particular interest is the development of linearized cloud microphysics, which provides the framework for 'all-sky' data assimilation.
A study of sorption mechanism onto cement hydrates by isotherm measurements
International Nuclear Information System (INIS)
Sugiyama, Daisuke; Fujita, Tomonari
2003-01-01
In the concept for TRU waste disposal in Japan, cement is a potential waste packaging and backfilling material and is expected to provide chemical containment. In particular, the sorption of radionuclides onto cement material, which controls the aqueous concentrations of elements in the porewater, is a very important parameter when considering the release of radionuclides from the near field of a repository. Many safety assessment calculations currently assume radionuclide retardation as linear sorption equilibrium and describe it with a distribution ratio (R d value). In this study, the sorption mechanism is discussed by measuring the sorption isotherm of caesium, strontium and thorium onto Ordinary Portland Cement (OPC) and Calcium Silicate Hydrate (C-S-H gel), to justify and support this assumption. In addition, the effect of competitive sorption between thorium and uranium and other groundwater ions is studied by examining sorption using a range of sodium chloride concentrations to simulate different groundwater ionic strengths. Based on the experimental results, we have showed that: Caesium and strontium sorb by substitution for Ca in C-S-H phases and the presence of some calcium sites with different ion-exchange log K values is suggested; Thorium would be fixed in a surface co-precipitation to form a solubility-limiting phase. The results of sorption experiments are reasonably well modelled by the ion-exchange model for caesium and strontium and the surface co-precipitation model for thorium, respectively. (author)
Double generalized linear compound poisson models to insurance claims data
DEFF Research Database (Denmark)
Andersen, Daniel Arnfeldt; Bonat, Wagner Hugo
2017-01-01
This paper describes the specification, estimation and comparison of double generalized linear compound Poisson models based on the likelihood paradigm. The models are motivated by insurance applications, where the distribution of the response variable is composed by a degenerate distribution...... implementation and illustrate the application of double generalized linear compound Poisson models using a data set about car insurances....
Determining Predictor Importance in Hierarchical Linear Models Using Dominance Analysis
Luo, Wen; Azen, Razia
2013-01-01
Dominance analysis (DA) is a method used to evaluate the relative importance of predictors that was originally proposed for linear regression models. This article proposes an extension of DA that allows researchers to determine the relative importance of predictors in hierarchical linear models (HLM). Commonly used measures of model adequacy in…
Thurstonian models for sensory discrimination tests as generalized linear models
DEFF Research Database (Denmark)
Brockhoff, Per B.; Christensen, Rune Haubo Bojesen
2010-01-01
as a so-called generalized linear model. The underlying sensory difference 6 becomes directly a parameter of the statistical model and the estimate d' and it's standard error becomes the "usual" output of the statistical analysis. The d' for the monadic A-NOT A method is shown to appear as a standard......Sensory discrimination tests such as the triangle, duo-trio, 2-AFC and 3-AFC tests produce binary data and the Thurstonian decision rule links the underlying sensory difference 6 to the observed number of correct responses. In this paper it is shown how each of these four situations can be viewed...
Linear control theory for gene network modeling.
Directory of Open Access Journals (Sweden)
Yong-Jun Shin
Full Text Available Systems biology is an interdisciplinary field that aims at understanding complex interactions in cells. Here we demonstrate that linear control theory can provide valuable insight and practical tools for the characterization of complex biological networks. We provide the foundation for such analyses through the study of several case studies including cascade and parallel forms, feedback and feedforward loops. We reproduce experimental results and provide rational analysis of the observed behavior. We demonstrate that methods such as the transfer function (frequency domain and linear state-space (time domain can be used to predict reliably the properties and transient behavior of complex network topologies and point to specific design strategies for synthetic networks.
Forecasting Volatility of Dhaka Stock Exchange: Linear Vs Non-linear models
Directory of Open Access Journals (Sweden)
Masudul Islam
2012-10-01
Full Text Available Prior information about a financial market is very essential for investor to invest money on parches share from the stock market which can strengthen the economy. The study examines the relative ability of various models to forecast daily stock indexes future volatility. The forecasting models that employed from simple to relatively complex ARCH-class models. It is found that among linear models of stock indexes volatility, the moving average model ranks first using root mean square error, mean absolute percent error, Theil-U and Linex loss function criteria. We also examine five nonlinear models. These models are ARCH, GARCH, EGARCH, TGARCH and restricted GARCH models. We find that nonlinear models failed to dominate linear models utilizing different error measurement criteria and moving average model appears to be the best. Then we forecast the next two months future stock index price volatility by the best (moving average model.
International Nuclear Information System (INIS)
Peltenburg, Hester; Groothuis, Floris A.; Droge, Steven T.J.; Bosman, Ingrid J.; Hermens, Joop L.M.
2013-01-01
Graphical abstract: -- Highlights: •C18/propylsulfonic acid “mixed-mode” SPME fiber is efficient in sampling amphetamine. •Both protonated and neutral species of amphetamine sorb to the mixed-mode fiber. •Sorption of organic cations to this mixed-mode fiber depends on pH and salinity. •Amphetamine has a 20× higher affinity to the mixed-mode coating than to polyacrylate. -- Abstract: We studied the sorption of amphetamine as a model drug to represent small, polar organic cations to a new SPME coating combining C18 and propylsulfonic acid. This combination of hydrophobic and strong cation exchange (SCX) groups was compared to conventional SPME fibers with polyacrylate (PA) or C18 coating. The affinity of amphetamine at physiological pH (PBS) was 20 to 180 times greater for the new C18/SCX coating than for C18 alone and PA of different coating thickness. As amphetamine is a base and >99% protonated at physiological pH, this enhanced affinity is attributed to the ion-exchange phase in the coating. Tests at pH above the pK a of amphetamine show that, when normalized to the coating volume, neutral amphetamine also has a higher affinity compared to PA. As ion-exchange groups are not unlimitedly present in the coating, amphetamine isotherms level off to a saturation concentration on the C18/SCX fiber at the highest tested aqueous concentrations. Also, other cations (Na + , K + , Ca 2+ ) compete for the SCX sites and decrease the sorption coefficients, e.g. by 1.7 log units when comparing Milli-Q water with PBS. The C18/SCX fiber provides improved sensitivity over some of the classic SPME fibers. However, care should be taken near the cation exchange capacity of the fiber and the fiber should be calibrated in an appropriate matrix so as to eliminate competition effects
DEFF Research Database (Denmark)
Andersen, Per Kragh; Klein, John P.; Rosthøj, Susanne
2003-01-01
Generalised estimating equation; Generalised linear model; Jackknife pseudo-value; Logistic regression; Markov Model; Multi-state model......Generalised estimating equation; Generalised linear model; Jackknife pseudo-value; Logistic regression; Markov Model; Multi-state model...
Linear and non-linear autoregressive models for short-term wind speed forecasting
International Nuclear Information System (INIS)
Lydia, M.; Suresh Kumar, S.; Immanuel Selvakumar, A.; Edwin Prem Kumar, G.
2016-01-01
Highlights: • Models for wind speed prediction at 10-min intervals up to 1 h built on time-series wind speed data. • Four different multivariate models for wind speed built based on exogenous variables. • Non-linear models built using three data mining algorithms outperform the linear models. • Autoregressive models based on wind direction perform better than other models. - Abstract: Wind speed forecasting aids in estimating the energy produced from wind farms. The soaring energy demands of the world and minimal availability of conventional energy sources have significantly increased the role of non-conventional sources of energy like solar, wind, etc. Development of models for wind speed forecasting with higher reliability and greater accuracy is the need of the hour. In this paper, models for predicting wind speed at 10-min intervals up to 1 h have been built based on linear and non-linear autoregressive moving average models with and without external variables. The autoregressive moving average models based on wind direction and annual trends have been built using data obtained from Sotavento Galicia Plc. and autoregressive moving average models based on wind direction, wind shear and temperature have been built on data obtained from Centre for Wind Energy Technology, Chennai, India. While the parameters of the linear models are obtained using the Gauss–Newton algorithm, the non-linear autoregressive models are developed using three different data mining algorithms. The accuracy of the models has been measured using three performance metrics namely, the Mean Absolute Error, Root Mean Squared Error and Mean Absolute Percentage Error.
Applicability of linear and non-linear potential flow models on a Wavestar float
DEFF Research Database (Denmark)
Bozonnet, Pauline; Dupin, Victor; Tona, Paolino
2017-01-01
as a model based on non-linear potential flow theory and weakscatterer hypothesis are successively considered. Simple tests, such as dip tests, decay tests and captive tests enable to highlight the improvements obtained with the introduction of nonlinearities. Float motion under wave actions and without...... control action, limited to small amplitude motion with a single float, is well predicted by the numerical models, including the linear one. Still, float velocity is better predicted by accounting for non-linear hydrostatic and Froude-Krylov forces.......Numerical models based on potential flow theory, including different types of nonlinearities are compared and validated against experimental data for the Wavestar wave energy converter technology. Exact resolution of the rotational motion, non-linear hydrostatic and Froude-Krylov forces as well...
A linear model of population dynamics
Lushnikov, A. A.; Kagan, A. I.
2016-08-01
The Malthus process of population growth is reformulated in terms of the probability w(n,t) to find exactly n individuals at time t assuming that both the birth and the death rates are linear functions of the population size. The master equation for w(n,t) is solved exactly. It is shown that w(n,t) strongly deviates from the Poisson distribution and is expressed in terms either of Laguerre’s polynomials or a modified Bessel function. The latter expression allows for considerable simplifications of the asymptotic analysis of w(n,t).
Volatile Organic Molecules Sorption onto Carbon Nanotubes: Experiment and Molecular Modeling
Czech Academy of Sciences Publication Activity Database
Simha Martynková, G.; Plachá, D.; Plevová, Eva
2016-01-01
Roč. 12, č. 1 (2016), s. 142-146 ISSN 2211-8128 R&D Projects: GA MŠk ED1.1.00/02.0070 Institutional support: RVO:68145535 Keywords : carbon nanotubes * sorption * naphthalene * formaldehyde Subject RIV: CB - Analytical Chemistry, Separation http://ac.els-cdn.com/S2211812816000341/1-s2.0-S2211812816000341-main.pdf?_tid=a9631cda-969b-11e6-9761-00000aab0f01&acdnat=1476950778_b6de7ebc7654df3afb52d7e7fb4c0986
A test for the parameters of multiple linear regression models ...
African Journals Online (AJOL)
A test for the parameters of multiple linear regression models is developed for conducting tests simultaneously on all the parameters of multiple linear regression models. The test is robust relative to the assumptions of homogeneity of variances and absence of serial correlation of the classical F-test. Under certain null and ...
Modeling Non-Linear Material Properties in Composite Materials
2016-06-28
Technical Report ARWSB-TR-16013 MODELING NON-LINEAR MATERIAL PROPERTIES IN COMPOSITE MATERIALS Michael F. Macri Andrew G...REPORT TYPE Technical 3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE MODELING NON-LINEAR MATERIAL PROPERTIES IN COMPOSITE MATERIALS ...systems are increasingly incorporating composite materials into their design. Many of these systems subject the composites to environmental conditions
Reliability modelling and simulation of switched linear system ...
African Journals Online (AJOL)
Reliability modelling and simulation of switched linear system control using temporal databases. ... design of fault-tolerant real-time switching systems control and modelling embedded micro-schedulers for complex systems maintenance.
Multivariate statistical modelling based on generalized linear models
Fahrmeir, Ludwig
1994-01-01
This book is concerned with the use of generalized linear models for univariate and multivariate regression analysis. Its emphasis is to provide a detailed introductory survey of the subject based on the analysis of real data drawn from a variety of subjects including the biological sciences, economics, and the social sciences. Where possible, technical details and proofs are deferred to an appendix in order to provide an accessible account for non-experts. Topics covered include: models for multi-categorical responses, model checking, time series and longitudinal data, random effects models, and state-space models. Throughout, the authors have taken great pains to discuss the underlying theoretical ideas in ways that relate well to the data at hand. As a result, numerous researchers whose work relies on the use of these models will find this an invaluable account to have on their desks. "The basic aim of the authors is to bring together and review a large part of recent advances in statistical modelling of m...
Approximating chiral quark models with linear σ-models
International Nuclear Information System (INIS)
Broniowski, Wojciech; Golli, Bojan
2003-01-01
We study the approximation of chiral quark models with simpler models, obtained via gradient expansion. The resulting Lagrangian of the type of the linear σ-model contains, at the lowest level of the gradient-expanded meson action, an additional term of the form ((1)/(2))A(σ∂ μ σ+π∂ μ π) 2 . We investigate the dynamical consequences of this term and its relevance to the phenomenology of the soliton models of the nucleon. It is found that the inclusion of the new term allows for a more efficient approximation of the underlying quark theory, especially in those cases where dynamics allows for a large deviation of the chiral fields from the chiral circle, such as in quark models with non-local regulators. This is of practical importance, since the σ-models with valence quarks only are technically much easier to treat and simpler to solve than the quark models with the full-fledged Dirac sea
Latent log-linear models for handwritten digit classification.
Deselaers, Thomas; Gass, Tobias; Heigold, Georg; Ney, Hermann
2012-06-01
We present latent log-linear models, an extension of log-linear models incorporating latent variables, and we propose two applications thereof: log-linear mixture models and image deformation-aware log-linear models. The resulting models are fully discriminative, can be trained efficiently, and the model complexity can be controlled. Log-linear mixture models offer additional flexibility within the log-linear modeling framework. Unlike previous approaches, the image deformation-aware model directly considers image deformations and allows for a discriminative training of the deformation parameters. Both are trained using alternating optimization. For certain variants, convergence to a stationary point is guaranteed and, in practice, even variants without this guarantee converge and find models that perform well. We tune the methods on the USPS data set and evaluate on the MNIST data set, demonstrating the generalization capabilities of our proposed models. Our models, although using significantly fewer parameters, are able to obtain competitive results with models proposed in the literature.
Linear Regression Models for Estimating True Subsurface ...
Indian Academy of Sciences (India)
47
The objective is to minimize the processing time and computer memory required. 10 to carry out inversion .... to the mainland by two long bridges. .... term. In this approach, the model converges when the squared sum of the differences. 143.
Numerical modelling in non linear fracture mechanics
Directory of Open Access Journals (Sweden)
Viggo Tvergaard
2007-07-01
Full Text Available Some numerical studies of crack propagation are based on using constitutive models that accountfor damage evolution in the material. When a critical damage value has been reached in a materialpoint, it is natural to assume that this point has no more carrying capacity, as is done numerically in the elementvanish technique. In the present review this procedure is illustrated for micromechanically based materialmodels, such as a ductile failure model that accounts for the nucleation and growth of voids to coalescence, and a model for intergranular creep failure with diffusive growth of grain boundary cavities leading to micro-crack formation. The procedure is also illustrated for low cycle fatigue, based on continuum damage mechanics. In addition, the possibility of crack growth predictions for elastic-plastic solids using cohesive zone models to represent the fracture process is discussed.
International Nuclear Information System (INIS)
Christophe Poinssot; Etienne Tevissen; Jacques Ly; Michael Descostes; Virginie Blin; Catherine Beaucaire; Florence Goutelard; Christelle Latrille; Philippe Jacquier
2006-01-01
set on the sorption of major ions and radionuclides on many clay minerals and some other mineral phases such as iron oxides. These data allows one to build predictive models of radionuclides sorption on complex rocks. Furthermore, this work is completed by batch Kd measurements on the whole rocks for specific radionuclides in particular in the low concentration domain. In a second approach, the question of compatibility between sorption values obtained with dispersed systems in batch tests, and retardation during a diffusive process in the compacted material, has then to be assessed. Indeed, intact argillaceous rocks and compacted bentonite or cements are complex chemical and physical systems in which the pore water chemistry and the accessibility of retention site are still poorly understood. In that purpose, CEA-DPC is currently developing a full set of experimental means (diffusion cells, columns and μLIBS) dedicated to the direct investigation of radionuclide behavior affected by the coupled effect of sorption and diffusion. Finally, the behaviour of radioactive tracers is currently being validated by the in-situ measurements performed within the URL of Meuse/Haute-Marne with ANDRA. (authors)
Random effect selection in generalised linear models
DEFF Research Database (Denmark)
Denwood, Matt; Houe, Hans; Forkman, Björn
We analysed abattoir recordings of meat inspection codes with possible relevance to onfarm animal welfare in cattle. Random effects logistic regression models were used to describe individual-level data obtained from 461,406 cattle slaughtered in Denmark. Our results demonstrate that the largest...
Model Order Reduction for Non Linear Mechanics
Pinillo, Rubén
2017-01-01
Context: Automotive industry is moving towards a new generation of cars. Main idea: Cars are furnished with radars, cameras, sensors, etc… providing useful information about the environment surrounding the car. Goals: Provide an efficient model for the radar input/output. Reducing computational costs by means of big data techniques.
Identification of Influential Points in a Linear Regression Model
Directory of Open Access Journals (Sweden)
Jan Grosz
2011-03-01
Full Text Available The article deals with the detection and identification of influential points in the linear regression model. Three methods of detection of outliers and leverage points are described. These procedures can also be used for one-sample (independentdatasets. This paper briefly describes theoretical aspects of several robust methods as well. Robust statistics is a powerful tool to increase the reliability and accuracy of statistical modelling and data analysis. A simulation model of the simple linear regression is presented.
Heterotic sigma models and non-linear strings
International Nuclear Information System (INIS)
Hull, C.M.
1986-01-01
The two-dimensional supersymmetric non-linear sigma models are examined with respect to the heterotic string. The paper was presented at the workshop on :Supersymmetry and its applications', Cambridge, United Kingdom, 1985. The non-linear sigma model with Wess-Zumino-type term, the coupling of the fermionic superfields to the sigma model, super-conformal invariance, and the supersymmetric string, are all discussed. (U.K.)
Linear latent variable models: the lava-package
DEFF Research Database (Denmark)
Holst, Klaus Kähler; Budtz-Jørgensen, Esben
2013-01-01
are implemented including robust standard errors for clustered correlated data, multigroup analyses, non-linear parameter constraints, inference with incomplete data, maximum likelihood estimation with censored and binary observations, and instrumental variable estimators. In addition an extensive simulation......An R package for specifying and estimating linear latent variable models is presented. The philosophy of the implementation is to separate the model specification from the actual data, which leads to a dynamic and easy way of modeling complex hierarchical structures. Several advanced features...
On-line control models for the Stanford Linear Collider
International Nuclear Information System (INIS)
Sheppard, J.C.; Helm, R.H.; Lee, M.J.; Woodley, M.D.
1983-03-01
Models for computer control of the SLAC three-kilometer linear accelerator and damping rings have been developed as part of the control system for the Stanford Linear Collider. Some of these models have been tested experimentally and implemented in the control program for routine linac operations. This paper will describe the development and implementation of these models, as well as some of the operational results
Bayesian Subset Modeling for High-Dimensional Generalized Linear Models
Liang, Faming
2013-06-01
This article presents a new prior setting for high-dimensional generalized linear models, which leads to a Bayesian subset regression (BSR) with the maximum a posteriori model approximately equivalent to the minimum extended Bayesian information criterion model. The consistency of the resulting posterior is established under mild conditions. Further, a variable screening procedure is proposed based on the marginal inclusion probability, which shares the same properties of sure screening and consistency with the existing sure independence screening (SIS) and iterative sure independence screening (ISIS) procedures. However, since the proposed procedure makes use of joint information from all predictors, it generally outperforms SIS and ISIS in real applications. This article also makes extensive comparisons of BSR with the popular penalized likelihood methods, including Lasso, elastic net, SIS, and ISIS. The numerical results indicate that BSR can generally outperform the penalized likelihood methods. The models selected by BSR tend to be sparser and, more importantly, of higher prediction ability. In addition, the performance of the penalized likelihood methods tends to deteriorate as the number of predictors increases, while this is not significant for BSR. Supplementary materials for this article are available online. © 2013 American Statistical Association.
Generalized Linear Models with Applications in Engineering and the Sciences
Myers, Raymond H; Vining, G Geoffrey; Robinson, Timothy J
2012-01-01
Praise for the First Edition "The obvious enthusiasm of Myers, Montgomery, and Vining and their reliance on their many examples as a major focus of their pedagogy make Generalized Linear Models a joy to read. Every statistician working in any area of applied science should buy it and experience the excitement of these new approaches to familiar activities."-Technometrics Generalized Linear Models: With Applications in Engineering and the Sciences, Second Edition continues to provide a clear introduction to the theoretical foundations and key applications of generalized linear models (GLMs). Ma
Modelling a linear PM motor including magnetic saturation
Polinder, H.; Slootweg, J.G.; Compter, J.C.; Hoeijmakers, M.J.
2002-01-01
The use of linear permanent-magnet (PM) actuators increases in a wide variety of applications because of the high force density, robustness and accuracy. The paper describes the modelling of a linear PM motor applied in, for example, wafer steppers, including magnetic saturation. This is important
Application of the simplex method of linear programming model to ...
African Journals Online (AJOL)
This work discussed how the simplex method of linear programming could be used to maximize the profit of any business firm using Saclux Paint Company as a case study. It equally elucidated the effect variation in the optimal result obtained from linear programming model, will have on any given firm. It was demonstrated ...
Genetic parameters for racing records in trotters using linear and generalized linear models.
Suontama, M; van der Werf, J H J; Juga, J; Ojala, M
2012-09-01
Heritability and repeatability and genetic and phenotypic correlations were estimated for trotting race records with linear and generalized linear models using 510,519 records on 17,792 Finnhorses and 513,161 records on 25,536 Standardbred trotters. Heritability and repeatability were estimated for single racing time and earnings traits with linear models, and logarithmic scale was used for racing time and fourth-root scale for earnings to correct for nonnormality. Generalized linear models with a gamma distribution were applied for single racing time and with a multinomial distribution for single earnings traits. In addition, genetic parameters for annual earnings were estimated with linear models on the observed and fourth-root scales. Racing success traits of single placings, winnings, breaking stride, and disqualifications were analyzed using generalized linear models with a binomial distribution. Estimates of heritability were greatest for racing time, which ranged from 0.32 to 0.34. Estimates of heritability were low for single earnings with all distributions, ranging from 0.01 to 0.09. Annual earnings were closer to normal distribution than single earnings. Heritability estimates were moderate for annual earnings on the fourth-root scale, 0.19 for Finnhorses and 0.27 for Standardbred trotters. Heritability estimates for binomial racing success variables ranged from 0.04 to 0.12, being greatest for winnings and least for breaking stride. Genetic correlations among racing traits were high, whereas phenotypic correlations were mainly low to moderate, except correlations between racing time and earnings were high. On the basis of a moderate heritability and moderate to high repeatability for racing time and annual earnings, selection of horses for these traits is effective when based on a few repeated records. Because of high genetic correlations, direct selection for racing time and annual earnings would also result in good genetic response in racing success.
International Nuclear Information System (INIS)
Waite, T.D.; Payne T.E.; Davis, J.A.
1993-01-01
An extensive experimental program has been conducted over the last three years into the interaction of U(VI) with both single oxides and clays and complex natural substrates from the weathered zone in the vicinity of a uranium ore body in northern Australia. While iron oxides have frequently been considered to account for much of the uptake on such natural substrates, the results of laboratory open-quotes pH edgeclose quotes studies and of isotope exchange and selective extraction studies suggest that other phases must also play a significant role in controlling the partitioning of U(VI) between solid and solution phases. Supporting studies on kaolinite, the dominant clay in this system, provide insight into the most appropriate method of modelling the interaction of U(VI) with these natural substrates. The problems still remaining in adequately describing sorption of radionuclides and trace elements to complex natural substrates are discussed
Sorption Energy Maps of Clay Mineral Surfaces
International Nuclear Information System (INIS)
Cygan, Randall T.; Kirkpatrick, R. James
1999-01-01
A molecular-level understanding of mineral-water interactions is critical for the evaluation and prediction of the sorption properties of clay minerals that may be used in various chemical and radioactive waste disposal methods. Molecular models of metal sorption incorporate empirical energy force fields, based on molecular orbital calculations and spectroscopic data, that account for Coulombic, van der Waals attractive, and short-range repulsive energies. The summation of the non-bonded energy terms at equally-spaced grid points surrounding a mineral substrate provides a three dimensional potential energy grid. The energy map can be used to determine the optimal sorption sites of metal ions on the exposed surfaces of the mineral. By using this approach, we have evaluated the crystallographic and compositional control of metal sorption on the surfaces of kaolinite and illite. Estimates of the relative sorption energy and most stable sorption sites are derived based on a rigid ion approximation
Sorption isotherms, GAB parameters and isosteric heat of sorption
Quirijns, E.J.; Boxtel, van A.J.B.; Loon, van W.K.P.; Straten, van G.
2005-01-01
The diffusion-sorption drying model has been developed as a physics-based way to model the decreasing drying rate at low moisture contents. This new model is founded on the existence of different classes of water: free and bound water. The transition between these classes and the corresponding
Linear approximation model network and its formation via ...
Indian Academy of Sciences (India)
niques, an alternative `linear approximation model' (LAM) network approach is .... network is LPV, existing LTI theory is difficult to apply (Kailath 1980). ..... Beck J V, Arnold K J 1977 Parameter estimation in engineering and science (New York: ...
Sphaleron in a non-linear sigma model
International Nuclear Information System (INIS)
Sogo, Kiyoshi; Fujimoto, Yasushi.
1989-08-01
We present an exact classical saddle point solution in a non-linear sigma model. It has a topological charge 1/2 and mediates the vacuum transition. The quantum fluctuations and the transition rate are also examined. (author)
On D-branes from gauged linear sigma models
International Nuclear Information System (INIS)
Govindarajan, S.; Jayaraman, T.; Sarkar, T.
2001-01-01
We study both A-type and B-type D-branes in the gauged linear sigma model by considering worldsheets with boundary. The boundary conditions on the matter and vector multiplet fields are first considered in the large-volume phase/non-linear sigma model limit of the corresponding Calabi-Yau manifold, where we find that we need to add a contact term on the boundary. These considerations enable to us to derive the boundary conditions in the full gauged linear sigma model, including the addition of the appropriate boundary contact terms, such that these boundary conditions have the correct non-linear sigma model limit. Most of the analysis is for the case of Calabi-Yau manifolds with one Kaehler modulus (including those corresponding to hypersurfaces in weighted projective space), though we comment on possible generalisations
Optimization for decision making linear and quadratic models
Murty, Katta G
2010-01-01
While maintaining the rigorous linear programming instruction required, Murty's new book is unique in its focus on developing modeling skills to support valid decision-making for complex real world problems, and includes solutions to brand new algorithms.
Study of linear induction motor characteristics : the Mosebach model
1976-05-31
This report covers the Mosebach theory of the double-sided linear induction motor, starting with the ideallized model and accompanying assumptions, and ending with relations for thrust, airgap power, and motor efficiency. Solutions of the magnetic in...
Study of linear induction motor characteristics : the Oberretl model
1975-05-30
The Oberretl theory of the double-sided linear induction motor (LIM) is examined, starting with the idealized model and accompanying assumptions, and ending with relations for predicted thrust, airgap power, and motor efficiency. The effect of varyin...
Waldner, Georg; Friesl-Hanl, Wolfgang; Haberhauer, Georg; Gerzabek, Martin H
The sorption behavior of the herbicide 4-chloro-2-methylphenoxyacetic acid (MCPA) to three different artificial soil mixtures was investigated. Artificial soils serve as model systems for improving understanding of sorption phenomena. The soils consisted of quartz, ferrihydrite, illite, montmorillonite, and charcoal. In a previous study, several selected mixtures had been inoculated with organic matter, and microbial aging (incubation) had been performed for different periods of time (3, 12, and 18 months) before conducting the sorption experiments. The effect of this pre-incubation time on the sorption behavior was determined. Interaction of MCPA with soil surfaces was monitored by aqueous phase sorption experiments, using high-performance liquid chromatography/ultraviolet and in selected cases Fourier-transformed infrared spectroscopy. The sorption behavior showed large differences between differently aged soils; Freundlich and linear sorption model fits (with sorption constants K f , 1/ n exponents, and K d values, respectively) were given for pH = 3 and the unbuffered pH of ∼7. The largest extent of sorption from diluted solutions was found on the surfaces with a pre-incubation time of 3 months. Sorption increased at acidic pH values. Regarding the influence of aging of artificial soils, the following conclusions were drawn: young artificial soils exhibit stronger sorption at lower concentrations, with a larger K f value than aged soils. A correlation with organic carbon content was not confirmed. Thus, the sorption characteristics of the soils are more influenced by the aging of the organic carbon than by the organic carbon content itself.
Optimization Research of Generation Investment Based on Linear Programming Model
Wu, Juan; Ge, Xueqian
Linear programming is an important branch of operational research and it is a mathematical method to assist the people to carry out scientific management. GAMS is an advanced simulation and optimization modeling language and it will combine a large number of complex mathematical programming, such as linear programming LP, nonlinear programming NLP, MIP and other mixed-integer programming with the system simulation. In this paper, based on the linear programming model, the optimized investment decision-making of generation is simulated and analyzed. At last, the optimal installed capacity of power plants and the final total cost are got, which provides the rational decision-making basis for optimized investments.
Sorption of biodegradation end products of nonylphenol polyethoxylates onto activated sludge.
Hung, Nguyen Viet; Tateda, Masafumi; Ike, Michihiko; Fujita, Masanori; Tsunoi, Shinji; Tanaka, Minoru
2004-01-01
Nonylphenol(NP), nonylphenoxy acetic acid (NP1EC), nonylphenol monoethoxy acetic acid (NP2EC), nonylphenol monoethoxylate (NP1EO) and nonylphenol diethoxylate (NP2EO) are biodegradation end products (BEPs) of nonionic surfactant nonylphenolpolyethoxylates (NPnEO). In this research, sorption of these compounds onto model activated sludge was characterized. Sorption equilibrium experiments showed that NP, NP1EO and NP2EO reached equilibrium in about 12 h, while equilibrium of NP1EC and NP2EC were reached earlier, in about 4 h. In sorption isotherm experiments, obtained equilibrium data at 28 degrees C fitted well to Freundlich sorption model for all investigated compounds. For NP1EC, in addition to Freundlich, equilibrium data also fitted well to Langmuir model. Linear sorption model was also tried, and equilibrium data of all NP, NP1EO, NP2EO and NP2EC except NP1EC fitted well to this model. Calculated Freundlich coefficient (K(F)) and linear sorption coefficient (K(D)) showed that sorption capacity of the investigated compounds were in order NP > NP2EO > NP1EO > NP1EC approximately NP2EC. For NP, NP1EO and NP2EO, high values of calculated K(F) and K(D) indicated an easy uptake of these compounds from aqueous phase onto activated sludge. Whereas, NP1EC and NP2EC with low values of K(F) and K(D) absorbed weakly to activated sludge and tended to preferably remain in aqueous phase.
Pham, Tony; Forrest, Katherine A.; McDonald, Kyle; Space, Brian
2014-01-01
© 2014 American Chemical Society. Simulations of CO2 sorption were performed in two members of the highly tunable rht-metal-organic framework (MOF) platform: PCN-61 and PCN-66. These MOFs differ only in the triisophthalate ligand used to synthesize the respective MOFs. In PCN-61, the center of the ligand contains a benzene ring; this ring is substituted with a triphenylamine group in PCN-66. There are two chemically distinct Cu2+ ions that comprise the copper paddlewheels, [Cu2(O2CR)4], in all rht-MOFs. One type of Cu2+ ion, denoted Cu1, projects into the truncated tetrahedral (T-Td) and truncated octahedral (T-Oh) cages, while the other Cu2+ ion, denoted Cu2, projects into the cuboctahedral (cub-Oh) cages. Electronic structure calculations revealed that, in PCN-61, the Cu2 ions have a significantly higher partial positive charge than the Cu1 ions, whereas the opposite was observed in PCN-66. The simulations revealed that the CO2 molecules sorb initially onto the Cu2+ ions that have the higher partial positive charge, i.e., the Cu2 ions in PCN-61 and the Cu1 ions in PCN-66. This was demonstrated by examining the radial distribution function, g(r), about both Cu2+ ions and the modeled structure at low loading for both MOFs. This study provided insights into how differences in the charge distributions about the copper paddlewheels between two isostructural MOFs, arising from the choice of functionality on the ligand, can lead to different CO2 binding sites at low loading and suggests a more general conceptual framework for controlling sorption through the tuning of MOF electronics.
Pham, Tony
2014-11-05
© 2014 American Chemical Society. Simulations of CO2 sorption were performed in two members of the highly tunable rht-metal-organic framework (MOF) platform: PCN-61 and PCN-66. These MOFs differ only in the triisophthalate ligand used to synthesize the respective MOFs. In PCN-61, the center of the ligand contains a benzene ring; this ring is substituted with a triphenylamine group in PCN-66. There are two chemically distinct Cu2+ ions that comprise the copper paddlewheels, [Cu2(O2CR)4], in all rht-MOFs. One type of Cu2+ ion, denoted Cu1, projects into the truncated tetrahedral (T-Td) and truncated octahedral (T-Oh) cages, while the other Cu2+ ion, denoted Cu2, projects into the cuboctahedral (cub-Oh) cages. Electronic structure calculations revealed that, in PCN-61, the Cu2 ions have a significantly higher partial positive charge than the Cu1 ions, whereas the opposite was observed in PCN-66. The simulations revealed that the CO2 molecules sorb initially onto the Cu2+ ions that have the higher partial positive charge, i.e., the Cu2 ions in PCN-61 and the Cu1 ions in PCN-66. This was demonstrated by examining the radial distribution function, g(r), about both Cu2+ ions and the modeled structure at low loading for both MOFs. This study provided insights into how differences in the charge distributions about the copper paddlewheels between two isostructural MOFs, arising from the choice of functionality on the ligand, can lead to different CO2 binding sites at low loading and suggests a more general conceptual framework for controlling sorption through the tuning of MOF electronics.
Generalized linear mixed models modern concepts, methods and applications
Stroup, Walter W
2012-01-01
PART I The Big PictureModeling BasicsWhat Is a Model?Two Model Forms: Model Equation and Probability DistributionTypes of Model EffectsWriting Models in Matrix FormSummary: Essential Elements for a Complete Statement of the ModelDesign MattersIntroductory Ideas for Translating Design and Objectives into ModelsDescribing ""Data Architecture"" to Facilitate Model SpecificationFrom Plot Plan to Linear PredictorDistribution MattersMore Complex Example: Multiple Factors with Different Units of ReplicationSetting the StageGoals for Inference with Models: OverviewBasic Tools of InferenceIssue I: Data
A comparison of linear tyre models for analysing shimmy
Besselink, I.J.M.; Maas, J.W.L.H.; Nijmeijer, H.
2011-01-01
A comparison is made between three linear, dynamic tyre models using low speed step responses and yaw oscillation tests. The match with the measurements improves with increasing complexity of the tyre model. Application of the different tyre models to a two degree of freedom trailing arm suspension
Unification of three linear models for the transient visual system
Brinker, den A.C.
1989-01-01
Three different linear filters are considered as a model describing the experimentally determined triphasic impulse responses of discs. These impulse responses arc associated with the transient visual system. Each model reveals a different feature of the system. Unification of the models is
A BEHAVIORAL-APPROACH TO LINEAR EXACT MODELING
ANTOULAS, AC; WILLEMS, JC
1993-01-01
The behavioral approach to system theory provides a parameter-free framework for the study of the general problem of linear exact modeling and recursive modeling. The main contribution of this paper is the solution of the (continuous-time) polynomial-exponential time series modeling problem. Both
Energy Technology Data Exchange (ETDEWEB)
Van der Pal, M.; De Boer, R.; Wemmers, A.K.; Smeding, S.F.; Veldhuis, J.B.J.; Lycklama a Nijeholt, J.A.
2013-10-15
Thermally driven sorption systems can provide significant energy savings, especially in industrial applications. The driving temperature for operation of such systems limits the operating window and can be a barrier for market-introduction. By adding a compressor, the sorption cycle can be run using lower waste heat temperatures. ECN has recently started the development of such a hybrid heat pump. The final goal is to develop a hybrid heat pump for upgrading lower (<100C) temperature industrial waste heat to above pinch temperatures. The paper presents the first measurements and model calculations of a hybrid heat pump system using a water-silica gel system combined with a Roots type compressor. From the measurements can be seen that the effect of the compressor is dependent on where in the cycle it is placed. When placed between the evaporator and the sorption reactor, it has a considerable larger effect compared to the compressor placed between the sorption reactor and the condenser. The latter hardly improves the performance compared to purely heat-driven operation. This shows the importance of studying the interaction between all components of the system. The model, which shows reasonable correlation with the measurements, could proof to be a valuable tool to determine the optimal hybrid heat pump configuration.
Linearized models for a new magnetic control in MAST
Energy Technology Data Exchange (ETDEWEB)
Artaserse, G., E-mail: giovanni.artaserse@enea.it [Associazione Euratom-ENEA sulla Fusione, Via Enrico Fermi 45, I-00044 Frascati (RM) (Italy); Maviglia, F.; Albanese, R. [Associazione Euratom-ENEA-CREATE sulla Fusione, Via Claudio 21, I-80125 Napoli (Italy); McArdle, G.J.; Pangione, L. [EURATOM/CCFE Fusion Association, Culham Science Centre, Abingdon, Oxon, OX14 3DB (United Kingdom)
2013-10-15
Highlights: ► We applied linearized models for a new magnetic control on MAST tokamak. ► A suite of procedures, conceived to be machine independent, have been used. ► We carried out model-based simulations, taking into account eddy currents effects. ► Comparison with the EFIT flux maps and the experimental magnetic signals are shown. ► A current driven model for the dynamic simulations of the experimental data have been performed. -- Abstract: The aim of this work is to provide reliable linearized models for the design and assessment of a new magnetic control system for MAST (Mega Ampère Spherical Tokamak) using rtEFIT, which can easily be exported to MAST Upgrade. Linearized models for magnetic control have been obtained using the 2D axisymmetric finite element code CREATE L. MAST linearized models include equivalent 2D axisymmetric schematization of poloidal field (PF) coils, vacuum vessel, and other conducting structures. A plasmaless and a double null configuration have been chosen as benchmark cases for the comparison with experimental data and EFIT reconstructions. Good agreement has been found with the EFIT flux map and the experimental signals coming from magnetic probes with only few mismatches probably due to broken sensors. A suite of procedures (equipped with a user friendly interface to be run even remotely) to provide linearized models for magnetic control is now available on the MAST linux machines. A new current driven model has been used to obtain a state space model having the PF coil currents as inputs. Dynamic simulations of experimental data have been carried out using linearized models, including modelling of the effects of the passive structures, showing a fair agreement. The modelling activity has been useful also to reproduce accurately the interaction between plasma current and radial position control loops.
Linearized models for a new magnetic control in MAST
International Nuclear Information System (INIS)
Artaserse, G.; Maviglia, F.; Albanese, R.; McArdle, G.J.; Pangione, L.
2013-01-01
Highlights: ► We applied linearized models for a new magnetic control on MAST tokamak. ► A suite of procedures, conceived to be machine independent, have been used. ► We carried out model-based simulations, taking into account eddy currents effects. ► Comparison with the EFIT flux maps and the experimental magnetic signals are shown. ► A current driven model for the dynamic simulations of the experimental data have been performed. -- Abstract: The aim of this work is to provide reliable linearized models for the design and assessment of a new magnetic control system for MAST (Mega Ampère Spherical Tokamak) using rtEFIT, which can easily be exported to MAST Upgrade. Linearized models for magnetic control have been obtained using the 2D axisymmetric finite element code CREATE L. MAST linearized models include equivalent 2D axisymmetric schematization of poloidal field (PF) coils, vacuum vessel, and other conducting structures. A plasmaless and a double null configuration have been chosen as benchmark cases for the comparison with experimental data and EFIT reconstructions. Good agreement has been found with the EFIT flux map and the experimental signals coming from magnetic probes with only few mismatches probably due to broken sensors. A suite of procedures (equipped with a user friendly interface to be run even remotely) to provide linearized models for magnetic control is now available on the MAST linux machines. A new current driven model has been used to obtain a state space model having the PF coil currents as inputs. Dynamic simulations of experimental data have been carried out using linearized models, including modelling of the effects of the passive structures, showing a fair agreement. The modelling activity has been useful also to reproduce accurately the interaction between plasma current and radial position control loops
International Nuclear Information System (INIS)
Zhao, Xiao; Gong, Yanyan; O’Reilly, S.E.; Zhao, Dongye
2015-01-01
Highlights: • Oil dispersant enhances solubilization of PAHs more effectively than surfactants. • Dispersant and dispersed oil enhance sediment sorption of PAHs and induce hysteresis. • Partitioning to sediment-sorbed dispersant is the mechanism for enhanced PAH uptake. • Dual-mode models well simulate dispersant-facilitated sorption of PAHs on sediment. • Deepwater conditions reduce solubilization of PAHs and lessen dispersant effects. - Abstract: This work investigated effects of a prototype oil dispersant on solubilization, sorption and desorption of three model PAHs in sediment–seawater systems. Increasing dispersant dosage linearly enhanced solubility for all PAHs. Conversely, the dispersant enhanced the sediment uptake of the PAHs, and induced significant desorption hysteresis. Such contrasting effects (adsolubilization vs. solubilization) of dispersant were found dependent of the dispersant concentration and PAH hydrophobicity. The dual-mode models adequately simulated the sorption kinetics and isotherms, and quantified dispersant-enhanced PAH uptake. Sorption of naphthalene and 1-methylnaphthalene by sediment positively correlated with uptake of the dispersant, while sorption of pyrene dropped sharply when the dispersant exceeded its critical micelle concentration (CMC). The deepwater conditions diminished the dispersant effects on solubilization, but enhanced uptake of the PAHs, albeit sorption of the dispersant was lowered. The information may aid in understanding roles of dispersants on distribution, fate and transport of petroleum PAHs in marine systems
H∞ /H2 model reduction through dilated linear matrix inequalities
DEFF Research Database (Denmark)
Adegas, Fabiano Daher; Stoustrup, Jakob
2012-01-01
This paper presents sufficient dilated linear matrix inequalities (LMI) conditions to the $H_{infty}$ and $H_{2}$ model reduction problem. A special structure of the auxiliary (slack) variables allows the original model of order $n$ to be reduced to an order $r=n/s$ where $n,r,s in field{N}$. Arb......This paper presents sufficient dilated linear matrix inequalities (LMI) conditions to the $H_{infty}$ and $H_{2}$ model reduction problem. A special structure of the auxiliary (slack) variables allows the original model of order $n$ to be reduced to an order $r=n/s$ where $n,r,s in field...
International Nuclear Information System (INIS)
Daehn, R.; Baeyens, B.; Bradbury, M.H.
2012-01-01
Document available in extended abstract form only. The sorption of radioactive elements on the immobile components in the near- and far-fields of a deep geological radioactive waste repository is a significant process in retarding their aqueous phase transport and an important component in safety assessment studies. The development of robust and well-founded mechanistic sorption models to predict the uptake of radionuclides under different geochemical conditions would enhance the justification and defensibility of the sorption values used in safety studies and thereby represent a considerable contribution to the scientific basis for radioactive waste disposal. The 2 site proto-lysis non electrostatic surface complexation and cation exchange (2SPNE SC/CE) sorption model has been used over the past decade or so to quantitatively describe the uptake of metals with oxidation states from II to VI on 2:1 clay minerals; montmorillonite and illite (Bradbury and Baeyens, 1997). One of the main features in this model is that there are two broad categories of amphoteric edge sorption sites; the so called strong (≡SSOH) and weak (≡SW1OH) sites. Because of their different sorption characteristics, it was expected that the coordination environments of the surface complexes on the two site types would be different. Although the 2SPNE SC/CE model uses different mechanistic uptake processes to describe sorption, it can only be described as a 'quasi mechanistic' model because the exact nature of the surface binding sites and surface complexes is not known. In order to check the 'strong site / weak site' sorption sites hypothesis in the 2SPNE SC/CE sorption model, it was essential to perform polarised extended X-ray absorption fine structure (P-EXAFS) measurements on an uptake system, in which it was possible to obtain good spectra particularly at the low metal loadings (∼2 mmol kg-1 or less) corresponding to occupancies dominated by strong sites. The Zn-montmorillonite system
Non-linear Growth Models in Mplus and SAS
Grimm, Kevin J.; Ram, Nilam
2013-01-01
Non-linear growth curves or growth curves that follow a specified non-linear function in time enable researchers to model complex developmental patterns with parameters that are easily interpretable. In this paper we describe how a variety of sigmoid curves can be fit using the Mplus structural modeling program and the non-linear mixed-effects modeling procedure NLMIXED in SAS. Using longitudinal achievement data collected as part of a study examining the effects of preschool instruction on academic gain we illustrate the procedures for fitting growth models of logistic, Gompertz, and Richards functions. Brief notes regarding the practical benefits, limitations, and choices faced in the fitting and estimation of such models are included. PMID:23882134
Variance Function Partially Linear Single-Index Models1.
Lian, Heng; Liang, Hua; Carroll, Raymond J
2015-01-01
We consider heteroscedastic regression models where the mean function is a partially linear single index model and the variance function depends upon a generalized partially linear single index model. We do not insist that the variance function depend only upon the mean function, as happens in the classical generalized partially linear single index model. We develop efficient and practical estimation methods for the variance function and for the mean function. Asymptotic theory for the parametric and nonparametric parts of the model is developed. Simulations illustrate the results. An empirical example involving ozone levels is used to further illustrate the results, and is shown to be a case where the variance function does not depend upon the mean function.
Comparison between linear quadratic and early time dose models
International Nuclear Information System (INIS)
Chougule, A.A.; Supe, S.J.
1993-01-01
During the 70s, much interest was focused on fractionation in radiotherapy with the aim of improving tumor control rate without producing unacceptable normal tissue damage. To compare the radiobiological effectiveness of various fractionation schedules, empirical formulae such as Nominal Standard Dose, Time Dose Factor, Cumulative Radiation Effect and Tumour Significant Dose, were introduced and were used despite many shortcomings. It has been claimed that a recent linear quadratic model is able to predict the radiobiological responses of tumours as well as normal tissues more accurately. We compared Time Dose Factor and Tumour Significant Dose models with the linear quadratic model for tumour regression in patients with carcinomas of the cervix. It was observed that the prediction of tumour regression estimated by the Tumour Significant Dose and Time Dose factor concepts varied by 1.6% from that of the linear quadratic model prediction. In view of the lack of knowledge of the precise values of the parameters of the linear quadratic model, it should be applied with caution. One can continue to use the Time Dose Factor concept which has been in use for more than a decade as its results are within ±2% as compared to that predicted by the linear quadratic model. (author). 11 refs., 3 figs., 4 tabs
Phylogenetic mixtures and linear invariants for equal input models.
Casanellas, Marta; Steel, Mike
2017-04-01
The reconstruction of phylogenetic trees from molecular sequence data relies on modelling site substitutions by a Markov process, or a mixture of such processes. In general, allowing mixed processes can result in different tree topologies becoming indistinguishable from the data, even for infinitely long sequences. However, when the underlying Markov process supports linear phylogenetic invariants, then provided these are sufficiently informative, the identifiability of the tree topology can be restored. In this paper, we investigate a class of processes that support linear invariants once the stationary distribution is fixed, the 'equal input model'. This model generalizes the 'Felsenstein 1981' model (and thereby the Jukes-Cantor model) from four states to an arbitrary number of states (finite or infinite), and it can also be described by a 'random cluster' process. We describe the structure and dimension of the vector spaces of phylogenetic mixtures and of linear invariants for any fixed phylogenetic tree (and for all trees-the so called 'model invariants'), on any number n of leaves. We also provide a precise description of the space of mixtures and linear invariants for the special case of [Formula: see text] leaves. By combining techniques from discrete random processes and (multi-) linear algebra, our results build on a classic result that was first established by James Lake (Mol Biol Evol 4:167-191, 1987).
Non-linear calibration models for near infrared spectroscopy
DEFF Research Database (Denmark)
Ni, Wangdong; Nørgaard, Lars; Mørup, Morten
2014-01-01
by ridge regression (RR). The performance of the different methods is demonstrated by their practical applications using three real-life near infrared (NIR) data sets. Different aspects of the various approaches including computational time, model interpretability, potential over-fitting using the non-linear...... models on linear problems, robustness to small or medium sample sets, and robustness to pre-processing, are discussed. The results suggest that GPR and BANN are powerful and promising methods for handling linear as well as nonlinear systems, even when the data sets are moderately small. The LS......-SVM), relevance vector machines (RVM), Gaussian process regression (GPR), artificial neural network (ANN), and Bayesian ANN (BANN). In this comparison, partial least squares (PLS) regression is used as a linear benchmark, while the relationship of the methods is considered in terms of traditional calibration...
International Nuclear Information System (INIS)
Budiman Sastrowardoyo, Pratomo
1991-01-01
In the framework of the problem of the radioactive waste disposal in deep geological sites, the purpose of this study is to predict the sorption of radionuclides on minerals within the geological barrier, after the rupture of the containers and the release of the radionuclides into underground water. Neodymium labelled by 147 Nd was used as an analogue of trivalent actinides. Calcite and smectite were used as examples of altered minerals of granitic sites. In simple media, neodymium is retained with a high affinity on both minerals. Fast kinetics of fixation, high distribution coefficients and sorption capacities are favorable factors for the slowing down of radionuclide migration in underground water. Fixation on calcite is quasi irreversible. A second kinetic step was observed, leading to an increase of the retention capacity. In the first step, this is probably a superficial sorption, but with a non-homogeneous affinity for sorption sites. An exchange mechanism of Nd 3+ with Na + et Ca 2+ ions of smectite occurs. The Freundlich isotherm observed for both minerals can be used for predicting the retention of radioelements as a function of their concentration and introducing these data in a migration model after comparison with the results of dynamic and field experiments. (author) [fr
Estimation and variable selection for generalized additive partial linear models
Wang, Li
2011-08-01
We study generalized additive partial linear models, proposing the use of polynomial spline smoothing for estimation of nonparametric functions, and deriving quasi-likelihood based estimators for the linear parameters. We establish asymptotic normality for the estimators of the parametric components. The procedure avoids solving large systems of equations as in kernel-based procedures and thus results in gains in computational simplicity. We further develop a class of variable selection procedures for the linear parameters by employing a nonconcave penalized quasi-likelihood, which is shown to have an asymptotic oracle property. Monte Carlo simulations and an empirical example are presented for illustration. © Institute of Mathematical Statistics, 2011.
Matrix model and time-like linear dila ton matter
International Nuclear Information System (INIS)
Takayanagi, Tadashi
2004-01-01
We consider a matrix model description of the 2d string theory whose matter part is given by a time-like linear dilaton CFT. This is equivalent to the c=1 matrix model with a deformed, but very simple Fermi surface. Indeed, after a Lorentz transformation, the corresponding 2d spacetime is a conventional linear dila ton background with a time-dependent tachyon field. We show that the tree level scattering amplitudes in the matrix model perfectly agree with those computed in the world-sheet theory. The classical trajectories of fermions correspond to the decaying D-boranes in the time-like linear dilaton CFT. We also discuss the ground ring structure. Furthermore, we study the properties of the time-like Liouville theory by applying this matrix model description. We find that its ground ring structure is very similar to that of the minimal string. (author)
Vortices, semi-local vortices in gauged linear sigma model
International Nuclear Information System (INIS)
Kim, Namkwon
1998-11-01
We consider the static (2+1)D gauged linear sigma model. By analyzing the governing system of partial differential equations, we investigate various aspects of the model. We show the existence of energy finite vortices under a partially broken symmetry on R 2 with the necessary condition suggested by Y. Yang. We also introduce generalized semi-local vortices and show the existence of energy finite semi-local vortices under a certain condition. The vacuum manifold for the semi-local vortices turns out to be graded. Besides, with a special choice of a representation, we show that the O(3) sigma model of which target space is nonlinear is a singular limit of the gauged linear sigma model of which target space is linear. (author)
TENSOR DECOMPOSITIONS AND SPARSE LOG-LINEAR MODELS
Johndrow, James E.; Bhattacharya, Anirban; Dunson, David B.
2017-01-01
Contingency table analysis routinely relies on log-linear models, with latent structure analysis providing a common alternative. Latent structure models lead to a reduced rank tensor factorization of the probability mass function for multivariate categorical data, while log-linear models achieve dimensionality reduction through sparsity. Little is known about the relationship between these notions of dimensionality reduction in the two paradigms. We derive several results relating the support of a log-linear model to nonnegative ranks of the associated probability tensor. Motivated by these findings, we propose a new collapsed Tucker class of tensor decompositions, which bridge existing PARAFAC and Tucker decompositions, providing a more flexible framework for parsimoniously characterizing multivariate categorical data. Taking a Bayesian approach to inference, we illustrate empirical advantages of the new decompositions. PMID:29332971
Linear mixed models a practical guide using statistical software
West, Brady T; Galecki, Andrzej T
2006-01-01
Simplifying the often confusing array of software programs for fitting linear mixed models (LMMs), Linear Mixed Models: A Practical Guide Using Statistical Software provides a basic introduction to primary concepts, notation, software implementation, model interpretation, and visualization of clustered and longitudinal data. This easy-to-navigate reference details the use of procedures for fitting LMMs in five popular statistical software packages: SAS, SPSS, Stata, R/S-plus, and HLM. The authors introduce basic theoretical concepts, present a heuristic approach to fitting LMMs based on bo
Kandil, Mahrous M; El-Aswad, Ahmed F; Koskinen, William C
2015-01-01
Sorption-desorption of the insecticide imidacloprid 1-[(6-chloro-3-pyridinyl)-methyl]-N-nitro-2-imidazolidinimine onto a lacustrine sandy clay loam Egyptian soil and its clay and humic acid (HA) fractions was investigated in 24-h batch equilibrium experiments. Imidacloprid (IMDA) sorption-desorption isotherms onto the three sorbents were found to belong to a non-linear L-type and were best described by the Freundlich model. The value of the IMDA adsorption distribution coefficient, Kd(ads), varied according to its initial concentration and was ranged 40-84 for HA, 14-58 for clay and 1.85-4.15 for bulk soil. Freundlich sorption coefficient, Kf(ads), values were 63.0, 39.7 and 4.0 for HA, clay and bulk soil, respectively. The normalized soil Koc value for imidacloprid sorption was ∼800 indicating its slight mobility in soils. Nonlinear sorption isotherms were indicated by 1/n(ads) values imidacloprid sorption process with all tested sorbents. Gibbs free energy (ΔG) values indicated a spontaneous and physicosorption process for IMDA and a more favorable sorption to HA than clay and soil. In conclusion, although the humic acid fraction showed the highest capacity and affinity for imidacloprid sorption, the clay fraction contributed to approximately 95% of soil-sorbed insecticide. Clay and humic acid fractions were found to be the major two factors controlling IMDA sorption in soils. The slight mobility of IMDA in soils and the hysteresis phenomenon associated with the irreversibility of its sorption onto, mainly, clay and organic matter of soils make its leachability unlikely to occur.
Inverse Modelling Problems in Linear Algebra Undergraduate Courses
Martinez-Luaces, Victor E.
2013-01-01
This paper will offer an analysis from a theoretical point of view of mathematical modelling, applications and inverse problems of both causation and specification types. Inverse modelling problems give the opportunity to establish connections between theory and practice and to show this fact, a simple linear algebra example in two different…
Optical linear algebra processors - Noise and error-source modeling
Casasent, D.; Ghosh, A.
1985-01-01
The modeling of system and component noise and error sources in optical linear algebra processors (OLAPs) are considered, with attention to the frequency-multiplexed OLAP. General expressions are obtained for the output produced as a function of various component errors and noise. A digital simulator for this model is discussed.
Optical linear algebra processors: noise and error-source modeling.
Casasent, D; Ghosh, A
1985-06-01
The modeling of system and component noise and error sources in optical linear algebra processors (OLAP's) are considered, with attention to the frequency-multiplexed OLAP. General expressions are obtained for the output produced as a function of various component errors and noise. A digital simulator for this model is discussed.
CONTRIBUTIONS TO THE FINITE ELEMENT MODELING OF LINEAR ULTRASONIC MOTORS
Directory of Open Access Journals (Sweden)
Oana CHIVU
2013-05-01
Full Text Available The present paper is concerned with the main modeling elements as produced by means of thefinite element method of linear ultrasonic motors. Hence, first the model is designed and then a modaland harmonic analysis are carried out in view of outlining the main outcomes
Linear and Nonlinear Career Models: Metaphors, Paradigms, and Ideologies.
Buzzanell, Patrice M.; Goldzwig, Steven R.
1991-01-01
Examines the linear or bureaucratic career models (dominant in career research, metaphors, paradigms, and ideologies) which maintain career myths of flexibility and individualized routes to success in organizations incapable of offering such versatility. Describes nonlinear career models which offer suggestive metaphors for re-visioning careers…
Kelly, Grace M; O'Mahony, James A; Kelly, Alan L; O'Callaghan, Donal J
2016-09-01
Physical properties of spray-dried dairy powders depend on their composition and physical characteristics. This study investigated the effect of hydrolyzed whey protein on the microstructure and physical stability of dried model infant formula. Model infant formulas were produced containing either intact (DH 0) or hydrolyzed (DH 12) whey protein, where DH=degree of hydrolysis (%). Before spray drying, apparent viscosities of liquid feeds (at 55°C) at a shear rate of 500 s(-1) were 3.02 and 3.85 mPa·s for intact and hydrolyzed infant formulas, respectively. On reconstitution, powders with hydrolyzed whey protein had a significantly higher fat globule size and lower emulsion stability than intact whey protein powder. Lactose crystallization in powders occurred at higher relative humidity for hydrolyzed formula. The Guggenheim-Anderson-de Boer equation, fitted to sorption isotherms, showed increased monolayer moisture when intact protein was present. As expected, glass transition decreased significantly with increasing water content. Partial hydrolysis of whey protein in model infant formula resulted in altered powder particle surface morphology, lactose crystallization properties, and storage stability. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.
International Nuclear Information System (INIS)
Bradbury, M.H.; Baeyens, B.
2005-06-01
In an extensive study the physico-chemical, protolysis and sorption characteristics of Sr(II), Ni(II), Eu(III) and U(VI) have been measured on illite and modeled over a wide range of pH, sorbate and NaCI0 4 concentrations. SampIes of Illite du Puy, collected in the region of Le Puy-en- Velay, France, were carefully conditioned to the Na-form and physico-chemically characterised. Potentiometric titrations on suspensions of the Na-illite were carried out using a batch back titration technique in 0.01, 0.1 and 0.5 M NaCI0 4 background electrolytes from pH 2 to 12 in an inert atmosphere glove box. The supernatant solutions from each titration experiment in each series were analysed for K, Mg, Ca, Sr, Si, Al, Fe and Mn. The titration data were modeled in terms of the protolysis of two amphoteric edge sites (=S W1 0H and =S W2 0H) without an electrostatic term. The protonation/deprotonation constants and site capacities obtained from the titration measurements were then fixed. The sorption edge and isotherm data were modeled with strong (=S S OH) and weak (=S W1 0H) surface complexation sites, assumed to have the same protolysis constants, again without electrostatic terms. Uptake by cation exchange was included in all of the calculations. This sorption model, the 2 site protolysis non electrostatic surface complexation and cation exchange model, had been developed previously for montmorillonite and was successful in describing the sorption characteristics of Sr, Ni, Eu and U on Na-illite over a wide range of conditions. Cation exchange capacity, strong and weak site capacities and protolysis constants for Na-illite are given, together with surface complexation constants and selectivity coefficients for Sr, Ni, Eu and U. At 0.01 M NaCI0 4 and pH below 8 the sorption of Sr, Ni, Eu and U was dominated by a cation exchange mechanism. The strong dependency of sorption on pH observed under these conditions arose from the competitive effects of Ca and Al on the uptake of the
Energy Technology Data Exchange (ETDEWEB)
Bradbury, M.H.; Baeyens, B
2005-06-01
In an extensive study the physico-chemical, protolysis and sorption characteristics of Sr(II), Ni(II), Eu(III) and U(VI) have been measured on illite and modeled over a wide range of pH, sorbate and NaCI0{sub 4} concentrations. SampIes of Illite du Puy, collected in the region of Le Puy-en- Velay, France, were carefully conditioned to the Na-form and physico-chemically characterised. Potentiometric titrations on suspensions of the Na-illite were carried out using a batch back titration technique in 0.01, 0.1 and 0.5 M NaCI0{sub 4} background electrolytes from pH 2 to 12 in an inert atmosphere glove box. The supernatant solutions from each titration experiment in each series were analysed for K, Mg, Ca, Sr, Si, Al, Fe and Mn. The titration data were modeled in terms of the protolysis of two amphoteric edge sites (=S{sup W1}0H and =S{sup W2}0H) without an electrostatic term. The protonation/deprotonation constants and site capacities obtained from the titration measurements were then fixed. The sorption edge and isotherm data were modeled with strong (=S{sup S}OH) and weak (=S{sup W1}0H) surface complexation sites, assumed to have the same protolysis constants, again without electrostatic terms. Uptake by cation exchange was included in all of the calculations. This sorption model, the 2 site protolysis non electrostatic surface complexation and cation exchange model, had been developed previously for montmorillonite and was successful in describing the sorption characteristics of Sr, Ni, Eu and U on Na-illite over a wide range of conditions. Cation exchange capacity, strong and weak site capacities and protolysis constants for Na-illite are given, together with surface complexation constants and selectivity coefficients for Sr, Ni, Eu and U. At 0.01 M NaCI0{sub 4} and pH below 8 the sorption of Sr, Ni, Eu and U was dominated by a cation exchange mechanism. The strong dependency of sorption on pH observed under these conditions arose from the competitive effects of
Low-energy limit of the extended Linear Sigma Model
Energy Technology Data Exchange (ETDEWEB)
Divotgey, Florian [Johann Wolfgang Goethe-Universitaet, Institut fuer Theoretische Physik, Frankfurt am Main (Germany); Kovacs, Peter [Wigner Research Center for Physics, Hungarian Academy of Sciences, Institute for Particle and Nuclear Physics, Budapest (Hungary); GSI Helmholtzzentrum fuer Schwerionenforschung, ExtreMe Matter Institute, Darmstadt (Germany); Giacosa, Francesco [Johann Wolfgang Goethe-Universitaet, Institut fuer Theoretische Physik, Frankfurt am Main (Germany); Jan-Kochanowski University, Institute of Physics, Kielce (Poland); Rischke, Dirk H. [Johann Wolfgang Goethe-Universitaet, Institut fuer Theoretische Physik, Frankfurt am Main (Germany); University of Science and Technology of China, Interdisciplinary Center for Theoretical Study and Department of Modern Physics, Hefei, Anhui (China)
2018-01-15
The extended Linear Sigma Model is an effective hadronic model based on the linear realization of chiral symmetry SU(N{sub f}){sub L} x SU(N{sub f}){sub R}, with (pseudo)scalar and (axial-)vector mesons as degrees of freedom. In this paper, we study the low-energy limit of the extended Linear Sigma Model (eLSM) for N{sub f} = flavors by integrating out all fields except for the pions, the (pseudo-)Nambu-Goldstone bosons of chiral symmetry breaking. The resulting low-energy effective action is identical to Chiral Perturbation Theory (ChPT) after choosing a representative for the coset space generated by chiral symmetry breaking and expanding it in powers of (derivatives of) the pion fields. The tree-level values of the coupling constants of the effective low-energy action agree remarkably well with those of ChPT. (orig.)
Linear Power-Flow Models in Multiphase Distribution Networks: Preprint
Energy Technology Data Exchange (ETDEWEB)
Bernstein, Andrey; Dall' Anese, Emiliano
2017-05-26
This paper considers multiphase unbalanced distribution systems and develops approximate power-flow models where bus-voltages, line-currents, and powers at the point of common coupling are linearly related to the nodal net power injections. The linearization approach is grounded on a fixed-point interpretation of the AC power-flow equations, and it is applicable to distribution systems featuring (i) wye connections; (ii) ungrounded delta connections; (iii) a combination of wye-connected and delta-connected sources/loads; and, (iv) a combination of line-to-line and line-to-grounded-neutral devices at the secondary of distribution transformers. The proposed linear models can facilitate the development of computationally-affordable optimization and control applications -- from advanced distribution management systems settings to online and distributed optimization routines. Performance of the proposed models is evaluated on different test feeders.
Modelling and measurement of a moving magnet linear compressor performance
International Nuclear Information System (INIS)
Liang, Kun; Stone, Richard; Davies, Gareth; Dadd, Mike; Bailey, Paul
2014-01-01
A novel moving magnet linear compressor with clearance seals and flexure bearings has been designed and constructed. It is suitable for a refrigeration system with a compact heat exchanger, such as would be needed for CPU cooling. The performance of the compressor has been experimentally evaluated with nitrogen and a mathematical model has been developed to evaluate the performance of the linear compressor. The results from the compressor model and the measurements have been compared in terms of cylinder pressure, the ‘P–V’ loop, stroke, mass flow rate and shaft power. The cylinder pressure was not measured directly but was derived from the compressor dynamics and the motor magnetic force characteristics. The comparisons indicate that the compressor model is well validated and can be used to study the performance of this type of compressor, to help with design optimization and the identification of key parameters affecting the system transients. The electrical and thermodynamic losses were also investigated, particularly for the design point (stroke of 13 mm and pressure ratio of 3.0), since a full understanding of these can lead to an increase in compressor efficiency. - Highlights: • Model predictions of the performance of a novel moving magnet linear compressor. • Prototype linear compressor performance measurements using nitrogen. • Reconstruction of P–V loops using a model of the dynamics and electromagnetics. • Close agreement between the model and measurements for the P–V loops. • The design point motor efficiency was 74%, with potential improvements identified
The minimal linear σ model for the Goldstone Higgs
International Nuclear Information System (INIS)
Feruglio, F.; Gavela, M.B.; Kanshin, K.; Machado, P.A.N.; Rigolin, S.; Saa, S.
2016-01-01
In the context of the minimal SO(5) linear σ-model, a complete renormalizable Lagrangian -including gauge bosons and fermions- is considered, with the symmetry softly broken to SO(4). The scalar sector describes both the electroweak Higgs doublet and the singlet σ. Varying the σ mass would allow to sweep from the regime of perturbative ultraviolet completion to the non-linear one assumed in models in which the Higgs particle is a low-energy remnant of some strong dynamics. We analyze the phenomenological implications and constraints from precision observables and LHC data. Furthermore, we derive the d≤6 effective Lagrangian in the limit of heavy exotic fermions.
A variational formulation for linear models in coupled dynamic thermoelasticity
International Nuclear Information System (INIS)
Feijoo, R.A.; Moura, C.A. de.
1981-07-01
A variational formulation for linear models in coupled dynamic thermoelasticity which quite naturally motivates the design of a numerical scheme for the problem, is studied. When linked to regularization or penalization techniques, this algorithm may be applied to more general models, namely, the ones that consider non-linear constraints associated to variational inequalities. The basic postulates of Mechanics and Thermodynamics as well as some well-known mathematical techniques are described. A thorough description of the algorithm implementation with the finite-element method is also provided. Proofs for existence and uniqueness of solutions and for convergence of the approximations are presented, and some numerical results are exhibited. (Author) [pt
DEFF Research Database (Denmark)
Ommen, Torben Schmidt; Markussen, Wiebke Brix; Elmegaard, Brian
2014-01-01
In the paper, three frequently used operation optimisation methods are examined with respect to their impact on operation management of the combined utility technologies for electric power and DH (district heating) of eastern Denmark. The investigation focusses on individual plant operation...... differences and differences between the solution found by each optimisation method. One of the investigated approaches utilises LP (linear programming) for optimisation, one uses LP with binary operation constraints, while the third approach uses NLP (non-linear programming). The LP model is used...... as a benchmark, as this type is frequently used, and has the lowest amount of constraints of the three. A comparison of the optimised operation of a number of units shows significant differences between the three methods. Compared to the reference, the use of binary integer variables, increases operation...
Defining a Family of Cognitive Diagnosis Models Using Log-Linear Models with Latent Variables
Henson, Robert A.; Templin, Jonathan L.; Willse, John T.
2009-01-01
This paper uses log-linear models with latent variables (Hagenaars, in "Loglinear Models with Latent Variables," 1993) to define a family of cognitive diagnosis models. In doing so, the relationship between many common models is explicitly defined and discussed. In addition, because the log-linear model with latent variables is a general model for…
Functional linear models for association analysis of quantitative traits.
Fan, Ruzong; Wang, Yifan; Mills, James L; Wilson, Alexander F; Bailey-Wilson, Joan E; Xiong, Momiao
2013-11-01
Functional linear models are developed in this paper for testing associations between quantitative traits and genetic variants, which can be rare variants or common variants or the combination of the two. By treating multiple genetic variants of an individual in a human population as a realization of a stochastic process, the genome of an individual in a chromosome region is a continuum of sequence data rather than discrete observations. The genome of an individual is viewed as a stochastic function that contains both linkage and linkage disequilibrium (LD) information of the genetic markers. By using techniques of functional data analysis, both fixed and mixed effect functional linear models are built to test the association between quantitative traits and genetic variants adjusting for covariates. After extensive simulation analysis, it is shown that the F-distributed tests of the proposed fixed effect functional linear models have higher power than that of sequence kernel association test (SKAT) and its optimal unified test (SKAT-O) for three scenarios in most cases: (1) the causal variants are all rare, (2) the causal variants are both rare and common, and (3) the causal variants are common. The superior performance of the fixed effect functional linear models is most likely due to its optimal utilization of both genetic linkage and LD information of multiple genetic variants in a genome and similarity among different individuals, while SKAT and SKAT-O only model the similarities and pairwise LD but do not model linkage and higher order LD information sufficiently. In addition, the proposed fixed effect models generate accurate type I error rates in simulation studies. We also show that the functional kernel score tests of the proposed mixed effect functional linear models are preferable in candidate gene analysis and small sample problems. The methods are applied to analyze three biochemical traits in data from the Trinity Students Study. © 2013 WILEY
Nitrate Sorption in an Agricultural Soil Profile
Directory of Open Access Journals (Sweden)
Wissem Hamdi
2013-01-01
Full Text Available Increasing concentrations of in surface water and groundwater can cause ecological and public health effects and has come under increased scrutiny by both environmental scientists and regulatory agencies. For many regions though, including the Sahel of Tunisia, little is known about the sorption capacity of soils. In this project we measured sorption by a profile of an iso-humic soil from Chott Meriem, Tunisia. Soil samples were collected from four soil depths (0–25, 25–60, 60–90, and 90–120 cm on 1 June 2011, and their sorption capacity was determined using batch experiments under laboratory conditions. The effects of contact time, the initial concentration, and the soil-solution ratio on sorption were investigated. In general, the results suggested that was weakly retained by the Chott Meriem soil profile. The quantity of sorption increased with depth, contact time, initial concentration, and soil-solution ratios. To evaluate the sorption capacities of the soil samples at concentrations ranging between 25 and 150 mg L−1 experimental data were fitted to both Freundlich and Langmuir isotherm sorption models. The results indicated that Freundlich model was better for describing sorption in this soil profile.
Practical likelihood analysis for spatial generalized linear mixed models
DEFF Research Database (Denmark)
Bonat, W. H.; Ribeiro, Paulo Justiniano
2016-01-01
We investigate an algorithm for maximum likelihood estimation of spatial generalized linear mixed models based on the Laplace approximation. We compare our algorithm with a set of alternative approaches for two datasets from the literature. The Rhizoctonia root rot and the Rongelap are......, respectively, examples of binomial and count datasets modeled by spatial generalized linear mixed models. Our results show that the Laplace approximation provides similar estimates to Markov Chain Monte Carlo likelihood, Monte Carlo expectation maximization, and modified Laplace approximation. Some advantages...... of Laplace approximation include the computation of the maximized log-likelihood value, which can be used for model selection and tests, and the possibility to obtain realistic confidence intervals for model parameters based on profile likelihoods. The Laplace approximation also avoids the tuning...
International Nuclear Information System (INIS)
Saunders, J.A.
1994-10-01
Modeling of mineral precipitation and metal sorption reactions using MINTEQA2 and the iron oxyhydroxide diffuse-layer model has provided insights into geochemical processes governing contaminant migration from low-level radioactive waste disposal sites at the US Department of Energy's Oak Ridge National Laboratory and Y-12 Plant at Oak Ridge, Tennessee. Both acidic and basic nuclear-fuel reprocessing wastes, locally mixed with decontamination solvents, were disposed of in unlined trenches and lagoons. Model results show that as wastes move toward neutral pH due to reactions with surrounding soils and saprolite, mineral precipitation and sorption can limit the solubility of heavy metals and radionuclides. However, observed contaminant levels in monitoring wells indicate that at least locally, wastes are moving in faults and fractures and are not retarded by sorption reactions along such flow paths. Model results also support previous studies that have indicated organic complexing agents used in decontamination procedures can enhance radionuclide and heavy metal solubility when mixed with nuclear fuel reprocessing wastes. However, complex interactions between metal-organic complexes and mineral surfaces and natural organic matter, biodegradation, and fracture flow complicate the interpretation of contaminant mobility
Stochastic modeling of mode interactions via linear parabolized stability equations
Ran, Wei; Zare, Armin; Hack, M. J. Philipp; Jovanovic, Mihailo
2017-11-01
Low-complexity approximations of the Navier-Stokes equations have been widely used in the analysis of wall-bounded shear flows. In particular, the parabolized stability equations (PSE) and Floquet theory have been employed to capture the evolution of primary and secondary instabilities in spatially-evolving flows. We augment linear PSE with Floquet analysis to formally treat modal interactions and the evolution of secondary instabilities in the transitional boundary layer via a linear progression. To this end, we leverage Floquet theory by incorporating the primary instability into the base flow and accounting for different harmonics in the flow state. A stochastic forcing is introduced into the resulting linear dynamics to model the effect of nonlinear interactions on the evolution of modes. We examine the H-type transition scenario to demonstrate how our approach can be used to model nonlinear effects and capture the growth of the fundamental and subharmonic modes observed in direct numerical simulations and experiments.
International Nuclear Information System (INIS)
Gharbieh, Heidar K.; Cota, Stela
2015-01-01
Narrow diameter borehole facilities (a few tens of centimeters), like the BOSS concept developed by the IAEA, provide a safe and cost effective disposal option for radioactive waste and particularly disused sources. The BOSS concept (borehole disposal of sealed radioactive sources) comprises a multi-barrier system of cement grout and stainless steel components. In order to predict the long-time performance of the cement barriers as an input of a future safety assessment under the specific hydrochemical and hydrological conditions, a non-linear degradation model was developed in this work. With the assistance of the program 'PHREEQC' it describes the change of the porosity and the hydraulic conductivity with time, which also let to conclusions concerning the change of the sorption capacity of the cement grout. This work includes the theoretical approach and illustrates the non-liner degradation by means of an exemplary water composition found in the saturated zone and the dimensions of the backfill made of cement grout representing a barrier of the BOSS borehole facility. (author)
Linear modeling of possible mechanisms for parkinson tremor generation
Lohnberg, P.
1978-01-01
The power of Parkinson tremor is expressed in terms of possibly changed frequency response functions between relevant variables in the neuromuscular system. The derivation starts out from a linear loopless equivalent model of mechanisms for general tremor generation. Hypothetical changes in this
Current algebra of classical non-linear sigma models
International Nuclear Information System (INIS)
Forger, M.; Laartz, J.; Schaeper, U.
1992-01-01
The current algebra of classical non-linear sigma models on arbitrary Riemannian manifolds is analyzed. It is found that introducing, in addition to the Noether current j μ associated with the global symmetry of the theory, a composite scalar field j, the algebra closes under Poisson brackets. (orig.)
Mathematical modelling and linear stability analysis of laser fusion cutting
International Nuclear Information System (INIS)
Hermanns, Torsten; Schulz, Wolfgang; Vossen, Georg; Thombansen, Ulrich
2016-01-01
A model for laser fusion cutting is presented and investigated by linear stability analysis in order to study the tendency for dynamic behavior and subsequent ripple formation. The result is a so called stability function that describes the correlation of the setting values of the process and the process’ amount of dynamic behavior.
Non Linear signa models probing the string structure
International Nuclear Information System (INIS)
Abdalla, E.
1987-01-01
The introduction of a term depending on the extrinsic curvature to the string action, and related non linear sigma models defined on a symmetric space SO(D)/SO(2) x SO(d-2) is descussed . Coupling to fermions are also treated. (author) [pt
Confidence Intervals for Assessing Heterogeneity in Generalized Linear Mixed Models
Wagler, Amy E.
2014-01-01
Generalized linear mixed models are frequently applied to data with clustered categorical outcomes. The effect of clustering on the response is often difficult to practically assess partly because it is reported on a scale on which comparisons with regression parameters are difficult to make. This article proposes confidence intervals for…
Penalized Estimation in Large-Scale Generalized Linear Array Models
DEFF Research Database (Denmark)
Lund, Adam; Vincent, Martin; Hansen, Niels Richard
2017-01-01
Large-scale generalized linear array models (GLAMs) can be challenging to fit. Computation and storage of its tensor product design matrix can be impossible due to time and memory constraints, and previously considered design matrix free algorithms do not scale well with the dimension...
Expressions for linearized perturbations in ideal-fluid cosmological models
International Nuclear Information System (INIS)
Ratra, B.
1988-01-01
We present closed-form solutions of the relativistic linear perturbation equations (in synchronous gauge) that govern the evolution of inhomogeneities in homogeneous, spatially flat, ideal-fluid, cosmological models. These expressions, which are valid for irregularities on any scale, allow one to analytically interpolate between the known approximate solutions which are valid at early times and at late times
S-AMP for non-linear observation models
DEFF Research Database (Denmark)
Cakmak, Burak; Winther, Ole; Fleury, Bernard H.
2015-01-01
Recently we presented the S-AMP approach, an extension of approximate message passing (AMP), to be able to handle general invariant matrix ensembles. In this contribution we extend S-AMP to non-linear observation models. We obtain generalized AMP (GAMP) as the special case when the measurement...
Plane answers to complex questions the theory of linear models
Christensen, Ronald
1987-01-01
This book was written to rigorously illustrate the practical application of the projective approach to linear models. To some, this may seem contradictory. I contend that it is possible to be both rigorous and illustrative and that it is possible to use the projective approach in practical applications. Therefore, unlike many other books on linear models, the use of projections and sub spaces does not stop after the general theory. They are used wherever I could figure out how to do it. Solving normal equations and using calculus (outside of maximum likelihood theory) are anathema to me. This is because I do not believe that they contribute to the understanding of linear models. I have similar feelings about the use of side conditions. Such topics are mentioned when appropriate and thenceforward avoided like the plague. On the other side of the coin, I just as strenuously reject teaching linear models with a coordinate free approach. Although Joe Eaton assures me that the issues in complicated problems freq...
A simulation model of a coordinated decentralized linear supply chain
Ashayeri, Jalal; Cannella, S.; Lopez Campos, M.; Miranda, P.A.
2015-01-01
This paper presents a simulation-based study of a coordinated, decentralized linear supply chain (SC) system. In the proposed model, any supply tier considers its successors as part of its inventory system and generates replenishment orders on the basis of its partners’ operational information. We
Mathematical modelling and linear stability analysis of laser fusion cutting
Energy Technology Data Exchange (ETDEWEB)
Hermanns, Torsten; Schulz, Wolfgang [RWTH Aachen University, Chair for Nonlinear Dynamics, Steinbachstr. 15, 52047 Aachen (Germany); Vossen, Georg [Niederrhein University of Applied Sciences, Chair for Applied Mathematics and Numerical Simulations, Reinarzstr.. 49, 47805 Krefeld (Germany); Thombansen, Ulrich [RWTH Aachen University, Chair for Laser Technology, Steinbachstr. 15, 52047 Aachen (Germany)
2016-06-08
A model for laser fusion cutting is presented and investigated by linear stability analysis in order to study the tendency for dynamic behavior and subsequent ripple formation. The result is a so called stability function that describes the correlation of the setting values of the process and the process’ amount of dynamic behavior.
Performances Of Estimators Of Linear Models With Autocorrelated ...
African Journals Online (AJOL)
The performances of five estimators of linear models with Autocorrelated error terms are compared when the independent variable is autoregressive. The results reveal that the properties of the estimators when the sample size is finite is quite similar to the properties of the estimators when the sample size is infinite although ...
Performances of estimators of linear auto-correlated error model ...
African Journals Online (AJOL)
The performances of five estimators of linear models with autocorrelated disturbance terms are compared when the independent variable is exponential. The results reveal that for both small and large samples, the Ordinary Least Squares (OLS) compares favourably with the Generalized least Squares (GLS) estimators in ...
A non-linear dissipative model of magnetism
Czech Academy of Sciences Publication Activity Database
Durand, P.; Paidarová, Ivana
2010-01-01
Roč. 89, č. 6 (2010), s. 67004 ISSN 1286-4854 R&D Projects: GA AV ČR IAA100400501 Institutional research plan: CEZ:AV0Z40400503 Keywords : non-linear dissipative model of magnetism * thermodynamics * physical chemistry Subject RIV: CF - Physical ; Theoretical Chemistry http://epljournal.edpsciences.org/
Modeling and verifying non-linearities in heterodyne displacement interferometry
Cosijns, S.J.A.G.; Haitjema, H.; Schellekens, P.H.J.
2002-01-01
The non-linearities in a heterodyne laser interferometer system occurring from the phase measurement system of the interferometer andfrom non-ideal polarization effects of the optics are modeled into one analytical expression which includes the initial polarization state ofthe laser source, the
DEFF Research Database (Denmark)
Holst, René; Jørgensen, Bent
2015-01-01
The paper proposes a versatile class of multiplicative generalized linear longitudinal mixed models (GLLMM) with additive dispersion components, based on explicit modelling of the covariance structure. The class incorporates a longitudinal structure into the random effects models and retains...... a marginal as well as a conditional interpretation. The estimation procedure is based on a computationally efficient quasi-score method for the regression parameters combined with a REML-like bias-corrected Pearson estimating function for the dispersion and correlation parameters. This avoids...... the multidimensional integral of the conventional GLMM likelihood and allows an extension of the robust empirical sandwich estimator for use with both association and regression parameters. The method is applied to a set of otholit data, used for age determination of fish....
Identifiability Results for Several Classes of Linear Compartment Models.
Meshkat, Nicolette; Sullivant, Seth; Eisenberg, Marisa
2015-08-01
Identifiability concerns finding which unknown parameters of a model can be estimated, uniquely or otherwise, from given input-output data. If some subset of the parameters of a model cannot be determined given input-output data, then we say the model is unidentifiable. In this work, we study linear compartment models, which are a class of biological models commonly used in pharmacokinetics, physiology, and ecology. In past work, we used commutative algebra and graph theory to identify a class of linear compartment models that we call identifiable cycle models, which are unidentifiable but have the simplest possible identifiable functions (so-called monomial cycles). Here we show how to modify identifiable cycle models by adding inputs, adding outputs, or removing leaks, in such a way that we obtain an identifiable model. We also prove a constructive result on how to combine identifiable models, each corresponding to strongly connected graphs, into a larger identifiable model. We apply these theoretical results to several real-world biological models from physiology, cell biology, and ecology.
Sorption and migration of neptunium in porous sedimentary materials
International Nuclear Information System (INIS)
Tanaka, Tadao; Mukai, Masayuki; Nakayama, Shinichi
2005-01-01
Column migration experiments of neptunium were conducted for porous sedimentary materials: coastal sand, tuffaceous sand, ando soil, reddish soil, yellowish soil and loess, and migration behavior, sorption mechanisms and chemical formation of Np were investigated. The migration behavior of Np in each material was much different each other, due to chemical formation in solution and/or sorption mechanism of Np. Mathematical models of different concepts were applied to the experimental results to interpret the sorption mechanism and the migration behavior. It can be concluded that both of instantaneous equilibrium sorption and sorption-desorption kinetics have to be considered to model the Np migration in sedimentary materials. (author)
Finite element modeling of nanotube structures linear and non-linear models
Awang, Mokhtar; Muhammad, Ibrahim Dauda
2016-01-01
This book presents a new approach to modeling carbon structures such as graphene and carbon nanotubes using finite element methods, and addresses the latest advances in numerical studies for these materials. Based on the available findings, the book develops an effective finite element approach for modeling the structure and the deformation of grapheme-based materials. Further, modeling processing for single-walled and multi-walled carbon nanotubes is demonstrated in detail.
Linear Dynamics Model for Steam Cooled Fast Power Reactors
Energy Technology Data Exchange (ETDEWEB)
Vollmer, H
1968-04-15
A linear analytical dynamic model is developed for steam cooled fast power reactors. All main components of such a plant are investigated on a general though relatively simple basis. The model is distributed in those parts concerning the core but lumped as to the external plant components. Coolant is considered as compressible and treated by the actual steam law. Combined use of analogue and digital computer seems most attractive.
Deterministic operations research models and methods in linear optimization
Rader, David J
2013-01-01
Uniquely blends mathematical theory and algorithm design for understanding and modeling real-world problems Optimization modeling and algorithms are key components to problem-solving across various fields of research, from operations research and mathematics to computer science and engineering. Addressing the importance of the algorithm design process. Deterministic Operations Research focuses on the design of solution methods for both continuous and discrete linear optimization problems. The result is a clear-cut resource for understanding three cornerstones of deterministic operations resear
One-loop dimensional reduction of the linear σ model
International Nuclear Information System (INIS)
Malbouisson, A.P.C.; Silva-Neto, M.B.; Svaiter, N.F.
1997-05-01
We perform the dimensional reduction of the linear σ model at one-loop level. The effective of the reduced theory obtained from the integration over the nonzero Matsubara frequencies is exhibited. Thermal mass and coupling constant renormalization constants are given, as well as the thermal renormalization group which controls the dependence of the counterterms on the temperature. We also recover, for the reduced theory, the vacuum instability of the model for large N. (author)
Artificial Neural Network versus Linear Models Forecasting Doha Stock Market
Yousif, Adil; Elfaki, Faiz
2017-12-01
The purpose of this study is to determine the instability of Doha stock market and develop forecasting models. Linear time series models are used and compared with a nonlinear Artificial Neural Network (ANN) namely Multilayer Perceptron (MLP) Technique. It aims to establish the best useful model based on daily and monthly data which are collected from Qatar exchange for the period starting from January 2007 to January 2015. Proposed models are for the general index of Qatar stock exchange and also for the usages in other several sectors. With the help of these models, Doha stock market index and other various sectors were predicted. The study was conducted by using various time series techniques to study and analyze data trend in producing appropriate results. After applying several models, such as: Quadratic trend model, double exponential smoothing model, and ARIMA, it was concluded that ARIMA (2,2) was the most suitable linear model for the daily general index. However, ANN model was found to be more accurate than time series models.
A linearized dispersion relation for orthorhombic pseudo-acoustic modeling
Song, Xiaolei; Alkhalifah, Tariq Ali
2012-01-01
Wavefield extrapolation in acoustic orthorhombic anisotropic media suffers from wave-mode coupling and stability limitations in the parameter range. We introduce a linearized form of the dispersion relation for acoustic orthorhombic media to model acoustic wavefields. We apply the lowrank approximation approach to handle the corresponding space-wavenumber mixed-domain operator. Numerical experiments show that the proposed wavefield extrapolator is accurate and practically free of dispersions. Further, there is no coupling of qSv and qP waves, because we use the analytical dispersion relation. No constraints on Thomsen's parameters are required for stability. The linearized expression may provide useful application for parameter estimation in orthorhombic media.
Briones, Rowena M; Sarmah, Ajit K
2018-07-15
Detection of metformin, an antidiabetic drug and its transformation product guanylurea in various environmental matrices such as surface water and groundwater, coupled with their effects on aquatic organisms warrant an understanding of the compounds fate and behaviour in the environment. Batch studies were conducted with the aim of evaluating the sorption of these two emerging contaminants in six New Zealand agricultural soils of contrasting physico-chemical properties. Kinetic studies revealed that metformin and guanylurea sorption in Te Kowhai soil was very rapid initially achieving 90% sorption within the first 4 and 13h, respectively. Fit of several isotherm models to the measured batch sorption data showed that the hybrid models Langmuir-Freundlich and Redlich-Peterson best described the isotherms. Freundlich isotherm showed higher linearity for guanylurea (n F =0.58-0.93) in all soils compared to metformin (n F =0.25-0.71). A linear isotherm was fitted at environmentally relevant low concentrations (< 3mg/L) of target compounds and calculated values of sorption distribution coefficient (K d ) were in the range of 8.97 to 53.49L/kg for metformin and between 10.6 and 37.51L/kg for guanylurea. Sorption of both metformin and guanylurea was dependent on the soil characteristics, however, no generalisation could be made as to which had higher affinity to soils studied. Pearson's correlation and multiple regression analyses indicate that Si/Al (p=0.042) and clay (p=0.015) significantly influenced metformin K d values, whereas the soil's cation exchange capacity (p=0.024) is the single most significant factor determining guanylurea sorption in soils. It is likely that the type of minerals present in soils and its ion-exchange capacity could play an important role in metformin and guanylurea sorption, respectively. Copyright © 2018. Published by Elsevier B.V.
Non-linear sigma model on the fuzzy supersphere
International Nuclear Information System (INIS)
Kurkcuoglu, Seckin
2004-01-01
In this note we develop fuzzy versions of the supersymmetric non-linear sigma model on the supersphere S (2,2) . In hep-th/0212133 Bott projectors have been used to obtain the fuzzy C P 1 model. Our approach utilizes the use of supersymmetric extensions of these projectors. Here we obtain these (super)-projectors and quantize them in a fashion similar to the one given in hep-th/0212133. We discuss the interpretation of the resulting model as a finite dimensional matrix model. (author)
Sorption of uranyl ions on hydrous oxides
International Nuclear Information System (INIS)
Gupta, A.R.; Venkataramani, B.
1988-01-01
Sorption of uranyl ions on hydrous titanium oxide (HTiO), magnetite (MAG), and hydrous thorium oxide (HThO) has been studied as a function of pH. Hydrous oxides have been characterized by their pH-titration curves, intrinsic dissociation constants (pK ai * ) and point of zero charge (pH pzc ). The fraction of protonated surface hydroxyl groups as well as the surface pH (pH surf ) as a function of solution pH have been computed. The distribution of various hydrolyzed species of uranyl ions with solution pH have been compared with uranyl sorption isotherm on these oxides. Sorption edge in all the cases occurs when free hydroxyl groups are available on the surface and pH surf is sufficiently high to favor the formation of dimer-like species on the surface. A new model for the sorption process, called surface hydrolysis model, which explains these and other features of uranyl sorption on hydrous oxides has been proposed. The model visualizes the sorption process as linking of uranyl ions with two adjacent free surface hydroxyl groups without deprotonation (provided the surface pH is high for the hydrolysis of uranyl ions) and formation of dimer-like structures on the surface. The new model has been successfully applied to the present and other available data on uranyl ion sorption on hydrous oxides. (author)
Optimal difference-based estimation for partially linear models
Zhou, Yuejin; Cheng, Yebin; Dai, Wenlin; Tong, Tiejun
2017-01-01
Difference-based methods have attracted increasing attention for analyzing partially linear models in the recent literature. In this paper, we first propose to solve the optimal sequence selection problem in difference-based estimation for the linear component. To achieve the goal, a family of new sequences and a cross-validation method for selecting the adaptive sequence are proposed. We demonstrate that the existing sequences are only extreme cases in the proposed family. Secondly, we propose a new estimator for the residual variance by fitting a linear regression method to some difference-based estimators. Our proposed estimator achieves the asymptotic optimal rate of mean squared error. Simulation studies also demonstrate that our proposed estimator performs better than the existing estimator, especially when the sample size is small and the nonparametric function is rough.
Modeling and analysis of linear hyperbolic systems of balance laws
Bartecki, Krzysztof
2016-01-01
This monograph focuses on the mathematical modeling of distributed parameter systems in which mass/energy transport or wave propagation phenomena occur and which are described by partial differential equations of hyperbolic type. The case of linear (or linearized) 2 x 2 hyperbolic systems of balance laws is considered, i.e., systems described by two coupled linear partial differential equations with two variables representing physical quantities, depending on both time and one-dimensional spatial variable. Based on practical examples of a double-pipe heat exchanger and a transportation pipeline, two typical configurations of boundary input signals are analyzed: collocated, wherein both signals affect the system at the same spatial point, and anti-collocated, in which the input signals are applied to the two different end points of the system. The results of this book emerge from the practical experience of the author gained during his studies conducted in the experimental installation of a heat exchange cente...
Optimal difference-based estimation for partially linear models
Zhou, Yuejin
2017-12-16
Difference-based methods have attracted increasing attention for analyzing partially linear models in the recent literature. In this paper, we first propose to solve the optimal sequence selection problem in difference-based estimation for the linear component. To achieve the goal, a family of new sequences and a cross-validation method for selecting the adaptive sequence are proposed. We demonstrate that the existing sequences are only extreme cases in the proposed family. Secondly, we propose a new estimator for the residual variance by fitting a linear regression method to some difference-based estimators. Our proposed estimator achieves the asymptotic optimal rate of mean squared error. Simulation studies also demonstrate that our proposed estimator performs better than the existing estimator, especially when the sample size is small and the nonparametric function is rough.
Sorption of Heterocyclic Organic Compounds to Multiwalled Carbon Nanotubes.
Metzelder, Florian; Funck, Matin; Schmidt, Torsten C
2018-01-16
Sorption is an important natural and technical process. Sorption coefficients are typically determined in batch experiments, but this may be challenging for weakly sorbing compounds. An alternative method enabling analysis of those compounds is column chromatography. A column packed with the sorbent is used and sorption data are determined by relating sorbate retention to that of a nonretarded tracer. In this study, column chromatography was applied for the first time to study sorption of previously hardly investigated heterocyclic organic compounds to multiwalled carbon nanotubes (MWCNTs). Sorption data for these compounds are very limited in literature, and weak sorption is expected from predictions. Deuterium oxide was used as nonretarded tracer. Sorption isotherms were well described by the Freundlich model and data showed reasonable agreement with predicted values. Sorption was exothermic and physisorption was observed. H-bonding may contribute to overall sorption, which is supported by reduced sorption with increasing ionic strength due to blocking of functional groups. Lowering pH reduced sorption of ionizable compounds, due to electrostatic repulsion at pH 3 where sorbent as well as sorbates were positively charged. Overall, column chromatography was successfully used to study sorption of heterocyclic compounds to MWCNTs and could be applied for other carbon-based sorbents.
A penalized framework for distributed lag non-linear models.
Gasparrini, Antonio; Scheipl, Fabian; Armstrong, Ben; Kenward, Michael G
2017-09-01
Distributed lag non-linear models (DLNMs) are a modelling tool for describing potentially non-linear and delayed dependencies. Here, we illustrate an extension of the DLNM framework through the use of penalized splines within generalized additive models (GAM). This extension offers built-in model selection procedures and the possibility of accommodating assumptions on the shape of the lag structure through specific penalties. In addition, this framework includes, as special cases, simpler models previously proposed for linear relationships (DLMs). Alternative versions of penalized DLNMs are compared with each other and with the standard unpenalized version in a simulation study. Results show that this penalized extension to the DLNM class provides greater flexibility and improved inferential properties. The framework exploits recent theoretical developments of GAMs and is implemented using efficient routines within freely available software. Real-data applications are illustrated through two reproducible examples in time series and survival analysis. © 2017 The Authors Biometrics published by Wiley Periodicals, Inc. on behalf of International Biometric Society.
General mirror pairs for gauged linear sigma models
Energy Technology Data Exchange (ETDEWEB)
Aspinwall, Paul S.; Plesser, M. Ronen [Departments of Mathematics and Physics, Duke University,Box 90320, Durham, NC 27708-0320 (United States)
2015-11-05
We carefully analyze the conditions for an abelian gauged linear σ-model to exhibit nontrivial IR behavior described by a nonsingular superconformal field theory determining a superstring vacuum. This is done without reference to a geometric phase, by associating singular behavior to a noncompact space of (semi-)classical vacua. We find that models determined by reflexive combinatorial data are nonsingular for generic values of their parameters. This condition has the pleasant feature that the mirror of a nonsingular gauged linear σ-model is another such model, but it is clearly too strong and we provide an example of a non-reflexive mirror pair. We discuss a weaker condition inspired by considering extremal transitions, which is also mirror symmetric and which we conjecture to be sufficient. We apply these ideas to extremal transitions and to understanding the way in which both Berglund-Hübsch mirror symmetry and the Vafa-Witten mirror orbifold with discrete torsion can be seen as special cases of the general combinatorial duality of gauged linear σ-models. In the former case we encounter an example showing that our weaker condition is still not necessary.
General mirror pairs for gauged linear sigma models
International Nuclear Information System (INIS)
Aspinwall, Paul S.; Plesser, M. Ronen
2015-01-01
We carefully analyze the conditions for an abelian gauged linear σ-model to exhibit nontrivial IR behavior described by a nonsingular superconformal field theory determining a superstring vacuum. This is done without reference to a geometric phase, by associating singular behavior to a noncompact space of (semi-)classical vacua. We find that models determined by reflexive combinatorial data are nonsingular for generic values of their parameters. This condition has the pleasant feature that the mirror of a nonsingular gauged linear σ-model is another such model, but it is clearly too strong and we provide an example of a non-reflexive mirror pair. We discuss a weaker condition inspired by considering extremal transitions, which is also mirror symmetric and which we conjecture to be sufficient. We apply these ideas to extremal transitions and to understanding the way in which both Berglund-Hübsch mirror symmetry and the Vafa-Witten mirror orbifold with discrete torsion can be seen as special cases of the general combinatorial duality of gauged linear σ-models. In the former case we encounter an example showing that our weaker condition is still not necessary.
Robust Linear Models for Cis-eQTL Analysis.
Rantalainen, Mattias; Lindgren, Cecilia M; Holmes, Christopher C
2015-01-01
Expression Quantitative Trait Loci (eQTL) analysis enables characterisation of functional genetic variation influencing expression levels of individual genes. In outbread populations, including humans, eQTLs are commonly analysed using the conventional linear model, adjusting for relevant covariates, assuming an allelic dosage model and a Gaussian error term. However, gene expression data generally have noise that induces heavy-tailed errors relative to the Gaussian distribution and often include atypical observations, or outliers. Such departures from modelling assumptions can lead to an increased rate of type II errors (false negatives), and to some extent also type I errors (false positives). Careful model checking can reduce the risk of type-I errors but often not type II errors, since it is generally too time-consuming to carefully check all models with a non-significant effect in large-scale and genome-wide studies. Here we propose the application of a robust linear model for eQTL analysis to reduce adverse effects of deviations from the assumption of Gaussian residuals. We present results from a simulation study as well as results from the analysis of real eQTL data sets. Our findings suggest that in many situations robust models have the potential to provide more reliable eQTL results compared to conventional linear models, particularly in respect to reducing type II errors due to non-Gaussian noise. Post-genomic data, such as that generated in genome-wide eQTL studies, are often noisy and frequently contain atypical observations. Robust statistical models have the potential to provide more reliable results and increased statistical power under non-Gaussian conditions. The results presented here suggest that robust models should be considered routinely alongside other commonly used methodologies for eQTL analysis.
Sorption behavior of nonylphenol (NP) on sewage-irrigated soil: Kinetic and thermodynamic studies
International Nuclear Information System (INIS)
Liao, Xiaoping; Zhang, Caixiang; Yao, Linlin; Li, Jiale; Liu, Min; Xu, Liang; Evalde, Mulindankaka
2014-01-01
The reuse of wastewater for irrigation of agricultural land is a well established resources management practice but has the disadvantage of inputting various forms of contaminants into the terrestrial environment including nonylphenol (NP), a well known endocrine disrupting substance. To elucidate the environmental fate and transport of NP, the sorption behavior on sewage-irrigated soil was studied by batch experiment. It was found that sorption processes of NP on different sorbents (soil, humic acid (HA) and silica) could be expressed well using two compartment pseudo first-order model, where both surface and intra-particle diffusion were probable rate-controlling processes. Linear model could better express the sorption of NP on soil, black carbon (BC) and mineral (e.g., SiO 2 ) except HA than Freundlich model. The large value of distribution coefficients of normalized organic carbon (K oc ) on soils indicated that NP was limited to migrate to deep soil. The higher desorption partition coefficient of NP on soil showed enhanced hysteresis. According to the experimental data, the calculated thermodynamic parameters implied that the sorption reaction on sewage-irrigation was spontaneous, exothermic and entropy decreasing process. The amount of soil organic matter (SOM) dominated the sorption capacity, whereas the sorption behavior of NP on soil showed no significant correlation with ionic strength. - Highlights: • Both surface and intra-particle diffusion were rate-controlling processes. • Soil composition influences the partition activity of NP. • Soil organic matter has dominated the sorption capacity of NP on soil. • NP molecule was limited to migrate to deep soil in sewage-irrigated area
International Nuclear Information System (INIS)
Choi, Hyeok; Al-Abed, Souhail R.
2009-01-01
Sorption of polychlorinated biphenyls (PCBs) to sediment is a key process in determining their mobility, bioavailability, and chemical decomposition in aquatic environments. In order to examine the validity of currently used interpretation approaches for PCBs sorption, comparative results on 2-chlorobiphenyl sorption to carbonaceous components in sediments (activated carbon, carbon black, coal, soot, graphite, flyash, wood) were macroscopically correlated with the structural, morphological, crystallographic, and compositional properties of the carbonaceous components. Since the Freundlich sorption constant, K F (L kg -1 ) spanned several orders of magnitude, ranging from log K F of 6.13-5.27 for activated carbon, 5.04 for carbon black, 3.83 for coal to 3.08 for wood, organic carbon partitioning approach should be more specifically categorized, considering the various forms, nature and origins of organic carbon in sediment. Sorption rate constants and fraction parameters, which were numerically defined from empirical kinetic model with fast and slow sorption fractions, were closely related to the physicochemical properties of the carbonaceous components. Sorption interpretation approaches with a specific property and viewpoint, such as organic carbon partitioning, soot carbon distribution, or surface area correlation, did not properly explain the overall results on sorption capacity, fast and slow sorption kinetics, and partitioning coefficient. It is also important to emphasize the heterogeneous nature of sediment and the difficulties of encompassing the partitioning among its carbonaceous components.
Energy Technology Data Exchange (ETDEWEB)
Choi, Hyeok [National Risk Management Research Laboratory, U.S. Environmental Protection Agency, 26 West Martin Luther King Drive, Cincinnati, OH 45268 (United States); Al-Abed, Souhail R., E-mail: al-abed.souhail@epa.gov [National Risk Management Research Laboratory, U.S. Environmental Protection Agency, 26 West Martin Luther King Drive, Cincinnati, OH 45268 (United States)
2009-06-15
Sorption of polychlorinated biphenyls (PCBs) to sediment is a key process in determining their mobility, bioavailability, and chemical decomposition in aquatic environments. In order to examine the validity of currently used interpretation approaches for PCBs sorption, comparative results on 2-chlorobiphenyl sorption to carbonaceous components in sediments (activated carbon, carbon black, coal, soot, graphite, flyash, wood) were macroscopically correlated with the structural, morphological, crystallographic, and compositional properties of the carbonaceous components. Since the Freundlich sorption constant, K{sub F} (L kg{sup -1}) spanned several orders of magnitude, ranging from log K{sub F} of 6.13-5.27 for activated carbon, 5.04 for carbon black, 3.83 for coal to 3.08 for wood, organic carbon partitioning approach should be more specifically categorized, considering the various forms, nature and origins of organic carbon in sediment. Sorption rate constants and fraction parameters, which were numerically defined from empirical kinetic model with fast and slow sorption fractions, were closely related to the physicochemical properties of the carbonaceous components. Sorption interpretation approaches with a specific property and viewpoint, such as organic carbon partitioning, soot carbon distribution, or surface area correlation, did not properly explain the overall results on sorption capacity, fast and slow sorption kinetics, and partitioning coefficient. It is also important to emphasize the heterogeneous nature of sediment and the difficulties of encompassing the partitioning among its carbonaceous components.
Unified model for sorption, sequestration and degradation in soils and sediments
DEFF Research Database (Denmark)
Trapp, Stefan; Mayer, P. M.; Rein, Arno
2011-01-01
The objective of this study is to combine ad/desorption models for organic compounds with the growth and degradation kinetics of microbes in a mathematical simulation model. The goal is to interpret and predict observed effects, such as increasing persistence with time, decreasing degradation rat...
Linear models for joint association and linkage QTL mapping
Directory of Open Access Journals (Sweden)
Fernando Rohan L
2009-09-01
Full Text Available Abstract Background Populational linkage disequilibrium and within-family linkage are commonly used for QTL mapping and marker assisted selection. The combination of both results in more robust and accurate locations of the QTL, but models proposed so far have been either single marker, complex in practice or well fit to a particular family structure. Results We herein present linear model theory to come up with additive effects of the QTL alleles in any member of a general pedigree, conditional to observed markers and pedigree, accounting for possible linkage disequilibrium among QTLs and markers. The model is based on association analysis in the founders; further, the additive effect of the QTLs transmitted to the descendants is a weighted (by the probabilities of transmission average of the substitution effects of founders' haplotypes. The model allows for non-complete linkage disequilibrium QTL-markers in the founders. Two submodels are presented: a simple and easy to implement Haley-Knott type regression for half-sib families, and a general mixed (variance component model for general pedigrees. The model can use information from all markers. The performance of the regression method is compared by simulation with a more complex IBD method by Meuwissen and Goddard. Numerical examples are provided. Conclusion The linear model theory provides a useful framework for QTL mapping with dense marker maps. Results show similar accuracies but a bias of the IBD method towards the center of the region. Computations for the linear regression model are extremely simple, in contrast with IBD methods. Extensions of the model to genomic selection and multi-QTL mapping are straightforward.
A Graphical User Interface to Generalized Linear Models in MATLAB
Directory of Open Access Journals (Sweden)
Peter Dunn
1999-07-01
Full Text Available Generalized linear models unite a wide variety of statistical models in a common theoretical framework. This paper discusses GLMLAB-software that enables such models to be fitted in the popular mathematical package MATLAB. It provides a graphical user interface to the powerful MATLAB computational engine to produce a program that is easy to use but with many features, including offsets, prior weights and user-defined distributions and link functions. MATLAB's graphical capacities are also utilized in providing a number of simple residual diagnostic plots.
MAGDM linear-programming models with distinct uncertain preference structures.
Xu, Zeshui S; Chen, Jian
2008-10-01
Group decision making with preference information on alternatives is an interesting and important research topic which has been receiving more and more attention in recent years. The purpose of this paper is to investigate multiple-attribute group decision-making (MAGDM) problems with distinct uncertain preference structures. We develop some linear-programming models for dealing with the MAGDM problems, where the information about attribute weights is incomplete, and the decision makers have their preferences on alternatives. The provided preference information can be represented in the following three distinct uncertain preference structures: 1) interval utility values; 2) interval fuzzy preference relations; and 3) interval multiplicative preference relations. We first establish some linear-programming models based on decision matrix and each of the distinct uncertain preference structures and, then, develop some linear-programming models to integrate all three structures of subjective uncertain preference information provided by the decision makers and the objective information depicted in the decision matrix. Furthermore, we propose a simple and straightforward approach in ranking and selecting the given alternatives. It is worth pointing out that the developed models can also be used to deal with the situations where the three distinct uncertain preference structures are reduced to the traditional ones, i.e., utility values, fuzzy preference relations, and multiplicative preference relations. Finally, we use a practical example to illustrate in detail the calculation process of the developed approach.
Radionuclide sorption on crushed and intact granitic rock
International Nuclear Information System (INIS)
Eriksen, Tryggve E.; Locklund, Birgitta
1989-05-01
The specific surface areas and distribution ratios for sorption of 85 Sr, 137 Cs and 152 Eu were measured for crushed and intact granite rock. The experimental data can be accommodated by a sorption model encompassing sorption on outer and inner surface. It is clearly demonstrated that the time required to obtain reliable Kd-values for the sorption of strongly sorbing radionuclides like 152 Eu is very long due to solution depletion and slow diffusion into the rock. A combination of surface area measurements and batch sorption with small particles may therefore be preferable when studying strongly sorbing nuclides. (authors) (17 figs., 6 tabs.)
Effect of humic substances on P sorption capacity of three different soils
Delgado, Antonio
2010-05-01
Organic matter decreases P sorption by soils. It has been demonstrated the effect of low molecular weight compounds decreasing P adsorption on active surfaces and the effect of humic and fulvic acids inhibiting the precipitation of hydroxyapatite and favouring the formation of more soluble phosphates. This contributes to increase the recovery of applied P fertilizer. The objective of this work was to study the effect of 4 different humic substances (commercially available and provided by Tradecorp Internacional S.A.) on the sorption capacity of three soils differing widely in chemical properties (two calcareous from south Spain, pH 8 and 8.5, and other acidic from Brazil, pH 5.9 and 50 % of exchangeable basic cations). To this end, sorption isotherms were performed at a soil:0.01 M CaCl2 ratio of 1:10 at 6, 30 and 90 days. 2.5 mg of humic substances per g of soil were added to the solution. Data were fitted to the best model and linearized sorption curves for each humic substance were compared with the linearized sorption curve for the control without humic substances application (intersection point and slopes). Soil from Brazil showed a much higher sorption capacity (400 mg P kg-1 soil sorbed at 1 mg L-1 of P in the solution at 1 day) than the other two soils (50 and 100 mg P kg-1). Slow reactions significantly contributed to P sorption in the three soils, amounts sorbed at 90 days being twice than those sorbed at 1 day. Two of the products increased P sorption in the soil from Brazil at 1 day. At 90 days all the products increased P sorption significantly. This increased P sorption can be only explained by metal complexation by the substances applied, which may result in organo-metallic compounds with a high P sorption capacity. This effect was independent of the proportion of humic and fulvic acids in the applied products because the amounts of metal complexed by these compouds depend on the amount of functional groups to coordinate with metals. In the Spanish
U.S. Environmental Protection Agency — The data presented in this data file is a product of a journal publication. The dataset contains measured and model predicted OPFRs gas-phase and surface-phase...
DEFF Research Database (Denmark)
Kooths, Stefan; Mitze, Timo Friedel; Ringhut, Eric
2004-01-01
This paper compares the predictive power of linear econometric and non-linear computational models for forecasting the inflation rate in the European Monetary Union (EMU). Various models of both types are developed using different monetary and real activity indicators. They are compared according...
Modelling of Asphalt Concrete Stiffness in the Linear Viscoelastic Region
Mazurek, Grzegorz; Iwański, Marek
2017-10-01
Stiffness modulus is a fundamental parameter used in the modelling of the viscoelastic behaviour of bituminous mixtures. On the basis of the master curve in the linear viscoelasticity range, the mechanical properties of asphalt concrete at different loading times and temperatures can be predicted. This paper discusses the construction of master curves under rheological mathematical models i.e. the sigmoidal function model (MEPDG), the fractional model, and Bahia and co-workers’ model in comparison to the results from mechanistic rheological models i.e. the generalized Huet-Sayegh model, the generalized Maxwell model and the Burgers model. For the purposes of this analysis, the reference asphalt concrete mix (denoted as AC16W) intended for the binder coarse layer and for traffic category KR3 (5×105 controlled strain mode. The fixed strain level was set at 25με to guarantee that the stiffness modulus of the asphalt concrete would be tested in a linear viscoelasticity range. The master curve was formed using the time-temperature superposition principle (TTSP). The stiffness modulus of asphalt concrete was determined at temperatures 10°C, 20°C and 40°C and at loading times (frequency) of 0.1, 0.3, 1, 3, 10, 20 Hz. The model parameters were fitted to the rheological models using the original programs based on the nonlinear least squares sum method. All the rheological models under analysis were found to be capable of predicting changes in the stiffness modulus of the reference asphalt concrete to satisfactory accuracy. In the cases of the fractional model and the generalized Maxwell model, their accuracy depends on a number of elements in series. The best fit was registered for Bahia and co-workers model, generalized Maxwell model and fractional model. As for predicting the phase angle parameter, the largest discrepancies between experimental and modelled results were obtained using the fractional model. Except the Burgers model, the model matching quality was
A Non-Gaussian Spatial Generalized Linear Latent Variable Model
Irincheeva, Irina
2012-08-03
We consider a spatial generalized linear latent variable model with and without normality distributional assumption on the latent variables. When the latent variables are assumed to be multivariate normal, we apply a Laplace approximation. To relax the assumption of marginal normality in favor of a mixture of normals, we construct a multivariate density with Gaussian spatial dependence and given multivariate margins. We use the pairwise likelihood to estimate the corresponding spatial generalized linear latent variable model. The properties of the resulting estimators are explored by simulations. In the analysis of an air pollution data set the proposed methodology uncovers weather conditions to be a more important source of variability than air pollution in explaining all the causes of non-accidental mortality excluding accidents. © 2012 International Biometric Society.
Linear Model for Optimal Distributed Generation Size Predication
Directory of Open Access Journals (Sweden)
Ahmed Al Ameri
2017-01-01
Full Text Available This article presents a linear model predicting optimal size of Distributed Generation (DG that addresses the minimum power loss. This method is based fundamentally on strong coupling between active power and voltage angle as well as between reactive power and voltage magnitudes. This paper proposes simplified method to calculate the total power losses in electrical grid for different distributed generation sizes and locations. The method has been implemented and tested on several IEEE bus test systems. The results show that the proposed method is capable of predicting approximate optimal size of DG when compared with precision calculations. The method that linearizes a complex model showed a good result, which can actually reduce processing time required. The acceptable accuracy with less time and memory required can help the grid operator to assess power system integrated within large-scale distribution generation.
A non-linear model of economic production processes
Ponzi, A.; Yasutomi, A.; Kaneko, K.
2003-06-01
We present a new two phase model of economic production processes which is a non-linear dynamical version of von Neumann's neoclassical model of production, including a market price-setting phase as well as a production phase. The rate of an economic production process is observed, for the first time, to depend on the minimum of its input supplies. This creates highly non-linear supply and demand dynamics. By numerical simulation, production networks are shown to become unstable when the ratio of different products to total processes increases. This provides some insight into observed stability of competitive capitalist economies in comparison to monopolistic economies. Capitalist economies are also shown to have low unemployment.
A Non-Gaussian Spatial Generalized Linear Latent Variable Model
Irincheeva, Irina; Cantoni, Eva; Genton, Marc G.
2012-01-01
We consider a spatial generalized linear latent variable model with and without normality distributional assumption on the latent variables. When the latent variables are assumed to be multivariate normal, we apply a Laplace approximation. To relax the assumption of marginal normality in favor of a mixture of normals, we construct a multivariate density with Gaussian spatial dependence and given multivariate margins. We use the pairwise likelihood to estimate the corresponding spatial generalized linear latent variable model. The properties of the resulting estimators are explored by simulations. In the analysis of an air pollution data set the proposed methodology uncovers weather conditions to be a more important source of variability than air pollution in explaining all the causes of non-accidental mortality excluding accidents. © 2012 International Biometric Society.
NON-LINEAR FINITE ELEMENT MODELING OF DEEP DRAWING PROCESS
Directory of Open Access Journals (Sweden)
Hasan YILDIZ
2004-03-01
Full Text Available Deep drawing process is one of the main procedures used in different branches of industry. Finding numerical solutions for determination of the mechanical behaviour of this process will save time and money. In die surfaces, which have complex geometries, it is hard to determine the effects of parameters of sheet metal forming. Some of these parameters are wrinkling, tearing, and determination of the flow of the thin sheet metal in the die and thickness change. However, the most difficult one is determination of material properties during plastic deformation. In this study, the effects of all these parameters are analyzed before producing the dies. The explicit non-linear finite element method is chosen to be used in the analysis. The numerical results obtained for non-linear material and contact models are also compared with the experiments. A good agreement between the numerical and the experimental results is obtained. The results obtained for the models are given in detail.
Dynamic generalized linear models for monitoring endemic diseases
DEFF Research Database (Denmark)
Lopes Antunes, Ana Carolina; Jensen, Dan; Hisham Beshara Halasa, Tariq
2016-01-01
The objective was to use a Dynamic Generalized Linear Model (DGLM) based on abinomial distribution with a linear trend, for monitoring the PRRS (Porcine Reproductive and Respiratory Syndrome sero-prevalence in Danish swine herds. The DGLM was described and its performance for monitoring control...... and eradication programmes based on changes in PRRS sero-prevalence was explored. Results showed a declining trend in PRRS sero-prevalence between 2007 and 2014 suggesting that Danish herds are slowly eradicating PRRS. The simulation study demonstrated the flexibility of DGLMs in adapting to changes intrends...... in sero-prevalence. Based on this, it was possible to detect variations in the growth model component. This study is a proof-of-concept, demonstrating the use of DGLMs for monitoring endemic diseases. In addition, the principles stated might be useful in general research on monitoring and surveillance...
Estimation and Inference for Very Large Linear Mixed Effects Models
Gao, K.; Owen, A. B.
2016-01-01
Linear mixed models with large imbalanced crossed random effects structures pose severe computational problems for maximum likelihood estimation and for Bayesian analysis. The costs can grow as fast as $N^{3/2}$ when there are N observations. Such problems arise in any setting where the underlying factors satisfy a many to many relationship (instead of a nested one) and in electronic commerce applications, the N can be quite large. Methods that do not account for the correlation structure can...
Using Quartile-Quartile Lines as Linear Models
Gordon, Sheldon P.
2015-01-01
This article introduces the notion of the quartile-quartile line as an alternative to the regression line and the median-median line to produce a linear model based on a set of data. It is based on using the first and third quartiles of a set of (x, y) data. Dynamic spreadsheets are used as exploratory tools to compare the different approaches and…
NON-LINEAR MODELING OF THE RHIC INTERACTION REGIONS
International Nuclear Information System (INIS)
TOMAS, R.; FISCHER, W.; JAIN, A.; LUO, Y.; PILAT, F.
2004-01-01
For RHIC's collision lattices the dominant sources of transverse non-linearities are located in the interaction regions. The field quality is available for most of the magnets in the interaction regions from the magnetic measurements, or from extrapolations of these measurements. We discuss the implementation of these measurements in the MADX models of the Blue and the Yellow rings and their impact on beam stability
Electromagnetic axial anomaly in a generalized linear sigma model
Fariborz, Amir H.; Jora, Renata
2017-06-01
We construct the electromagnetic anomaly effective term for a generalized linear sigma model with two chiral nonets, one with a quark-antiquark structure, the other one with a four-quark content. We compute in the leading order of this framework the decays into two photons of six pseudoscalars: π0(137 ), π0(1300 ), η (547 ), η (958 ), η (1295 ) and η (1760 ). Our results agree well with the available experimental data.
Monolayer and multilayer adsorption isotherm models for sorption from aqueous media
Energy Technology Data Exchange (ETDEWEB)
Saadi, Reyhaneh; Saadi, Zahra; Fazaeli, Reza; Fard, Narges Elmi [Islamic Azad University, Tehran (Iran, Islamic Republic of)
2015-05-15
Industrial wastewater polluted with various contaminants, including heavy metals, dyes, etc., endangers human health and the environment. Various separation techniques have been developed for the removal of pollutants from aqueous solutions. Adsorption process has drawn considerable attention due to its simplicity of design, high removal efficiency, even at dilute concentration, and economical aspect. We reviewed the most common two, three, four, and five parameter adsorption isotherm models corresponding to monolayer and multilayer adsorption on the basis of parameters that can be used for exploring novel adsorbents. Thermodynamic assumptions of the models give information about the surface properties, capacity of the adsorbent and adsorption mechanism. Seven error functions were investigated to evaluate the fitness quality of isotherm models with the experimental equilibrium data.
A modeling study of vacuum sorption characteristics of carbon dioxide on 4A zeolite molecular sieves
Energy Technology Data Exchange (ETDEWEB)
Prazniak, J.K.; Byers, C.H.
1987-08-01
A model is presented to describe the isothermal adsorption of carbon dioxide (CO/sub 2/) and of nitrogen (N/sub 2/) on 4A zeolite molecular sieves under cryogenic conditions. The model is comprised of a fluid-phase mass balance representing the dynamics of gas in the bed and a one-dimensional diffusion equation representing adsorption in the solid. Cubic crystals of 4A zeolite are assumed to be spherical, and the concentration dependence of the diffusivity of the sorbate in both the gas and solid phases is considered. Numerical solution of the parabolic partial differential model equations is accomplished using orthogonal collocation in conjunction with an ordinary differential equation integrator suitable for stiff equations. 34 refs., 18 figs., 5 tabs.
On the asymptotic behaviour of a simple model for sorption in porous media
International Nuclear Information System (INIS)
Linke, R.; Memmert, G.
1988-01-01
In order to study adsorption and desorption processes of a tracer in porous media, a simple model was used. In this model all reaction steps are assumed to be reversible and to follow first order kinetic behaviour. Results are presented for a homogeneous one-dimensional system. In particular, the asymptotic behaviour at long times is investigated. The asymptotic results are modified, if a second species of the tracer is present in the fluid phase. This additional component in the model might be the same element in a different oxidation state, or it could be a colloid. It is shown how different speciation in the fluid modifies the maximum value of tracer concentration due to the time dependent processes. (orig.)
Modelling of ion sorption on complex solid materials. Synthesis of research activities
International Nuclear Information System (INIS)
Marmier, Nicolas
2000-01-01
In this HDR (Accreditation to Supervise Researches) report, the author proposes an overview of his research activities which are part of efforts of qualification and quantification of retention capacities of synthetic and artificial materials used to confine nuclear wastes in an underground geological site by absorption of radio-elements possibly passed into solution. More specifically, these research works focused on models aimed at predicting the behaviour of a mixing with respect to adsorption, and thus at avoiding too cumbersome experimental characterizations. The author presents the designed modelling approach and models, describes the implemented scientific approach and the associated data acquisition methodology, and discusses the obtained results. He finally proposed an assessment of these research works, and discusses research perspectives on a short and medium term [fr
Comparison of Linear Prediction Models for Audio Signals
Directory of Open Access Journals (Sweden)
2009-03-01
Full Text Available While linear prediction (LP has become immensely popular in speech modeling, it does not seem to provide a good approach for modeling audio signals. This is somewhat surprising, since a tonal signal consisting of a number of sinusoids can be perfectly predicted based on an (all-pole LP model with a model order that is twice the number of sinusoids. We provide an explanation why this result cannot simply be extrapolated to LP of audio signals. If noise is taken into account in the tonal signal model, a low-order all-pole model appears to be only appropriate when the tonal components are uniformly distributed in the Nyquist interval. Based on this observation, different alternatives to the conventional LP model can be suggested. Either the model should be changed to a pole-zero, a high-order all-pole, or a pitch prediction model, or the conventional LP model should be preceded by an appropriate frequency transform, such as a frequency warping or downsampling. By comparing these alternative LP models to the conventional LP model in terms of frequency estimation accuracy, residual spectral flatness, and perceptual frequency resolution, we obtain several new and promising approaches to LP-based audio modeling.
A quasi-linear gyrokinetic transport model for tokamak plasmas
International Nuclear Information System (INIS)
Casati, A.
2009-10-01
After a presentation of some basics around nuclear fusion, this research thesis introduces the framework of the tokamak strategy to deal with confinement, hence the main plasma instabilities which are responsible for turbulent transport of energy and matter in such a system. The author also briefly introduces the two principal plasma representations, the fluid and the kinetic ones. He explains why the gyro-kinetic approach has been preferred. A tokamak relevant case is presented in order to highlight the relevance of a correct accounting of the kinetic wave-particle resonance. He discusses the issue of the quasi-linear response. Firstly, the derivation of the model, called QuaLiKiz, and its underlying hypotheses to get the energy and the particle turbulent flux are presented. Secondly, the validity of the quasi-linear response is verified against the nonlinear gyro-kinetic simulations. The saturation model that is assumed in QuaLiKiz, is presented and discussed. Then, the author qualifies the global outcomes of QuaLiKiz. Both the quasi-linear energy and the particle flux are compared to the expectations from the nonlinear simulations, across a wide scan of tokamak relevant parameters. Therefore, the coupling of QuaLiKiz within the integrated transport solver CRONOS is presented: this procedure allows the time-dependent transport problem to be solved, hence the direct application of the model to the experiment. The first preliminary results regarding the experimental analysis are finally discussed
A FIXED BED SORPTION SYSTEM FOR DEFLUORIDATION OF GROUND WATER
Directory of Open Access Journals (Sweden)
Ayoob Sulaiman
2009-06-01
Full Text Available The presence of excess fluoride in ground water has become a global threat with as many as 200 million people affected in more than 35 countries in all the continents. Of late, there have been significant advances in the knowledge base regarding the effects of excess fluoride on human health. As a result, defluoridation of ground water is regarded as one of the key areas of attention among the universal water community triggering global research. This study describes the sorptive responses of a newly developed adsorbent, alumina cement granules (ALC, in its real-life application in fixed beds, for removing fluoride from the ground waters of a rural Indian village. ALC exhibited almost consistent scavenging capacity at various bed depths in column studies with an enhanced adsorption potential of 0.818 mg/g at a flow rate of 4 ml/min. The Thomas model was examined to describe the sorption process. The process design parameters of the column were obtained by linear regression of the model. In all the conditions examined, the Thomas model could consistently predict its characteristic parameters and describe the breakthrough sorption profiles in the whole range of sorption process.
Surface complexation modeling of Cd(II) sorption to montmorillonite, bacteria, and their composite
Wang, Ning; Du, Huihui; Huang, Qiaoyun; Cai, Peng; Rong, Xingmin; Feng, Xionghan; Chen, Wenli
2016-10-01
Surface complexation modeling (SCM) has emerged as a powerful tool for simulating heavy metal adsorption processes on the surface of soil solid components under different geochemical conditions. The component additivity (CA) approach is one of the strategies that have been widely used in multicomponent systems. In this study, potentiometric titration, isothermal adsorption, zeta potential measurement, and extended X-ray absorption fine-structure (EXAFS) spectra analysis were conducted to investigate Cd adsorption on 2 : 1 clay mineral montmorillonite, on Gram-positive bacteria Bacillus subtilis, and their mineral-organic composite. We developed constant capacitance models of Cd adsorption on montmorillonite, bacterial cells, and mineral-organic composite. The adsorption behavior of Cd on the surface of the composite was well explained by CA-SCM. Some deviations were observed from the model simulations at pH SCM closely coincided with the estimated value of EXAFS at pH 6. The model could be useful for the prediction of heavy metal distribution at the interface of multicomponents and their risk evaluation in soils and associated environments.
Linear theory for filtering nonlinear multiscale systems with model error.
Berry, Tyrus; Harlim, John
2014-07-08
In this paper, we study filtering of multiscale dynamical systems with model error arising from limitations in resolving the smaller scale processes. In particular, the analysis assumes the availability of continuous-time noisy observations of all components of the slow variables. Mathematically, this paper presents new results on higher order asymptotic expansion of the first two moments of a conditional measure. In particular, we are interested in the application of filtering multiscale problems in which the conditional distribution is defined over the slow variables, given noisy observation of the slow variables alone. From the mathematical analysis, we learn that for a continuous time linear model with Gaussian noise, there exists a unique choice of parameters in a linear reduced model for the slow variables which gives the optimal filtering when only the slow variables are observed. Moreover, these parameters simultaneously give the optimal equilibrium statistical estimates of the underlying system, and as a consequence they can be estimated offline from the equilibrium statistics of the true signal. By examining a nonlinear test model, we show that the linear theory extends in this non-Gaussian, nonlinear configuration as long as we know the optimal stochastic parametrization and the correct observation model. However, when the stochastic parametrization model is inappropriate, parameters chosen for good filter performance may give poor equilibrium statistical estimates and vice versa; this finding is based on analytical and numerical results on our nonlinear test model and the two-layer Lorenz-96 model. Finally, even when the correct stochastic ansatz is given, it is imperative to estimate the parameters simultaneously and to account for the nonlinear feedback of the stochastic parameters into the reduced filter estimates. In numerical experiments on the two-layer Lorenz-96 model, we find that the parameters estimated online , as part of a filtering
Technical note: A linear model for predicting δ13 Cprotein.
Pestle, William J; Hubbe, Mark; Smith, Erin K; Stevenson, Joseph M
2015-08-01
Development of a model for the prediction of δ(13) Cprotein from δ(13) Ccollagen and Δ(13) Cap-co . Model-generated values could, in turn, serve as "consumer" inputs for multisource mixture modeling of paleodiet. Linear regression analysis of previously published controlled diet data facilitated the development of a mathematical model for predicting δ(13) Cprotein (and an experimentally generated error term) from isotopic data routinely generated during the analysis of osseous remains (δ(13) Cco and Δ(13) Cap-co ). Regression analysis resulted in a two-term linear model (δ(13) Cprotein (%) = (0.78 × δ(13) Cco ) - (0.58× Δ(13) Cap-co ) - 4.7), possessing a high R-value of 0.93 (r(2) = 0.86, P analysis of human osseous remains. These predicted values are ideal for use in multisource mixture modeling of dietary protein source contribution. © 2015 Wiley Periodicals, Inc.
International Nuclear Information System (INIS)
Ghodbane, Ilhem; Nouri, Loubna; Hamdaoui, Oualid; Chiha, Mahdi
2008-01-01
The efficiency of eucalyptus bark as a low cost sorbent for removing cadmium ions from aqueous solution has been investigated in batch mode. The equilibrium data could be well described by the Langmuir isotherm but a worse fit was obtained by the Freundlich model. The five linearized forms of the Langmuir equation as well as the non-linear curve fitting analysis method were discussed. Results show that the non-linear method may be a better way to obtain the Langmuir parameters. Maximum cadmium uptake obtained at a temperature of 20 deg. C was 14.53 mg g -1 . The influence of temperature on the sorption isotherms of cadmium has been also studied. The monolayer sorption capacity increased from 14.53 to 16.47 when the temperature was raised from 20 to 50 deg. C. The ΔG o values were negative, which indicates that the sorption was spontaneous in nature. The effect of experimental parameters such as contact time, cadmium initial concentration, sorbent dose, temperature, solution initial pH, agitation speed, and ionic strength on the sorption kinetics of cadmium was investigated. Pseudo-second-order model was evaluated using the six linear forms as well as the non-linear curve fitting analysis method. Modeling of kinetic results shows that sorption process is best described by the pseudo-second-order model using the non-linear method. The pseudo-second-order model parameters were function of the initial concentration, the sorbent dose, the solution pH, the agitation speed, the temperature, and the ionic strength
Watkins, Marquita; Sizochenko, Natalia; Moore, Quentarius; Golebiowski, Marek; Leszczynska, Danuta; Leszczynski, Jerzy
2017-01-01
Presence of chlorophenols in drinking water could be hazardous to human health. Optimization and computational modeling of experimental conditions of adsorption lead to understanding the mechanisms of this process and to creating the efficient experimental equipment. In the current study, we investigated multi-walled carbon nanotubes by means of density functional theory (DFT) approach. This is applied to study selected types of interactions between six solvents, five types of nanotubes, and ...
Neutron stars in non-linear coupling models
International Nuclear Information System (INIS)
Taurines, Andre R.; Vasconcellos, Cesar A.Z.; Malheiro, Manuel; Chiapparini, Marcelo
2001-01-01
We present a class of relativistic models for nuclear matter and neutron stars which exhibits a parameterization, through mathematical constants, of the non-linear meson-baryon couplings. For appropriate choices of the parameters, it recovers current QHD models found in the literature: Walecka, ZM and ZM3 models. We have found that the ZM3 model predicts a very small maximum neutron star mass, ∼ 0.72M s un. A strong similarity between the results of ZM-like models and those with exponential couplings is noted. Finally, we discuss the very intense scalar condensates found in the interior of neutron stars which may lead to negative effective masses. (author)
Neutron stars in non-linear coupling models
Energy Technology Data Exchange (ETDEWEB)
Taurines, Andre R.; Vasconcellos, Cesar A.Z. [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil); Malheiro, Manuel [Universidade Federal Fluminense, Niteroi, RJ (Brazil); Chiapparini, Marcelo [Universidade do Estado, Rio de Janeiro, RJ (Brazil)
2001-07-01
We present a class of relativistic models for nuclear matter and neutron stars which exhibits a parameterization, through mathematical constants, of the non-linear meson-baryon couplings. For appropriate choices of the parameters, it recovers current QHD models found in the literature: Walecka, ZM and ZM3 models. We have found that the ZM3 model predicts a very small maximum neutron star mass, {approx} 0.72M{sub s}un. A strong similarity between the results of ZM-like models and those with exponential couplings is noted. Finally, we discuss the very intense scalar condensates found in the interior of neutron stars which may lead to negative effective masses. (author)
Modelling of Rotational Capacity in Reinforced Linear Elements
DEFF Research Database (Denmark)
Hestbech, Lars; Hagsten, Lars German; Fisker, Jakob
2011-01-01
on the rotational capacity of the plastic hinges. The documentation of ductility can be a difficult task as modelling of rotational capacity in plastic hinges of frames is not fully developed. On the basis of the Theory of Plasticity a model is developed to determine rotational capacity in plastic hinges in linear......The Capacity Design Method forms the basis of several seismic design codes. This design philosophy allows plastic deformations in order to decrease seismic demands in structures. However, these plastic deformations must be localized in certain zones where ductility requirements can be documented...... reinforced concrete elements. The model is taking several important parameters into account. Empirical values is avoided which is considered an advantage compared to previous models. Furthermore, the model includes force variations in the reinforcement due to moment distributions and shear as well...
Mechanism and Modelling for Sorption of Toxic Ion on Cement Kiln Dust
International Nuclear Information System (INIS)
EI- Dakroury, A.; Sayed, M.S.; EL- Sherif, E.
2009-01-01
Cement manufacturing is a critically important industry in Egypt. These industrial by-product and waste materials must be managed responsibly to insure a clean and safe environment. Cement kiln dust (CKD) is a significant by-product material of the cement manufacturing process. Cement kiln dust is a waste residue composed chiefly of oxidized, anhydrous, micron - sized particles generated as a by product of the manufacture of Portland cement. The use of cement kiln dust as adsorbent in wastewater treatment has a great attention as cheap material and clay structure. This work will discuss the basic characteristics of CKD physical and chemical properties and regulatory requirements: The batch removal of Cr(VI) from aqueous solution using low cost adsorbents such as cement kiln dust under different experimental conditions. The influences of initial Cr (VI) ion concentration (20 to 300 mg1-1) and ph (1 to 4) were investigated in this study. Adsorption of Cr (VI) is highly ph-dependent and the results indicate that the optimum ph for the removal was found to be 1 for CKD. A comparison of kinetic models applied to the adsorption of Cr (VI) ions on the CKD was evaluated for the pseudo first order, the pseudo second-order, Elovich and intra particle diffusion kinetic models, respectively. The results showed that the pseudo second-order kinetic model was found to correlate the experimental data well
Sahin, Rubina; Tapadia, Kavita
2015-01-01
The three widely used isotherms Langmuir, Freundlich and Temkin were examined in an experiment using fluoride (F⁻) ion adsorption on a geo-material (limonite) at four different temperatures by linear and non-linear models. Comparison of linear and non-linear regression models were given in selecting the optimum isotherm for the experimental results. The coefficient of determination, r², was used to select the best theoretical isotherm. The four Langmuir linear equations (1, 2, 3, and 4) are discussed. Langmuir isotherm parameters obtained from the four Langmuir linear equations using the linear model differed but they were the same when using the nonlinear model. Langmuir-2 isotherm is one of the linear forms, and it had the highest coefficient of determination (r² = 0.99) compared to the other Langmuir linear equations (1, 3 and 4) in linear form, whereas, for non-linear, Langmuir-4 fitted best among all the isotherms because it had the highest coefficient of determination (r² = 0.99). The results showed that the non-linear model may be a better way to obtain the parameters. In the present work, the thermodynamic parameters show that the absorption of fluoride onto limonite is both spontaneous (ΔG 0). Scanning electron microscope and X-ray diffraction images also confirm the adsorption of F⁻ ion onto limonite. The isotherm and kinetic study reveals that limonite can be used as an adsorbent for fluoride removal. In future we can develop new technology for fluoride removal in large scale by using limonite which is cost-effective, eco-friendly and is easily available in the study area.
Directory of Open Access Journals (Sweden)
Maria Manuela Carvalho
2015-04-01
Full Text Available The increasing use of biofuels as additives to gasoline may have potential indirect effects on the efficiency of soil remediation technologies used to remediate fuel spills. This problem has not yet been studied. Sorption is one of the controlling processes in soil remediation. The effect of biofuels on sorption and phase distribution of contaminants by different natural soils has not been reported on the literature. The present work examines how two different biofuels, n-butanol and soybean biodiesel, affect benzene sorption in two naturally occurring subsoils (granite and limestone. Sorption isotherms were made with soils deliberately contaminated with benzene, benzene and n-butanol and benzene plus biodiesel, using lab-scale reactors operated at constant temperature, each one loaded with 700 grams of wet sterilized soil. For each type of soil, five isotherms were determined corresponding to different contamination profiles. It was concluded that sorption was strongly affected by the nature of the soil. The partition of benzene into the different phases of the soil was significantly affected by the presence of biofuels. The experimental data was fitted to conventional sorption models, Freundlich, Langmuir and a second order polynomial. Model parameters were determined using a non-linear least squares (NLLS optimization algorithm and showed a good agreement between experimental and fitted data.
Network Traffic Monitoring Using Poisson Dynamic Linear Models
Energy Technology Data Exchange (ETDEWEB)
Merl, D. M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2011-05-09
In this article, we discuss an approach for network forensics using a class of nonstationary Poisson processes with embedded dynamic linear models. As a modeling strategy, the Poisson DLM (PoDLM) provides a very flexible framework for specifying structured effects that may influence the evolution of the underlying Poisson rate parameter, including diurnal and weekly usage patterns. We develop a novel particle learning algorithm for online smoothing and prediction for the PoDLM, and demonstrate the suitability of the approach to real-time deployment settings via a new application to computer network traffic monitoring.
On the chiral phase transition in the linear sigma model
International Nuclear Information System (INIS)
Tran Huu Phat; Nguyen Tuan Anh; Le Viet Hoa
2003-01-01
The Cornwall- Jackiw-Tomboulis (CJT) effective action for composite operators at finite temperature is used to investigate the chiral phase transition within the framework of the linear sigma model as the low-energy effective model of quantum chromodynamics (QCD). A new renormalization prescription for the CJT effective action in the Hartree-Fock (HF) approximation is proposed. A numerical study, which incorporates both thermal and quantum effect, shows that in this approximation the phase transition is of first order. However, taking into account the higher-loop diagrams contribution the order of phase transition is unchanged. (author)
Bayesian Subset Modeling for High-Dimensional Generalized Linear Models
Liang, Faming; Song, Qifan; Yu, Kai
2013-01-01
criterion model. The consistency of the resulting posterior is established under mild conditions. Further, a variable screening procedure is proposed based on the marginal inclusion probability, which shares the same properties of sure screening
International Nuclear Information System (INIS)
Bradbury, M.H.; Baeyens, B.; Marques Fernandes, M.
2012-01-01
Document available in extended abstract form only. In order to obtain a (quasi) mechanistic understanding of radionuclide uptake on clay minerals and argillaceous rocks, the majority of sorption experiments have been carried out on purified clay minerals such as montmorillonite and illite at trace concentrations (sorption edges), or as a function of concentration (sorption isotherms), with a single radionuclide under well-defined conditions in simple background electrolytes. As a result of such studies the 2 site proto-lysis non electrostatic surface complexation cation exchange (2SPNE SC/CE) sorption model, was developed and has been successfully applied to quantitatively describe the uptake of numerous radionuclides of differing valences as a function of pH and concentration on montmorillonite. In a deep geological repository for high level waste, stable impurities arise from many sources: they are present in the pore waters, in the tunnel back fill materials and host rock formations, they arise from the corrosion of the carbon steel canister and finally they are dissolved from the spent fuel and vitrified high level waste simultaneously with the radionuclides. These impurities, which are an integral part of a realistic repository system, can potentially compete with radionuclides for the sorption sites on the backfill materials and host rock and thus reduce their uptake on them. The influence of competitive sorption is not intrinsically included (or only partly so) in the sorption model. It is clearly an inherently important issue to quantify the influence of sorption competition on the transport of released radionuclides through the multi-barrier system in a deep repository. In this study an extreme case of a competitive sorption scenario in the near field of a HLW repository is presented. Two factors are considered: one associated with the high concentrations and the other with competitive sorption effects. The tendency in both cases is to cause a reduction in
Application of linearized model to the stability analysis of the pressurized water reactor
International Nuclear Information System (INIS)
Li Haipeng; Huang Xiaojin; Zhang Liangju
2008-01-01
A Linear Time-Invariant model of the Pressurized Water Reactor is formulated through the linearization of the nonlinear model. The model simulation results show that the linearized model agrees well with the nonlinear model under small perturbation. Based upon the Lyapunov's First Method, the linearized model is applied to the stability analysis of the Pressurized Water Reactor. The calculation results show that the methodology of linearization to stability analysis is conveniently feasible. (authors)
International Nuclear Information System (INIS)
El Mrabet, R.; Abril, J.M.; Barros, H.; Manjon, G.
2004-01-01
Kinetic transfer coefficients are important parameters to understand and reliably model the behaviour of non-conservative radionuclides in aquatic environments. This report pertains to a series of radiotracer experiments on 239 Pu uptake in natural unfiltered waters from the Hueznar reservoir (southern Spain). The experimental procedure ensures the preservation of environmental conditions and the dissolved Pu activity was measured by liquid scintillation technique. The data suggest that the main pathways for Pu uptake consist of two parallel and reversible reactions followed by a consecutive reversible reaction. We studied the effects of suspended matter concentrations and the specific surface area on the kinetic transfer coefficients. (author)
Esteley, Cristina B.; Villarreal, Monica E.; Alagia, Humberto R.
2010-01-01
Over the past several years, we have been exploring and researching a phenomenon that occurs among undergraduate students that we called extension of linear models to non-linear contexts or overgeneralization of linear models. This phenomenon appears when some students use linear representations in situations that are non-linear. In a first phase,…
A Linear Viscoelastic Model Calibration of Sylgard 184.
Energy Technology Data Exchange (ETDEWEB)
Long, Kevin Nicholas; Brown, Judith Alice
2017-04-01
We calibrate a linear thermoviscoelastic model for solid Sylgard 184 (90-10 formulation), a lightly cross-linked, highly flexible isotropic elastomer for use both in Sierra / Solid Mechanics via the Universal Polymer Model as well as in Sierra / Structural Dynamics (Salinas) for use as an isotropic viscoelastic material. Material inputs for the calibration in both codes are provided. The frequency domain master curve of oscillatory shear was obtained from a report from Los Alamos National Laboratory (LANL). However, because the form of that data is different from the constitutive models in Sierra, we also present the mapping of the LANL data onto Sandia’s constitutive models. Finally, blind predictions of cyclic tension and compression out to moderate strains of 40 and 20% respectively are compared with Sandia’s legacy cure schedule material. Although the strain rate of the data is unknown, the linear thermoviscoelastic model accurately predicts the experiments out to moderate strains for the slower strain rates, which is consistent with the expectation that quasistatic test procedures were likely followed. This good agreement comes despite the different cure schedules between the Sandia and LANL data.
Predicting Madura cattle growth curve using non-linear model
Widyas, N.; Prastowo, S.; Widi, T. S. M.; Baliarti, E.
2018-03-01
Madura cattle is Indonesian native. It is a composite breed that has undergone hundreds of years of selection and domestication to reach nowadays remarkable uniformity. Crossbreeding has reached the isle of Madura and the Madrasin, a cross between Madura cows and Limousine semen emerged. This paper aimed to compare the growth curve between Madrasin and one type of pure Madura cows, the common Madura cattle (Madura) using non-linear models. Madura cattles are kept traditionally thus reliable records are hardly available. Data were collected from small holder farmers in Madura. Cows from different age classes (5years) were observed, and body measurements (chest girth, body length and wither height) were taken. In total 63 Madura and 120 Madrasin records obtained. Linear model was built with cattle sub-populations and age as explanatory variables. Body weights were estimated based on the chest girth. Growth curves were built using logistic regression. Results showed that within the same age, Madrasin has significantly larger body compared to Madura (plogistic models fit better for Madura and Madrasin cattle data; with the estimated MSE for these models were 39.09 and 759.28 with prediction accuracy of 99 and 92% for Madura and Madrasin, respectively. Prediction of growth curve using logistic regression model performed well in both types of Madura cattle. However, attempts to administer accurate data on Madura cattle are necessary to better characterize and study these cattle.
A non-linear model of information seeking behaviour
Directory of Open Access Journals (Sweden)
Allen E. Foster
2005-01-01
Full Text Available The results of a qualitative, naturalistic, study of information seeking behaviour are reported in this paper. The study applied the methods recommended by Lincoln and Guba for maximising credibility, transferability, dependability, and confirmability in data collection and analysis. Sampling combined purposive and snowball methods, and led to a final sample of 45 inter-disciplinary researchers from the University of Sheffield. In-depth semi-structured interviews were used to elicit detailed examples of information seeking. Coding of interview transcripts took place in multiple iterations over time and used Atlas-ti software to support the process. The results of the study are represented in a non-linear Model of Information Seeking Behaviour. The model describes three core processes (Opening, Orientation, and Consolidation and three levels of contextual interaction (Internal Context, External Context, and Cognitive Approach, each composed of several individual activities and attributes. The interactivity and shifts described by the model show information seeking to be non-linear, dynamic, holistic, and flowing. The paper concludes by describing the whole model of behaviours as analogous to an artist's palette, in which activities remain available throughout information seeking. A summary of key implications of the model and directions for further research are included.
Effect Displays in R for Generalised Linear Models
Directory of Open Access Journals (Sweden)
John Fox
2003-07-01
Full Text Available This paper describes the implementation in R of a method for tabular or graphical display of terms in a complex generalised linear model. By complex, I mean a model that contains terms related by marginality or hierarchy, such as polynomial terms, or main effects and interactions. I call these tables or graphs effect displays. Effect displays are constructed by identifying high-order terms in a generalised linear model. Fitted values under the model are computed for each such term. The lower-order "relatives" of a high-order term (e.g., main effects marginal to an interaction are absorbed into the term, allowing the predictors appearing in the high-order term to range over their values. The values of other predictors are fixed at typical values: for example, a covariate could be fixed at its mean or median, a factor at its proportional distribution in the data, or to equal proportions in its several levels. Variations of effect displays are also described, including representation of terms higher-order to any appearing in the model.
Global numerical modeling of magnetized plasma in a linear device
DEFF Research Database (Denmark)
Magnussen, Michael Løiten
Understanding the turbulent transport in the plasma-edge in fusion devices is of utmost importance in order to make precise predictions for future fusion devices. The plasma turbulence observed in linear devices shares many important features with the turbulence observed in the edge of fusion dev...... with simulations performed at different ionization levels, using a simple model for plasma interaction with neutrals. It is found that the steady state and the saturated state of the system bifurcates when the neutral interaction dominates the electron-ion collisions.......Understanding the turbulent transport in the plasma-edge in fusion devices is of utmost importance in order to make precise predictions for future fusion devices. The plasma turbulence observed in linear devices shares many important features with the turbulence observed in the edge of fusion...... devices, and are easier to diagnose due to lower temperatures and a better access to the plasma. In order to gain greater insight into this complex turbulent behavior, numerical simulations of plasma in a linear device are performed in this thesis. Here, a three-dimensional drift-fluid model is derived...
Predicting birth weight with conditionally linear transformation models.
Möst, Lisa; Schmid, Matthias; Faschingbauer, Florian; Hothorn, Torsten
2016-12-01
Low and high birth weight (BW) are important risk factors for neonatal morbidity and mortality. Gynecologists must therefore accurately predict BW before delivery. Most prediction formulas for BW are based on prenatal ultrasound measurements carried out within one week prior to birth. Although successfully used in clinical practice, these formulas focus on point predictions of BW but do not systematically quantify uncertainty of the predictions, i.e. they result in estimates of the conditional mean of BW but do not deliver prediction intervals. To overcome this problem, we introduce conditionally linear transformation models (CLTMs) to predict BW. Instead of focusing only on the conditional mean, CLTMs model the whole conditional distribution function of BW given prenatal ultrasound parameters. Consequently, the CLTM approach delivers both point predictions of BW and fetus-specific prediction intervals. Prediction intervals constitute an easy-to-interpret measure of prediction accuracy and allow identification of fetuses subject to high prediction uncertainty. Using a data set of 8712 deliveries at the Perinatal Centre at the University Clinic Erlangen (Germany), we analyzed variants of CLTMs and compared them to standard linear regression estimation techniques used in the past and to quantile regression approaches. The best-performing CLTM variant was competitive with quantile regression and linear regression approaches in terms of conditional coverage and average length of the prediction intervals. We propose that CLTMs be used because they are able to account for possible heteroscedasticity, kurtosis, and skewness of the distribution of BWs. © The Author(s) 2014.
Wavefront Sensing for WFIRST with a Linear Optical Model
Jurling, Alden S.; Content, David A.
2012-01-01
In this paper we develop methods to use a linear optical model to capture the field dependence of wavefront aberrations in a nonlinear optimization-based phase retrieval algorithm for image-based wavefront sensing. The linear optical model is generated from a ray trace model of the system and allows the system state to be described in terms of mechanical alignment parameters rather than wavefront coefficients. This approach allows joint optimization over images taken at different field points and does not require separate convergence of phase retrieval at individual field points. Because the algorithm exploits field diversity, multiple defocused images per field point are not required for robustness. Furthermore, because it is possible to simultaneously fit images of many stars over the field, it is not necessary to use a fixed defocus to achieve adequate signal-to-noise ratio despite having images with high dynamic range. This allows high performance wavefront sensing using in-focus science data. We applied this technique in a simulation model based on the Wide Field Infrared Survey Telescope (WFIRST) Intermediate Design Reference Mission (IDRM) imager using a linear optical model with 25 field points. We demonstrate sub-thousandth-wave wavefront sensing accuracy in the presence of noise and moderate undersampling for both monochromatic and polychromatic images using 25 high-SNR target stars. Using these high-quality wavefront sensing results, we are able to generate upsampled point-spread functions (PSFs) and use them to determine PSF ellipticity to high accuracy in order to reduce the systematic impact of aberrations on the accuracy of galactic ellipticity determination for weak-lensing science.
A linearized dispersion relation for orthorhombic pseudo-acoustic modeling
Song, Xiaolei
2012-11-04
Wavefield extrapolation in acoustic orthorhombic anisotropic media suffers from wave-mode coupling and stability limitations in the parameter range. We introduce a linearized form of the dispersion relation for acoustic orthorhombic media to model acoustic wavefields. We apply the lowrank approximation approach to handle the corresponding space-wavenumber mixed-domain operator. Numerical experiments show that the proposed wavefield extrapolator is accurate and practically free of dispersions. Further, there is no coupling of qSv and qP waves, because we use the analytical dispersion relation. No constraints on Thomsen\\'s parameters are required for stability. The linearized expression may provide useful application for parameter estimation in orthorhombic media.
DEFF Research Database (Denmark)
Johannesson, Björn; Janz, Mårten
2009-01-01
Building constructions most commonly consists of layered porous materials such as masonry on bricks. The moisture distribution and its variations due to change in surrounding environment is of special interest in such layered construction since materials adsorb different amounts of water and exhi......Building constructions most commonly consists of layered porous materials such as masonry on bricks. The moisture distribution and its variations due to change in surrounding environment is of special interest in such layered construction since materials adsorb different amounts of water....... The model is developed by carefully examining the mass balance postulates for the two considered constituents together with appropriate and suitable constitutive assumptions. A test example is solved by using an implemented implicit finite element code which uses a modified Newton-Raphson scheme to tackle...
Modeling of sorption processes on solid-phase ion-exchangers
Dorofeeva, Ludmila; Kuan, Nguyen Anh
2018-03-01
Research of alkaline elements separation on solid-phase ion-exchangers is carried out to define the selectivity coefficients and height of an equivalent theoretical stage for both continuous and stepwise filling of column by ionite. On inorganic selective sorbents the increase in isotope enrichment factor up to 0.0127 is received. Also, parametrical models that are adequately describing dependence of the pressure difference and the magnitude expansion in the ion-exchange layer from the flow rate and temperature have been obtained. The concentration rate value under the optimum realization conditions of process and depending on type of a selective material changes in a range 1.021÷1.092. Calculated results show agreement with experimental data.
Linearized vector radiative transfer model MCC++ for a spherical atmosphere
International Nuclear Information System (INIS)
Postylyakov, O.V.
2004-01-01
Application of radiative transfer models has shown that optical remote sensing requires extra characteristics of radiance field in addition to the radiance intensity itself. Simulation of spectral measurements, analysis of retrieval errors and development of retrieval algorithms are in need of derivatives of radiance with respect to atmospheric constituents under investigation. The presented vector spherical radiative transfer model MCC++ was linearized, which allows the calculation of derivatives of all elements of the Stokes vector with respect to the volume absorption coefficient simultaneously with radiance calculation. The model MCC++ employs Monte Carlo algorithm for radiative transfer simulation and takes into account aerosol and molecular scattering, gas and aerosol absorption, and Lambertian surface albedo. The model treats a spherically symmetrical atmosphere. Relation of the estimated derivatives with other forms of radiance derivatives: the weighting functions used in gas retrieval and the air mass factors used in the DOAS retrieval algorithms, is obtained. Validation of the model against other radiative models is overviewed. The computing time of the intensity for the MCC++ model is about that for radiative models treating sphericity of the atmosphere approximately and is significantly shorter than that for the full spherical models used in the comparisons. The simultaneous calculation of all derivatives (i.e. with respect to absorption in all model atmosphere layers) and the intensity is only 1.2-2 times longer than the calculation of the intensity only
Hamid, Ka; Yusoff, An; Rahman, Mza; Mohamad, M; Hamid, Aia
2012-04-01
This fMRI study is about modelling the effective connectivity between Heschl's gyrus (HG) and the superior temporal gyrus (STG) in human primary auditory cortices. MATERIALS #ENTITYSTARTX00026; Ten healthy male participants were required to listen to white noise stimuli during functional magnetic resonance imaging (fMRI) scans. Statistical parametric mapping (SPM) was used to generate individual and group brain activation maps. For input region determination, two intrinsic connectivity models comprising bilateral HG and STG were constructed using dynamic causal modelling (DCM). The models were estimated and inferred using DCM while Bayesian Model Selection (BMS) for group studies was used for model comparison and selection. Based on the winning model, six linear and six non-linear causal models were derived and were again estimated, inferred, and compared to obtain a model that best represents the effective connectivity between HG and the STG, balancing accuracy and complexity. Group results indicated significant asymmetrical activation (p(uncorr) Model comparison results showed strong evidence of STG as the input centre. The winning model is preferred by 6 out of 10 participants. The results were supported by BMS results for group studies with the expected posterior probability, r = 0.7830 and exceedance probability, ϕ = 0.9823. One-sample t-tests performed on connection values obtained from the winning model indicated that the valid connections for the winning model are the unidirectional parallel connections from STG to bilateral HG (p model comparison between linear and non-linear models using BMS prefers non-linear connection (r = 0.9160, ϕ = 1.000) from which the connectivity between STG and the ipsi- and contralateral HG is gated by the activity in STG itself. We are able to demonstrate that the effective connectivity between HG and STG while listening to white noise for the respective participants can be explained by a non-linear dynamic causal model with
Exactly soluble two-state quantum models with linear couplings
International Nuclear Information System (INIS)
Torosov, B T; Vitanov, N V
2008-01-01
A class of exact analytic solutions of the time-dependent Schroedinger equation is presented for a two-state quantum system coherently driven by a nonresonant external field. The coupling is a linear function of time with a finite duration and the detuning is constant. Four special models are considered in detail, namely the shark, double-shark, tent and zigzag models. The exact solution is derived by rotation of the Landau-Zener propagator at an angle of π/4 and is expressed in terms of Weber's parabolic cylinder function. Approximations for the transition probabilities are derived for all four models by using the asymptotics of the Weber function; these approximations demonstrate various effects of physical interest for each model
Effects of Citrate and Arginine on Sorption of Nickel to Yazd Sepiolite and Calcite
Directory of Open Access Journals (Sweden)
Ahmadreza Sheikhhosseini
2017-03-01
, and W was the mass (g of the sorbent. The Langmuir, Freundlich and linear isotherm models were fitted to sorption data using Graphpad prism 5.0. For kinetic study,30 mL of 0.01 M CaCl2 solution, with or without 0.1 mM citrate or arginine, containing Ni at a concentration corresponding to the maximum sorption capacity of each mineral (estimated from sorption isotherms were transferred into 50-ml polyethylene centrifuge tubes containing 0.3 g of sepiolite or calcite. The suspensions were shaken (180±2 rpm, 25 °C continuously and after 0.5, 1.5, 3, 6, 12, 18 and 24 hours, corresponding tubes were centrifuged (4000×g for 10 min and supernatants were analyzed for Ni concentration by atomic absorption spectrophotometer. Using Graphpad prism 5.0, kinetic data were fitted to Pseudo-first order, pseudo-second order and power function kinetic models. Results: With or without ligands, the Langmuir model was the best description of Ni sorption to sepiolite while the linear model was the best fit of calcite data showing the physical nature of Ni sorption by this mineral. Kinetics of Ni sorption to sepiolite and calcite were best described by power function model. In the presence of citrate, both capacity and rate of sorption of Ni to sepiolite decreased. There was no considerable change in sorption of Ni to calcite. In the presence of arginine, however, sorption capacity of minerals for Ni increased. Arginine enhanced the rate of Ni sorption on all three minerals. Citrate showed opposing effects on Ni sorption kinetics depending on the studied minerals. Totally, citrate and arginine had opposite effects on sorption of Ni to sepiolite and calcite. Conclusion: Organic ligands can change sorption characteristics of the minerals. It seems that citrate decreases sorption of Ni to sepiolite but its effect on Ni sorption to calcite is negligible, while arginine increases Ni sorption to both minerals. Our results suggested that presence of citrate and arginine in soil influence Ni
Behavior of Cs in Grimsel granodiorite. Sorption on main minerals and crushed rock
Energy Technology Data Exchange (ETDEWEB)
Muuri, Eveliina; Ikonen, Jussi; Matara-aho, Minja; Voutilainen, Mikko; Siitari-Kauppi, Marja [Helsinki Univ. (Finland). Dept. of Chemistry; Lindberg, Antero [Geological Survey of Finland, Espoo (Finland); Holgersson, Stellan [Chalmers University of Technology, Goeteborg (Sweden). Dept. of Chemical and Biological Engineering, Nuclear Chemistry; Martin, Andrew [Nagra (National Cooperative for the Disposal of Radioactive Waste), Wettingen (Switzerland)
2016-11-01
In this study the sorption of cesium was investigated on four different minerals; quartz, plagioclase, potassium feldspar and biotite as well as granodiorite obtained from the Grimsel test site in Switzerland. The experiments were conducted in the presence of the weakly saline Grimsel groundwater simulant by determining the distribution coefficients using batch sorption experiments and PHREEQC-modelling across a large concentration range. In addition, the purity of the minerals was measured by XRD and the specific surface areas by BET method using krypton. The distribution coefficients of cesium were largest on biotite (0.304±0.005 m{sup 3}/kg in 10{sup -8} M). Furthermore, the sorption of cesium on quartz was found to be negligibly small in all investigated concentrations and the sorption of cesium on potassium feldspar and plagioclase showed similar behavior against a concentration isotherm with distribution coefficients of 0.0368±0.0004 m{sup 3}/kg and 0.18±0.04 m{sup 3}/kg in 10{sup -8} M. Finally, cesium sorption behavior on crushed granodiorite followed the trend of one of its most abundant mineral, plagioclase with distribution coefficient values of 0.107±0.003 m{sup 3}/kg in 10{sup -8} M. At low concentrations (<1.0.10{sup -6} M) cesium was sorbed on the frayed edge sites of biotite and once these sites are fully occupied cesium sorbs additionally to the Type II and Planar sites. As a consequence, the sorption of cesium on biotite is decreased at concentrations >1.0.10{sup -6} M. Secondly cesium sorption on potassium feldspar and plagioclase showed similar non-linear behavior with varying concentration. The results were used to assist the interpretation of cesium diffusion process in the 2.5 year in-situ experiment carried out in the underground laboratory at Grimsel test site in Switzerland (2007-2009).
Parametric Linear Hybrid Automata for Complex Environmental Systems Modeling
Directory of Open Access Journals (Sweden)
Samar Hayat Khan Tareen
2015-07-01
Full Text Available Environmental systems, whether they be weather patterns or predator-prey relationships, are dependent on a number of different variables, each directly or indirectly affecting the system at large. Since not all of these factors are known, these systems take on non-linear dynamics, making it difficult to accurately predict meaningful behavioral trends far into the future. However, such dynamics do not warrant complete ignorance of different efforts to understand and model close approximations of these systems. Towards this end, we have applied a logical modeling approach to model and analyze the behavioral trends and systematic trajectories that these systems exhibit without delving into their quantification. This approach, formalized by René Thomas for discrete logical modeling of Biological Regulatory Networks (BRNs and further extended in our previous studies as parametric biological linear hybrid automata (Bio-LHA, has been previously employed for the analyses of different molecular regulatory interactions occurring across various cells and microbial species. As relationships between different interacting components of a system can be simplified as positive or negative influences, we can employ the Bio-LHA framework to represent different components of the environmental system as positive or negative feedbacks. In the present study, we highlight the benefits of hybrid (discrete/continuous modeling which lead to refinements among the fore-casted behaviors in order to find out which ones are actually possible. We have taken two case studies: an interaction of three microbial species in a freshwater pond, and a more complex atmospheric system, to show the applications of the Bio-LHA methodology for the timed hybrid modeling of environmental systems. Results show that the approach using the Bio-LHA is a viable method for behavioral modeling of complex environmental systems by finding timing constraints while keeping the complexity of the model
Linear models for multivariate, time series, and spatial data
Christensen, Ronald
1991-01-01
This is a companion volume to Plane Answers to Complex Questions: The Theory 0/ Linear Models. It consists of six additional chapters written in the same spirit as the last six chapters of the earlier book. Brief introductions are given to topics related to linear model theory. No attempt is made to give a comprehensive treatment of the topics. Such an effort would be futile. Each chapter is on a topic so broad that an in depth discussion would require a book-Iength treatment. People need to impose structure on the world in order to understand it. There is a limit to the number of unrelated facts that anyone can remem ber. If ideas can be put within a broad, sophisticatedly simple structure, not only are they easier to remember but often new insights become avail able. In fact, sophisticatedly simple models of the world may be the only ones that work. I have often heard Arnold Zellner say that, to the best of his knowledge, this is true in econometrics. The process of modeling is fundamental to understand...
Linear mixed models a practical guide using statistical software
West, Brady T; Galecki, Andrzej T
2014-01-01
Highly recommended by JASA, Technometrics, and other journals, the first edition of this bestseller showed how to easily perform complex linear mixed model (LMM) analyses via a variety of software programs. Linear Mixed Models: A Practical Guide Using Statistical Software, Second Edition continues to lead readers step by step through the process of fitting LMMs. This second edition covers additional topics on the application of LMMs that are valuable for data analysts in all fields. It also updates the case studies using the latest versions of the software procedures and provides up-to-date information on the options and features of the software procedures available for fitting LMMs in SAS, SPSS, Stata, R/S-plus, and HLM.New to the Second Edition A new chapter on models with crossed random effects that uses a case study to illustrate software procedures capable of fitting these models Power analysis methods for longitudinal and clustered study designs, including software options for power analyses and suggest...
Metzelder, Florian; Schmidt, Torsten C
2017-05-02
Sorption to carbon-based nanomaterials is typically studied in batch experiments. An alternative method offering advantages to study sorption is column chromatography. Sorbent packed columns are used and sorption data are determined by relating sorbate retention to that of a nonretarded tracer. We have now for the first time applied this technique to study the influence of environmental conditions on sorption of inorganic anions (bromide, nitrite, nitrate, and iodide) to multiwalled carbon nanotubes. Deuterium oxide was used as nonretarded tracer. Sorption isotherms were best described by the Freundlich model. Sorption increased in the order bromide 4.5 the surface charge was negative, but sorption was still detectable at pH 6 and 9. Consequently, other forces than electrostatic attraction contributed to sorption. These forces may include H-bonding as indicated by sorption enthalpy determined by variation of column temperature. Overall, column chromatography represents a promising alternative in sorption studies to reveal sorbent properties.
Sorption of metaldehyde using granular activated carbon
Directory of Open Access Journals (Sweden)
S. Salvestrini
2017-09-01
Full Text Available In this work, the ability of granular activated carbon (GAC to sorb metaldehyde was evaluated. The kinetic data could be described by an intra-particle diffusion model, which indicated that the porosity of the sorbent strongly influenced the rate of sorption. The analysis of the equilibrium sorption data revealed that ionic strength and temperature did not play any significant role in the metaldehyde uptake. The sorption isotherms were successfully predicted by the Freundlich model. The GAC used in this paper exhibited a higher affinity and sorption capacity for metaldehyde with respect to other GACs studied in previous works, probably as a result of its higher specific surface area and high point of zero charge.
Yang, Kangjian; Yang, Ping; Wang, Shuai; Dong, Lizhi; Xu, Bing
2018-05-01
We propose a method to identify tip-tilt disturbance model for Linear Quadratic Gaussian control. This identification method based on Levenberg-Marquardt method conducts with a little prior information and no auxiliary system and it is convenient to identify the tip-tilt disturbance model on-line for real-time control. This identification method makes it easy that Linear Quadratic Gaussian control runs efficiently in different adaptive optics systems for vibration mitigation. The validity of the Linear Quadratic Gaussian control associated with this tip-tilt disturbance model identification method is verified by experimental data, which is conducted in replay mode by simulation.
Bayesian uncertainty quantification in linear models for diffusion MRI.
Sjölund, Jens; Eklund, Anders; Özarslan, Evren; Herberthson, Magnus; Bånkestad, Maria; Knutsson, Hans
2018-03-29
Diffusion MRI (dMRI) is a valuable tool in the assessment of tissue microstructure. By fitting a model to the dMRI signal it is possible to derive various quantitative features. Several of the most popular dMRI signal models are expansions in an appropriately chosen basis, where the coefficients are determined using some variation of least-squares. However, such approaches lack any notion of uncertainty, which could be valuable in e.g. group analyses. In this work, we use a probabilistic interpretation of linear least-squares methods to recast popular dMRI models as Bayesian ones. This makes it possible to quantify the uncertainty of any derived quantity. In particular, for quantities that are affine functions of the coefficients, the posterior distribution can be expressed in closed-form. We simulated measurements from single- and double-tensor models where the correct values of several quantities are known, to validate that the theoretically derived quantiles agree with those observed empirically. We included results from residual bootstrap for comparison and found good agreement. The validation employed several different models: Diffusion Tensor Imaging (DTI), Mean Apparent Propagator MRI (MAP-MRI) and Constrained Spherical Deconvolution (CSD). We also used in vivo data to visualize maps of quantitative features and corresponding uncertainties, and to show how our approach can be used in a group analysis to downweight subjects with high uncertainty. In summary, we convert successful linear models for dMRI signal estimation to probabilistic models, capable of accurate uncertainty quantification. Copyright © 2018 Elsevier Inc. All rights reserved.
Modelling non-linear effects of dark energy
Bose, Benjamin; Baldi, Marco; Pourtsidou, Alkistis
2018-04-01
We investigate the capabilities of perturbation theory in capturing non-linear effects of dark energy. We test constant and evolving w models, as well as models involving momentum exchange between dark energy and dark matter. Specifically, we compare perturbative predictions at 1-loop level against N-body results for four non-standard equations of state as well as varying degrees of momentum exchange between dark energy and dark matter. The interaction is modelled phenomenologically using a time dependent drag term in the Euler equation. We make comparisons at the level of the matter power spectrum and the redshift space monopole and quadrupole. The multipoles are modelled using the Taruya, Nishimichi and Saito (TNS) redshift space spectrum. We find perturbation theory does very well in capturing non-linear effects coming from dark sector interaction. We isolate and quantify the 1-loop contribution coming from the interaction and from the non-standard equation of state. We find the interaction parameter ξ amplifies scale dependent signatures in the range of scales considered. Non-standard equations of state also give scale dependent signatures within this same regime. In redshift space the match with N-body is improved at smaller scales by the addition of the TNS free parameter σv. To quantify the importance of modelling the interaction, we create mock data sets for varying values of ξ using perturbation theory. This data is given errors typical of Stage IV surveys. We then perform a likelihood analysis using the first two multipoles on these sets and a ξ=0 modelling, ignoring the interaction. We find the fiducial growth parameter f is generally recovered even for very large values of ξ both at z=0.5 and z=1. The ξ=0 modelling is most biased in its estimation of f for the phantom w=‑1.1 case.
Spatial generalised linear mixed models based on distances.
Melo, Oscar O; Mateu, Jorge; Melo, Carlos E
2016-10-01
Risk models derived from environmental data have been widely shown to be effective in delineating geographical areas of risk because they are intuitively easy to understand. We present a new method based on distances, which allows the modelling of continuous and non-continuous random variables through distance-based spatial generalised linear mixed models. The parameters are estimated using Markov chain Monte Carlo maximum likelihood, which is a feasible and a useful technique. The proposed method depends on a detrending step built from continuous or categorical explanatory variables, or a mixture among them, by using an appropriate Euclidean distance. The method is illustrated through the analysis of the variation in the prevalence of Loa loa among a sample of village residents in Cameroon, where the explanatory variables included elevation, together with maximum normalised-difference vegetation index and the standard deviation of normalised-difference vegetation index calculated from repeated satellite scans over time. © The Author(s) 2013.
Linear system identification via backward-time observer models
Juang, Jer-Nan; Phan, Minh
1993-01-01
This paper presents an algorithm to identify a state-space model of a linear system using a backward-time approach. The procedure consists of three basic steps. First, the Markov parameters of a backward-time observer are computed from experimental input-output data. Second, the backward-time observer Markov parameters are decomposed to obtain the backward-time system Markov parameters (backward-time pulse response samples) from which a backward-time state-space model is realized using the Eigensystem Realization Algorithm. Third, the obtained backward-time state space model is converted to the usual forward-time representation. Stochastic properties of this approach will be discussed. Experimental results are given to illustrate when and to what extent this concept works.
Linear mixing model applied to AVHRR LAC data
Holben, Brent N.; Shimabukuro, Yosio E.
1993-01-01
A linear mixing model was applied to coarse spatial resolution data from the NOAA Advanced Very High Resolution Radiometer. The reflective component of the 3.55 - 3.93 microns channel was extracted and used with the two reflective channels 0.58 - 0.68 microns and 0.725 - 1.1 microns to run a Constraine Least Squares model to generate vegetation, soil, and shade fraction images for an area in the Western region of Brazil. The Landsat Thematic Mapper data covering the Emas National park region was used for estimating the spectral response of the mixture components and for evaluating the mixing model results. The fraction images were compared with an unsupervised classification derived from Landsat TM data acquired on the same day. The relationship between the fraction images and normalized difference vegetation index images show the potential of the unmixing techniques when using coarse resolution data for global studies.
Accelerating transient simulation of linear reduced order models.
Energy Technology Data Exchange (ETDEWEB)
Thornquist, Heidi K.; Mei, Ting; Keiter, Eric Richard; Bond, Brad
2011-10-01
Model order reduction (MOR) techniques have been used to facilitate the analysis of dynamical systems for many years. Although existing model reduction techniques are capable of providing huge speedups in the frequency domain analysis (i.e. AC response) of linear systems, such speedups are often not obtained when performing transient analysis on the systems, particularly when coupled with other circuit components. Reduced system size, which is the ostensible goal of MOR methods, is often insufficient to improve transient simulation speed on realistic circuit problems. It can be shown that making the correct reduced order model (ROM) implementation choices is crucial to the practical application of MOR methods. In this report we investigate methods for accelerating the simulation of circuits containing ROM blocks using the circuit simulator Xyce.
Behavioral modeling of the dominant dynamics in input-output transfer of linear(ized) circuits
Beelen, T.G.J.; Maten, ter E.J.W.; Sihaloho, H.J.; Eijndhoven, van S.J.L.
2010-01-01
We present a powerful procedure for determining both the dominant dynamics of the inputoutput transfer and the corresponding most influential circuit parameters of a linear(ized) circuit. The procedure consists of several steps in which a specific (sub)problem is solved and its solution is used in
Non Linear Modelling and Control of Hydraulic Actuators
Directory of Open Access Journals (Sweden)
B. Šulc
2002-01-01
Full Text Available This paper deals with non-linear modelling and control of a differential hydraulic actuator. The nonlinear state space equations are derived from basic physical laws. They are more powerful than the transfer function in the case of linear models, and they allow the application of an object oriented approach in simulation programs. The effects of all friction forces (static, Coulomb and viscous have been modelled, and many phenomena that are usually neglected are taken into account, e.g., the static term of friction, the leakage between the two chambers and external space. Proportional Differential (PD and Fuzzy Logic Controllers (FLC have been applied in order to make a comparison by means of simulation. Simulation is performed using Matlab/Simulink, and some of the results are compared graphically. FLC is tuned in a such way that it produces a constant control signal close to its maximum (or minimum, where possible. In the case of PD control the occurrence of peaks cannot be avoided. These peaks produce a very high velocity that oversteps the allowed values.
Modeling Pan Evaporation for Kuwait by Multiple Linear Regression
Almedeij, Jaber
2012-01-01
Evaporation is an important parameter for many projects related to hydrology and water resources systems. This paper constitutes the first study conducted in Kuwait to obtain empirical relations for the estimation of daily and monthly pan evaporation as functions of available meteorological data of temperature, relative humidity, and wind speed. The data used here for the modeling are daily measurements of substantial continuity coverage, within a period of 17 years between January 1993 and December 2009, which can be considered representative of the desert climate of the urban zone of the country. Multiple linear regression technique is used with a procedure of variable selection for fitting the best model forms. The correlations of evaporation with temperature and relative humidity are also transformed in order to linearize the existing curvilinear patterns of the data by using power and exponential functions, respectively. The evaporation models suggested with the best variable combinations were shown to produce results that are in a reasonable agreement with observation values. PMID:23226984
A linear model for flow over complex terrain
Energy Technology Data Exchange (ETDEWEB)
Frank, H P [Risoe National Lab., Wind Energy and Atmospheric Physics Dept., Roskilde (Denmark)
1999-03-01
A linear flow model similar to WA{sup s}P or LINCOM has been developed. Major differences are an isentropic temperature equation which allows internal gravity waves, and vertical advection of the shear of the mean flow. The importance of these effects are illustrated by examples. Resource maps are calculated from a distribution of geostrophic winds and stratification for Pyhaetunturi Fell in northern Finland and Acqua Spruzza in Italy. Stratification becomes important if the inverse Froude number formulated with the width of the hill becomes of order one or greater. (au) EU-JOULE-3. 16 refs.
Linear-quadratic model predictions for tumor control probability
International Nuclear Information System (INIS)
Yaes, R.J.
1987-01-01
Sigmoid dose-response curves for tumor control are calculated from the linear-quadratic model parameters α and Β, obtained from human epidermoid carcinoma cell lines, and are much steeper than the clinical dose-response curves for head and neck cancers. One possible explanation is the presence of small radiation-resistant clones arising from mutations in an initially homogeneous tumor. Using the mutation theory of Delbruck and Luria and of Goldie and Coldman, the authors discuss the implications of such radiation-resistant clones for clinical radiation therapy
Inventory model using bayesian dynamic linear model for demand forecasting
Directory of Open Access Journals (Sweden)
Marisol Valencia-Cárdenas
2014-12-01
Full Text Available An important factor of manufacturing process is the inventory management of terminated product. Constantly, industry is looking for better alternatives to establish an adequate plan of production and stored quantities, with optimal cost, getting quantities in a time horizon, which permits to define resources and logistics with anticipation, needed to distribute products on time. Total absence of historical data, required by many statistical models to forecast, demands the search for other kind of accurate techniques. This work presents an alternative that not only permits to forecast, in an adjusted way, but also, to provide optimal quantities to produce and store with an optimal cost, using Bayesian statistics. The proposal is illustrated with real data. Palabras clave: estadística bayesiana, optimización, modelo de inventarios, modelo lineal dinámico bayesiano. Keywords: Bayesian statistics, opti
Sorption data bases and mechanistic sorption studies
International Nuclear Information System (INIS)
Bradbury, M.H.
2000-01-01
In common with many other countries with a nuclear programme, the Swiss concept for the disposal of radioactive waste is focused on deep burial in specially constructed repositories in geologically stable host rocks. Under such conditions, the most likely means whereby radionuclides might return to the biosphere involves their transport in slowly moving groundwater. The sorption of radionuclides by solid phases in the engineered barriers within the repository, and in the surrounding geological media, limits their release and retards their movement. Performance assessment studies for disposal concepts are carried out by Nagra, the National Cooperative for the Disposal of Radioactive Waste, in which various release scenarios are examined, and 'doses to man' calculated. The uptake of radionuclides by immobile phases is one of the pillars upon which the safety case rests. Hence, sorption databases are very important data sets for performance assessments. The methodology lying behind the construction of sorption databases, and some aspects of the supporting experimental work, are briefly described in this report. Flexible, long-term, focused research programmes are required to properly understand the radionuclide/rock/groundwater system, and this is an essential pre-requisite for producing robust state-of-the-art sorption databases. (author)
Sorption data bases and mechanistic sorption studies
Energy Technology Data Exchange (ETDEWEB)
Bradbury, M.H
2000-07-01
In common with many other countries with a nuclear programme, the Swiss concept for the disposal of radioactive waste is focused on deep burial in specially constructed repositories in geologically stable host rocks. Under such conditions, the most likely means whereby radionuclides might return to the biosphere involves their transport in slowly moving groundwater. The sorption of radionuclides by solid phases in the engineered barriers within the repository, and in the surrounding geological media, limits their release and retards their movement. Performance assessment studies for disposal concepts are carried out by Nagra, the National Cooperative for the Disposal of Radioactive Waste, in which various release scenarios are examined, and 'doses to man' calculated. The uptake of radionuclides by immobile phases is one of the pillars upon which the safety case rests. Hence, sorption databases are very important data sets for performance assessments. The methodology lying behind the construction of sorption databases, and some aspects of the supporting experimental work, are briefly described in this report. Flexible, long-term, focused research programmes are required to properly understand the radionuclide/rock/groundwater system, and this is an essential pre-requisite for producing robust state-of-the-art sorption databases. (author)
International Nuclear Information System (INIS)
Lauber, Matthias; Baeyens, Bart; Bradbury, Michael H.
2000-12-01
Opalinus Clay is currently under investigation as a potential host rock for the disposal of high level and long-lived intermediate radioactive waste. A throughout physico-chemical characterisation was carried out on a bore core sample from the underground rock laboratory Mont Terri (Canton Jura). The results of these investigations indicate that the major characteristics (mineralogy, cation exchange capacity, cation occupancies, selectivity coefficients, chloride and sulphate inventories) were very similar to a different core sample, previously used for pore water modelling studies. It was concluded that the pore water compositions derived in the earlier studies were reliable and could be used in this work. The organic matter which dissolved from the Opalinus Clay rock was not humic or fulvic acids and the concentration remaining in the liquid phase in the sorption experiments was < 0.5 ppm C. The organic matter is therefore considered to have little or no influence on the sorption behaviour of the studied radionuclides. Redox potential measurements of the Opalinus Clay/synthetic pore water system inside the glove boxes indicated anoxic conditions. The main focus of the experimental work presented here is on the sorption behaviour of Cs (I), Sr (II), Ni (II), Eu (III), Th (IV), Sn (IV) and Se (IV) on Opalinus Clay equilibrated with synthetic pore waters at pH 6.3 and 8. Sorption isotherms were measured for Cs, Ni, Eu, Th and Se. Single point data were measured for Sr and Sn. For all radionuclides studied the sorption kinetics were measured first. The times required to complete the sorption on the Opalinus Clay varied between one day for Th and one month for Ni and Se. Within the concentration ranges under study the uptake of Cs, Ni, Eu and Se on Opalinus Clay was non-linear, whereas for Th a linear sorption behaviour was observed. For Ni, Eu and Th the sorption increased with increasing pH. For Cs a pH independent sorption behaviour was observed. The concentration
Migration and sorption phenomena in packaged foods.
Gnanasekharan, V; Floros, J D
1997-10-01
Rapidly developing analytical capabilities and continuously evolving stringent regulations have made food/package interactions a subject of intense research. This article focuses on: (1) the migration of package components such as oligomers and monomers, processing aids, additives, and residual reactants in to packaged foods, and (2) sorption of food components such as flavors, lipids, and moisture into packages. Principles of diffusion and thermodynamics are utilized to describe the mathematics of migration and sorption. Mathematical models are developed from first principles, and their applicability is illustrated using numerical simulations and published data. Simulations indicate that available models are system (polymer-penetrant) specific. Furthermore, some models best describe the early stages of migration/sorption, whereas others should be used for the late stages of these phenomena. Migration- and/or sorption-related problems with respect to glass, metal, paper-based and polymeric packaging materials are discussed, and their importance is illustrated using published examples. The effects of migrating and absorbed components on food safety, quality, and the environment are presented for various foods and packaging materials. The impact of currently popular packaging techniques such as microwavable, ovenable, and retortable packaging on migration and sorption are discussed with examples. Analytical techniques for investigating migration and sorption phenomena in food packaging are critically reviewed, with special emphasis on the use and characteristics of food-simulating liquids (FSLs). Finally, domestic and international regulations concerning migration in packaged foods, and their impact on food packaging is briefly presented.
Phenomenology of non-minimal supersymmetric models at linear colliders
International Nuclear Information System (INIS)
Porto, Stefano
2015-06-01
The focus of this thesis is on the phenomenology of several non-minimal supersymmetric models in the context of future linear colliders (LCs). Extensions of the minimal supersymmetric Standard Model (MSSM) may accommodate the observed Higgs boson mass at about 125 GeV in a more natural way than the MSSM, with a richer phenomenology. We consider both F-term extensions of the MSSM, as for instance the non-minimal supersymmetric Standard Model (NMSSM), as well as D-terms extensions arising at low energies from gauge extended supersymmetric models. The NMSSM offers a solution to the μ-problem with an additional gauge singlet supermultiplet. The enlarged neutralino sector of the NMSSM can be accurately studied at a LC and used to distinguish the model from the MSSM. We show that exploiting the power of the polarised beams of a LC can be used to reconstruct the neutralino and chargino sector and eventually distinguish the NMSSM even considering challenging scenarios that resemble the MSSM. Non-decoupling D-terms extensions of the MSSM can raise the tree-level Higgs mass with respect to the MSSM. This is done through additional contributions to the Higgs quartic potential, effectively generated by an extended gauge group. We study how this can happen and we show how these additional non-decoupling D-terms affect the SM-like Higgs boson couplings to fermions and gauge bosons. We estimate how the deviations from the SM couplings can be spotted at the Large Hadron Collider (LHC) and at the International Linear Collider (ILC), showing how the ILC would be suitable for the model identication. Since our results prove that a linear collider is a fundamental machine for studying supersymmetry phenomenology at a high level of precision, we argue that also a thorough comprehension of the physics at the interaction point (IP) of a LC is needed. Therefore, we finally consider the possibility of observing intense electromagnetic field effects and nonlinear quantum electrodynamics
Sorption of caesium and strontium onto calcium silicate hydrate in saline groundwater
International Nuclear Information System (INIS)
Sugiyama, D.; Fujita, T.
2005-01-01
Full text of publication follows: In the concept for radioactive waste disposal in Japan, cement is a potential waste packaging and backfilling material and is expected to provide chemical containment. The sorption of radionuclides onto cement materials, which controls the aqueous concentrations of elements in the pore-water, is a very important parameter when considering the release of radionuclides from the near field of a cementitious radioactive waste repository. Many safety assessment calculations currently assume radionuclide retardation as linear sorption equilibrium and describe it with a distribution ratio (R d value). In this study, the sorption mechanism is discussed by measuring the sorption isotherm of caesium, strontium (10 -5 ∼ 10 -2 mol dm -3 ) and sodium (10 -4 ∼ 10 -1 mol dm -3 ) onto Calcium Silicate Hydrate (C-S-H gel, Ca/Si 0.65 ∼ 1.2) at a liquid:solid ratio of 100:1, to support the assumption. In addition, the competitive sorption between caesium or strontium, and sodium is studied by sorption measurements using a range of sodium chloride concentration to simulate different ionic strengths in saline groundwater. The initial and equilibrated aqueous compositions were measured in the sorption experiments and it was found that caesium, strontium and sodium were sorbed by substitution for Ca in C-S-H phases by examining the mass balance. Based on the experimental results, we propose a modelling approach in which the ion-exchange model is employed and the presence of some calcium sites with different ion-exchange log K values in C-S-H is assumed by considering the composition and the structure of C-S-H. The modelling calculation results predict the measured Rd values well and also describe the competition of sorption of caesium or strontium, and sodium in the experiments. The log K values for sorption of each cation element decreased as Ca/Si ratio of C-S-H gel increased. This agrees with the trend that C-S-H gel is negatively charged at low
Non-Linear Slosh Damping Model Development and Validation
Yang, H. Q.; West, Jeff
2015-01-01
Propellant tank slosh dynamics are typically represented by a mechanical model of spring mass damper. This mechanical model is then included in the equation of motion of the entire vehicle for Guidance, Navigation and Control (GN&C) analysis. For a partially-filled smooth wall propellant tank, the critical damping based on classical empirical correlation is as low as 0.05%. Due to this low value of damping, propellant slosh is potential sources of disturbance critical to the stability of launch and space vehicles. It is postulated that the commonly quoted slosh damping is valid only under the linear regime where the slosh amplitude is small. With the increase of slosh amplitude, the critical damping value should also increase. If this nonlinearity can be verified and validated, the slosh stability margin can be significantly improved, and the level of conservatism maintained in the GN&C analysis can be lessened. The purpose of this study is to explore and to quantify the dependence of slosh damping with slosh amplitude. Accurately predicting the extremely low damping value of a smooth wall tank is very challenging for any Computational Fluid Dynamics (CFD) tool. One must resolve thin boundary layers near the wall and limit numerical damping to minimum. This computational study demonstrates that with proper grid resolution, CFD can indeed accurately predict the low damping physics from smooth walls under the linear regime. Comparisons of extracted damping values with experimental data for different tank sizes show very good agreements. Numerical simulations confirm that slosh damping is indeed a function of slosh amplitude. When slosh amplitude is low, the damping ratio is essentially constant, which is consistent with the empirical correlation. Once the amplitude reaches a critical value, the damping ratio becomes a linearly increasing function of the slosh amplitude. A follow-on experiment validated the developed nonlinear damping relationship. This discovery can
Effect of natural organic materials on cadmium and neptunium sorption
International Nuclear Information System (INIS)
Kung, K.S.; Triay, I.R.
1994-01-01
In a batch sorption study of the effect of naturally occurring organic materials on the sorption of cadmium and neptunium on oxides and tuff surfaces, the model sorbents were synthetic goethite, boehmite, amorphous silicon oxides, and a crushed tuff material from Yucca Mountain, Nevada. An amino acid, 3-(3,4-dihydroxypheny)-DL-alanine (DOPA), and an aquatic-originated fulvic material, Nordic aquatic fulvic acid (NAFA), were used as model organic chemicals. Sorption isotherm results showed that DOPA sorption followed the order aluminum oxide > iron oxide > silicon oxide and that the amount of DOAP sorption for a given sorbent increased as the solution pH was raised. The sorption of cadmium and neptunium on the iron oxide was about ten times higher than that on the aluminum oxide. The sorption of cadmium and neptunium on natural tuff material was much lower than that on aluminum and iron oxides. The sorption of cadmium on iron and aluminum oxides was found to be influenced by the presence of DOPA, and increasing the amount of DOPA coating resulted in higher cadmium sorption on aluminum oxide. However, for iron oxide, cadmium sorption decreased with increasing DOPA concentration. The presence of the model organic materials DOPA and NAFA did not affect the sorption of neptunium on tuff material or on the iron and aluminum oxides. Spectroscopic results indicate that cadmium complexes strongly with DOPA. Therefore, the effect of the organic material, DOPA, on the cadmium sorption is readily observed. However, neptunium is possibly complexed weakly with organic material. Thus, DOPA and NAFA have little effect on neptunium sorption on all sorbents selected for study
Carbon dioxide sorption on EDTA modified halloysite
Directory of Open Access Journals (Sweden)
Waszczuk Patrycja
2016-01-01
Full Text Available In this paper the sorption study of CO2 on EDTA surface modified halloysite was conducted. In the paper chemical modification of halloysite from the Dunino deposit (Poland and its influence on sorption of CO2 are presented. A halloysite samples were washed with water-EDTA 1% solution, centrifuged to separate liquid and impurities and dried. The samples were tested for the sorption capacity using a manometric method with pressure up to 3 MPa. A Langmuir adsorption model was fitted to the data. The results showed that EDTA had a limited effect on the increase of sorption potential at low pressure and the samples exhibited similar results to that ones treated solely with the water solution.
Radionuclide sorption on granitic drill core material
International Nuclear Information System (INIS)
Eriksen, T.E.; Locklund, B.
1987-11-01
Distribution ratios were determined for Sr-85, Cs-134 and Eu-152 on crushed granite and fissure coating/filling material from Stripa mines. Measurements were also carried out on intact fissure surfaces. The experimental data for Sr-85, Cs-134 on crushed material can be accomodated by a sorption model based on the assumption that the crushed material consists of porous spheres with outer and inner surfaces available for sorption. In the case of Eu-152 only sorption on the outer surfaces of the crushed material was observed. The absence of sorption on inner surfaces is most probably due to high depletion of the more strongly sorbed Eu-152 in the water phase and very low diffusivity of Eu-152 in the sorbed state. (orig./HP)
Non linear permanent magnets modelling with the finite element method
International Nuclear Information System (INIS)
Chavanne, J.; Meunier, G.; Sabonnadiere, J.C.
1989-01-01
In order to perform the calculation of permanent magnets with the finite element method, it is necessary to take into account the anisotropic behaviour of hard magnetic materials (Ferrites, NdFeB, SmCo5). In linear cases, the permeability of permanent magnets is a tensor. This one is fully described with the permeabilities parallel and perpendicular to the easy axis of the magnet. In non linear cases, the model uses a texture function which represents the distribution of the local easy axis of the cristallytes of the magnet. This function allows a good representation of the angular dependance of the coercitive field of the magnet. As a result, it is possible to express the magnetic induction B and the tensor as functions of the field and the texture parameter. This model has been implemented in the software FLUX3D where the tensor is used for the Newton-Raphson procedure. 3D demagnetization of a ferrite magnet by a NdFeB magnet is a suitable representative example. They analyze the results obtained for an ideally oriented ferrite magnet and a real one using a measured texture parameter
Linear collider signal of anomaly mediated supersymmetry breaking model
International Nuclear Information System (INIS)
Ghosh Dilip Kumar; Kundu, Anirban; Roy, Probir; Roy, Sourov
2001-01-01
Though the minimal model of anomaly mediated supersymmetry breaking has been significantly constrained by recent experimental and theoretical work, there are still allowed regions of the parameter space for moderate to large values of tan β. We show that these regions will be comprehensively probed in a √s = 1 TeV e + e - linear collider. Diagnostic signals to this end are studied by zeroing in on a unique and distinct feature of a large class of models in this genre: a neutral winolike Lightest Supersymmetric Particle closely degenerate in mass with a winolike chargino. The pair production processes e + e - → e tilde L ± e tilde L ± , e tilde R ± e tilde R ± , e tilde L ± e tilde R ± , ν tilde anti ν tilde, χ tilde 1 0 χ tilde 2 0 , χ tilde 2 0 χ tilde 2 0 are all considered at √s = 1 TeV corresponding to the proposed TESLA linear collider in two natural categories of mass ordering in the sparticle spectra. The signals analysed comprise multiple combinations of fast charged leptons (any of which can act as the trigger) plus displaced vertices X D (any of which can be identified by a heavy ionizing track terminating in the detector) and/or associated soft pions with characteristic momentum distributions. (author)
Linear versus quadratic portfolio optimization model with transaction cost
Razak, Norhidayah Bt Ab; Kamil, Karmila Hanim; Elias, Siti Masitah
2014-06-01
Optimization model is introduced to become one of the decision making tools in investment. Hence, it is always a big challenge for investors to select the best model that could fulfill their goal in investment with respect to risk and return. In this paper we aims to discuss and compare the portfolio allocation and performance generated by quadratic and linear portfolio optimization models namely of Markowitz and Maximin model respectively. The application of these models has been proven to be significant and popular among others. However transaction cost has been debated as one of the important aspects that should be considered for portfolio reallocation as portfolio return could be significantly reduced when transaction cost is taken into consideration. Therefore, recognizing the importance to consider transaction cost value when calculating portfolio' return, we formulate this paper by using data from Shariah compliant securities listed in Bursa Malaysia. It is expected that, results from this paper will effectively justify the advantage of one model to another and shed some lights in quest to find the best decision making tools in investment for individual investors.
Probabilistic model of ligaments and tendons: Quasistatic linear stretching
Bontempi, M.
2009-03-01
Ligaments and tendons have a significant role in the musculoskeletal system and are frequently subjected to injury. This study presents a model of collagen fibers, based on the study of a statistical distribution of fibers when they are subjected to quasistatic linear stretching. With respect to other methodologies, this model is able to describe the behavior of the bundle using less ad hoc hypotheses and is able to describe all the quasistatic stretch-load responses of the bundle, including the yield and failure regions described in the literature. It has two other important results: the first is that it is able to correlate the mechanical behavior of the bundle with its internal structure, and it suggests a methodology to deduce the fibers population distribution directly from the tensile-test data. The second is that it can follow fibers’ structure evolution during the stretching and it is possible to study the internal adaptation of fibers in physiological and pathological conditions.
Linear mixing model applied to coarse resolution satellite data
Holben, Brent N.; Shimabukuro, Yosio E.
1992-01-01
A linear mixing model typically applied to high resolution data such as Airborne Visible/Infrared Imaging Spectrometer, Thematic Mapper, and Multispectral Scanner System is applied to the NOAA Advanced Very High Resolution Radiometer coarse resolution satellite data. The reflective portion extracted from the middle IR channel 3 (3.55 - 3.93 microns) is used with channels 1 (0.58 - 0.68 microns) and 2 (0.725 - 1.1 microns) to run the Constrained Least Squares model to generate fraction images for an area in the west central region of Brazil. The derived fraction images are compared with an unsupervised classification and the fraction images derived from Landsat TM data acquired in the same day. In addition, the relationship betweeen these fraction images and the well known NDVI images are presented. The results show the great potential of the unmixing techniques for applying to coarse resolution data for global studies.
Relating Cohesive Zone Model to Linear Elastic Fracture Mechanics
Wang, John T.
2010-01-01
The conditions required for a cohesive zone model (CZM) to predict a failure load of a cracked structure similar to that obtained by a linear elastic fracture mechanics (LEFM) analysis are investigated in this paper. This study clarifies why many different phenomenological cohesive laws can produce similar fracture predictions. Analytical results for five cohesive zone models are obtained, using five different cohesive laws that have the same cohesive work rate (CWR-area under the traction-separation curve) but different maximum tractions. The effect of the maximum traction on the predicted cohesive zone length and the remote applied load at fracture is presented. Similar to the small scale yielding condition for an LEFM analysis to be valid. the cohesive zone length also needs to be much smaller than the crack length. This is a necessary condition for a CZM to obtain a fracture prediction equivalent to an LEFM result.
Locally supersymmetric D=3 non-linear sigma models
International Nuclear Information System (INIS)
Wit, B. de; Tollsten, A.K.; Nicolai, H.
1993-01-01
We study non-linear sigma models with N local supersymmetries in three space-time dimensions. For N=1 and 2 the target space of these models is riemannian or Kaehler, respectively. All N>2 theories are associated with Einstein spaces. For N=3 the target space is quaternionic, while for N=4 it generally decomposes, into two separate quaternionic spaces, associated with inequivalent supermultiplets. For N=5, 6, 8 there is a unique (symmetric) space for any given number of supermultiplets. Beyond that there are only theories based on a single supermultiplet for N=9, 10, 12 and 16, associated with coset spaces with the exceptional isometry groups F 4(-20) , E 6(-14) , E 7(-5) and E 8(+8) , respectively. For N=3 and N ≥ 5 the D=2 theories obtained by dimensional reduction are two-loop finite. (orig.)
Explicit estimating equations for semiparametric generalized linear latent variable models
Ma, Yanyuan
2010-07-05
We study generalized linear latent variable models without requiring a distributional assumption of the latent variables. Using a geometric approach, we derive consistent semiparametric estimators. We demonstrate that these models have a property which is similar to that of a sufficient complete statistic, which enables us to simplify the estimating procedure and explicitly to formulate the semiparametric estimating equations. We further show that the explicit estimators have the usual root n consistency and asymptotic normality. We explain the computational implementation of our method and illustrate the numerical performance of the estimators in finite sample situations via extensive simulation studies. The advantage of our estimators over the existing likelihood approach is also shown via numerical comparison. We employ the method to analyse a real data example from economics. © 2010 Royal Statistical Society.
Synthetic Domain Theory and Models of Linear Abadi & Plotkin Logic
DEFF Research Database (Denmark)
Møgelberg, Rasmus Ejlers; Birkedal, Lars; Rosolini, Guiseppe
2008-01-01
Plotkin suggested using a polymorphic dual intuitionistic/linear type theory (PILLY) as a metalanguage for parametric polymorphism and recursion. In recent work the first two authors and R.L. Petersen have defined a notion of parametric LAPL-structure, which are models of PILLY, in which one can...... reason using parametricity and, for example, solve a large class of domain equations, as suggested by Plotkin.In this paper, we show how an interpretation of a strict version of Bierman, Pitts and Russo's language Lily into synthetic domain theory presented by Simpson and Rosolini gives rise...... to a parametric LAPL-structure. This adds to the evidence that the notion of LAPL-structure is a general notion, suitable for treating many different parametric models, and it provides formal proofs of consequences of parametricity expected to hold for the interpretation. Finally, we show how these results...
Directory of Open Access Journals (Sweden)
Jessica López
2014-01-01
Full Text Available Adsorption and desorption isotherms of fresh and dried Cape gooseberry (Physalis peruviana L. were determined at three temperatures (20, 40 and 60 °C using a gravimetric technique. The data obtained were fitted to several models including Guggenheim-Anderson- De Boer (GAB, Brunauer-Emmett-Teller (BET, Henderson, Caurie, Smith, Oswin, Halsey and Iglesias-Chirife. A non-linear least square regression analysis was used to evaluate the models. The Iglesias-Chirife model fitted best the experimental data. Isosteric heat of sorption was also determined from the equilibrium sorption data using the Clausius-Clapeyron equation and was found to decrease exponentially with increasing moisture content. The enthalpy-entropy compensation theory was applied to the sorption isotherms and indicated an enthalpy-controlled sorption process. Glass transition temperature (Tg of Cape gooseberry was also determined by differential scanning calorimetry and modelled as a function of moisture content with the Gordon-Taylor, the Roos and the Khalloufi models, which proved to be excellent tools for predicting glass transition of Cape gooseberry.
International Nuclear Information System (INIS)
Doughty, Christine; Chin-Fu Tsang
2009-03-01
This study has been undertaken to obtain a better understanding of the processes underlying retention of radionuclides in fractured rock by using different model conceptualisations when interpreting SWIW tests. In particular the aim is to infer the diffusion and sorption parameters from the SWIW test data by matching tracer breakthrough curves (BTC) with a complex fracture model. The model employs two populations for diffusion and sorption. One population represents the semi-infinite rock matrix and the other represents finite blocks that can become saturated, thereafter accepting no further diffusion or sorption. For the non-sorbing tracer uranine, both the finite and the semi-infinite populations play a distinct role in controlling BTC. For the sorbing tracers Cs and Rb the finite population does not saturate, but acts essentially semi-infinite, thus the BTC behaviour is comparable to that obtained for a model containing only a semi-infinite rock matrix. The ability to match BTC for both sorbing and non-sorbing tracers for these three different SWIW data sets demonstrates that the two-population complex fracture model may be useful to analyze SWIW tracer test data in general. One of the two populations should be the semi-infinite rock matrix and the other finite blocks that can saturate. The latter can represent either rock blocks within the fracture, a fracture skin zone or stagnation zones. Three representative SWIW tracer tests recently conducted by SKB have been analyzed with a complex fracture model employing two populations for diffusion and sorption, one population being the semi-infinite rock matrix and the other, finite blocks. The results show that by adjusting diffusion and sorption parameters of the model, a good match with field data is obtained for BTC of both conservative and non-conservative tracers simultaneously. For non-sorbing tracer uranine, both the finite and the semi-infinite populations play a distinct role in controlling BTC. At early
The influence of Fe(II) competition on the sorption and migration of Ni(II) in MX-80 bentonite
International Nuclear Information System (INIS)
Pfingsten, Wilfried; Bradbury, Mike; Baeyens, Bart
2011-01-01
Highlights: → We model the diffusion of Ni(II) through bentonite using different sorption models. → We examine sorption competition of Fe(II) and Ni(II) at different concentrations. → Ni(II) breakthrough is 15 times earlier with Fe(II) sorption competition. → Ni(II) sorption is non-linear and depends on the Fe(II) concentration levels. → Sorption competition is important and has to be modelled by reactive transport codes. - Abstract: The results from batch sorption experiments on montmorillonite systems have demonstrated that bivalent transition metals compete with one another for sorption sites. For safety analysis studies of high level radioactive waste repositories with compacted bentonite near fields, the importance of competitive sorption on the migration of radionuclides needs to be evaluated. Under reducing conditions, the bentonite porewater chosen has a Fe(II) concentration of ∼5.3 x 10 -5 M through saturation with siderite. The purpose of this paper is to assess the influence of such high Fe(II) concentrations on the transport of Ni(II) through compacted bentonite, Ni(II) was chosen as an example of a bivalent transition metal. The one-dimensional calculations were carried out at different Ni(II) equilibrium concentrations at the boundary (Ni(II) EQBM ) with the reactive transport code MCOTAC incorporating the two site protolysis non electrostatic surface complexation/cation exchange sorption model, MCOTAC-sorb. At a Ni(II) EQBM level of 10 -7 M without Fe(II) competition, the reactive transport calculations using a constant K d approach and the MCOTAC-sorb calculation yielded the same breakthrough curves. At higher Ni(II) EQBM (10 -5 M), the model calculations with MCOTAC-sorb indicated a breakthrough which was shifted to later times by a factor of ∼5 compared with the use of the constant K d approach. When sorption competition was included in the calculations, the magnitude of the influence depended on the sorption characteristics of the
Solving large mixed linear models using preconditioned conjugate gradient iteration.
Strandén, I; Lidauer, M
1999-12-01
Continuous evaluation of dairy cattle with a random regression test-day model requires a fast solving method and algorithm. A new computing technique feasible in Jacobi and conjugate gradient based iterative methods using iteration on data is presented. In the new computing technique, the calculations in multiplication of a vector by a matrix were recorded to three steps instead of the commonly used two steps. The three-step method was implemented in a general mixed linear model program that used preconditioned conjugate gradient iteration. Performance of this program in comparison to other general solving programs was assessed via estimation of breeding values using univariate, multivariate, and random regression test-day models. Central processing unit time per iteration with the new three-step technique was, at best, one-third that needed with the old technique. Performance was best with the test-day model, which was the largest and most complex model used. The new program did well in comparison to other general software. Programs keeping the mixed model equations in random access memory required at least 20 and 435% more time to solve the univariate and multivariate animal models, respectively. Computations of the second best iteration on data took approximately three and five times longer for the animal and test-day models, respectively, than did the new program. Good performance was due to fast computing time per iteration and quick convergence to the final solutions. Use of preconditioned conjugate gradient based methods in solving large breeding value problems is supported by our findings.
Linear mixed-effects modeling approach to FMRI group analysis.
Chen, Gang; Saad, Ziad S; Britton, Jennifer C; Pine, Daniel S; Cox, Robert W
2013-06-01
Conventional group analysis is usually performed with Student-type t-test, regression, or standard AN(C)OVA in which the variance-covariance matrix is presumed to have a simple structure. Some correction approaches are adopted when assumptions about the covariance structure is violated. However, as experiments are designed with different degrees of sophistication, these traditional methods can become cumbersome, or even be unable to handle the situation at hand. For example, most current FMRI software packages have difficulty analyzing the following scenarios at group level: (1) taking within-subject variability into account when there are effect estimates from multiple runs or sessions; (2) continuous explanatory variables (covariates) modeling in the presence of a within-subject (repeated measures) factor, multiple subject-grouping (between-subjects) factors, or the mixture of both; (3) subject-specific adjustments in covariate modeling; (4) group analysis with estimation of hemodynamic response (HDR) function by multiple basis functions; (5) various cases of missing data in longitudinal studies; and (6) group studies involving family members or twins. Here we present a linear mixed-effects modeling (LME) methodology that extends the conventional group analysis approach to analyze many complicated cases, including the six prototypes delineated above, whose analyses would be otherwise either difficult or unfeasible under traditional frameworks such as AN(C)OVA and general linear model (GLM). In addition, the strength of the LME framework lies in its flexibility to model and estimate the variance-covariance structures for both random effects and residuals. The intraclass correlation (ICC) values can be easily obtained with an LME model with crossed random effects, even at the presence of confounding fixed effects. The simulations of one prototypical scenario indicate that the LME modeling keeps a balance between the control for false positives and the sensitivity
Directory of Open Access Journals (Sweden)
Radetić Maja M.
2004-01-01
Full Text Available Strict ecological legislation, especially in highly developed countries, imposed requirements for the purification of industrial effluents and the need for efficient oil clean up after sea and inland water spills. Although numerous processes have been developed, the application of sorbents is still one of the most efficient methods to remove heavy metal ions, dyes and crude oil from water. Recently, special attention was paid to sorbents based on natural fibres. A review of studies concerning the sorption properties of wool is presented in this paper. The presence of various functional groups on the wool fibre surface contributes to the efficient sorption of heavy metal ions and dyes. A hydrophobic, scaly surface and fibre crimp strongly influence the high sorption capacity of wool for oil. Wool has great sorption potential even as a recycled material. Accordingly, it can be used as a viable substitute to commercially available synthetic sorbents that show poor biodegradab ility.
Pedotransfer functions for isoproturon sorption on soils and vadose zone materials.
Moeys, Julien; Bergheaud, Valérie; Coquet, Yves
2011-10-01
Sorption coefficients (the linear K(D) or the non-linear K(F) and N(F)) are critical parameters in models of pesticide transport to groundwater or surface water. In this work, a dataset of isoproturon sorption coefficients and corresponding soil properties (264 K(D) and 55 K(F)) was compiled, and pedotransfer functions were built for predicting isoproturon sorption in soils and vadose zone materials. These were benchmarked against various other prediction methods. The results show that the organic carbon content (OC) and pH are the two main soil properties influencing isoproturon K(D) . The pedotransfer function is K(D) = 1.7822 + 0.0162 OC(1.5) - 0.1958 pH (K(D) in L kg(-1) and OC in g kg(-1)). For low-OC soils (OC isoproturon sorption in soils in unsampled locations should rely, whenever possible, and by order of preference, on (a) site- or soil-specific pedotransfer functions, (b) pedotransfer functions calibrated on a large dataset, (c) K(OC) values calculated on a large dataset or (d) K(OC) values taken from existing pesticide properties databases. Copyright © 2011 Society of Chemical Industry.
Direction of Effects in Multiple Linear Regression Models.
Wiedermann, Wolfgang; von Eye, Alexander
2015-01-01
Previous studies analyzed asymmetric properties of the Pearson correlation coefficient using higher than second order moments. These asymmetric properties can be used to determine the direction of dependence in a linear regression setting (i.e., establish which of two variables is more likely to be on the outcome side) within the framework of cross-sectional observational data. Extant approaches are restricted to the bivariate regression case. The present contribution extends the direction of dependence methodology to a multiple linear regression setting by analyzing distributional properties of residuals of competing multiple regression models. It is shown that, under certain conditions, the third central moments of estimated regression residuals can be used to decide upon direction of effects. In addition, three different approaches for statistical inference are discussed: a combined D'Agostino normality test, a skewness difference test, and a bootstrap difference test. Type I error and power of the procedures are assessed using Monte Carlo simulations, and an empirical example is provided for illustrative purposes. In the discussion, issues concerning the quality of psychological data, possible extensions of the proposed methods to the fourth central moment of regression residuals, and potential applications are addressed.
Linear model applied to the evaluation of pharmaceutical stability data
Directory of Open Access Journals (Sweden)
Renato Cesar Souza
2013-09-01
Full Text Available The expiry date on the packaging of a product gives the consumer the confidence that the product will retain its identity, content, quality and purity throughout the period of validity of the drug. The definition of this term in the pharmaceutical industry is based on stability data obtained during the product registration. By the above, this work aims to apply the linear regression according to the guideline ICH Q1E, 2003, to evaluate some aspects of a product undergoing in a registration phase in Brazil. With this propose, the evaluation was realized with the development center of a multinational company in Brazil, with samples of three different batches composed by two active principal ingredients in two different packages. Based on the preliminary results obtained, it was possible to observe the difference of degradation tendency of the product in two different packages and the relationship between the variables studied, added knowledge so new models of linear equations can be applied and developed for other products.
Fourth standard model family neutrino at future linear colliders
International Nuclear Information System (INIS)
Ciftci, A.K.; Ciftci, R.; Sultansoy, S.
2005-01-01
It is known that flavor democracy favors the existence of the fourth standard model (SM) family. In order to give nonzero masses for the first three-family fermions flavor democracy has to be slightly broken. A parametrization for democracy breaking, which gives the correct values for fundamental fermion masses and, at the same time, predicts quark and lepton Cabibbo-Kobayashi-Maskawa (CKM) matrices in a good agreement with the experimental data, is proposed. The pair productions of the fourth SM family Dirac (ν 4 ) and Majorana (N 1 ) neutrinos at future linear colliders with √(s)=500 GeV, 1 TeV, and 3 TeV are considered. The cross section for the process e + e - →ν 4 ν 4 (N 1 N 1 ) and the branching ratios for possible decay modes of the both neutrinos are determined. The decays of the fourth family neutrinos into muon channels (ν 4 (N 1 )→μ ± W ± ) provide cleanest signature at e + e - colliders. Meanwhile, in our parametrization this channel is dominant. W bosons produced in decays of the fourth family neutrinos will be seen in detector as either di-jets or isolated leptons. As an example, we consider the production of 200 GeV mass fourth family neutrinos at √(s)=500 GeV linear colliders by taking into account di-muon plus four jet events as signatures
Influence of the void fraction in the linear reactivity model
International Nuclear Information System (INIS)
Castillo, J.A.; Ramirez, J.R.; Alonso, G.
2003-01-01
The linear reactivity model allows the multicycle analysis in pressurized water reactors in a simple and quick way. In the case of the Boiling water reactors the void fraction it varies axially from 0% of voids in the inferior part of the fuel assemblies until approximately 70% of voids to the exit of the same ones. Due to this it is very important the determination of the average void fraction during different stages of the reactor operation to predict the burnt one appropriately of the same ones to inclination of the pattern of linear reactivity. In this work a pursuit is made of the profile of power for different steps of burnt of a typical operation cycle of a Boiling water reactor. Starting from these profiles it builds an algorithm that allows to determine the voids profile and this way to obtain the average value of the same one. The results are compared against those reported by the CM-PRESTO code that uses another method to carry out this calculation. Finally, the range in which is the average value of the void fraction during a typical cycle is determined and an estimate of the impact that it would have the use of this value in the prediction of the reactivity produced by the fuel assemblies is made. (Author)
The sorption of polonium, actinium and protactinium onto geological materials
International Nuclear Information System (INIS)
Baston, G.M.N.; Berry, J.A.; Brownsword, M.; Heath, T.G.; Ilett, D.J.; McCrohon, R.; Tweed, C.J.; Yui, M.
1999-01-01
This paper describes a combined experimental and modeling program of generic sorption studies to increase confidence in the performance assessment for a potential high-level radioactive waste repository in Japan. The sorption of polonium, actinium and protactinium onto geological materials has been investigated. Sorption of these radioelements onto bentonite, tuff and granodiorite from equilibrated de-ionized water was studied under reducing conditions at room temperature. In addition, the sorption of actinium and protactinium was investigated at 60 C. Thermodynamic chemical modeling was carried out to aid interpretation of the results
The sorption of polonium, actinium and protactinium onto geological materials
Energy Technology Data Exchange (ETDEWEB)
Baston, G.M.N.; Berry, J.A.; Brownsword, M.; Heath, T.G.; Ilett, D.J.; McCrohon, R.; Tweed, C.J.; Yui, M.
1999-07-01
This paper describes a combined experimental and modeling program of generic sorption studies to increase confidence in the performance assessment for a potential high-level radioactive waste repository in Japan. The sorption of polonium, actinium and protactinium onto geological materials has been investigated. Sorption of these radioelements onto bentonite, tuff and granodiorite from equilibrated de-ionized water was studied under reducing conditions at room temperature. In addition, the sorption of actinium and protactinium was investigated at 60 C. Thermodynamic chemical modeling was carried out to aid interpretation of the results.
Effect of competing cations on strontium sorption to surficial sediments
International Nuclear Information System (INIS)
Bunde, R.L.; Rosentreter, J.J.
1995-01-01
The following study was conducted to determine strontium distribution coefficients (K d 'S) of a surficial sediment at the Idaho National Engineering Laboratory (INEL), Idaho. Batch experimental techniques were used to determine K d 's which describe the partitioning of a solute between the solution and solid phase. A surficial sediment was mixed with synthesized aqueous solutions designed to chemically simulate wastewater disposed to infiltrations ponds near the Idaho Chemical Processing Plant at the INEL with respect to major ionic character and pH. The effects of variable concentrations of competing cations (sodium, potassium, calcium and magnesium) on strontium sorption were investigated at a fixed pH of 8.00. The pH of the natural system shows no appreciable variation, whereas a marked variability in cation concentration has been noted. Strontium sorption was impacted to a greater degree by the concentration of calcium and magnesium in solution than by the presence of sodium or potassium. However, extreme sodium solution concentrations of 1.0 to 5.0 g/L dramatically reduced strontium sorption. In all cases, strontium K d 's decreased as the concentration of calcium and magnesium in solution increased. Linear isotherm model K d 's ranged from 12.0 to 84.7 mL/g. Analysis of data from these experiments indicated that moderate concentrations of calcium and magnesium (less than 40 mg/L) and high concentrations of sodium (1.0 to 5.0 g/L) in wastewater increase strontium mobility by decreasing the sorption of strontium on surficial sediments beneath infiltration ponds at the INEL
Characteristics and Properties of a Simple Linear Regression Model
Directory of Open Access Journals (Sweden)
Kowal Robert
2016-12-01
Full Text Available A simple linear regression model is one of the pillars of classic econometrics. Despite the passage of time, it continues to raise interest both from the theoretical side as well as from the application side. One of the many fundamental questions in the model concerns determining derivative characteristics and studying the properties existing in their scope, referring to the first of these aspects. The literature of the subject provides several classic solutions in that regard. In the paper, a completely new design is proposed, based on the direct application of variance and its properties, resulting from the non-correlation of certain estimators with the mean, within the scope of which some fundamental dependencies of the model characteristics are obtained in a much more compact manner. The apparatus allows for a simple and uniform demonstration of multiple dependencies and fundamental properties in the model, and it does it in an intuitive manner. The results were obtained in a classic, traditional area, where everything, as it might seem, has already been thoroughly studied and discovered.
A simple non-linear model of immune response
International Nuclear Information System (INIS)
Gutnikov, Sergei; Melnikov, Yuri
2003-01-01
It is still unknown why the adaptive immune response in the natural immune system based on clonal proliferation of lymphocytes requires interaction of at least two different cell types with the same antigen. We present a simple mathematical model illustrating that the system with separate types of cells for antigen recognition and patogen destruction provides more robust adaptive immunity than the system where just one cell type is responsible for both recognition and destruction. The model is over-simplified as we did not have an intention of describing the natural immune system. However, our model provides a tool for testing the proposed approach through qualitative analysis of the immune system dynamics in order to construct more sophisticated models of the immune systems that exist in the living nature. It also opens a possibility to explore specific features of highly non-linear dynamics in nature-inspired computational paradigms like artificial immune systems and immunocomputing . We expect this paper to be of interest not only for mathematicians but also for biologists; therefore we made effort to explain mathematics in sufficient detail for readers without professional mathematical background
Non-linear scaling of a musculoskeletal model of the lower limb using statistical shape models.
Nolte, Daniel; Tsang, Chui Kit; Zhang, Kai Yu; Ding, Ziyun; Kedgley, Angela E; Bull, Anthony M J
2016-10-03
Accurate muscle geometry for musculoskeletal models is important to enable accurate subject-specific simulations. Commonly, linear scaling is used to obtain individualised muscle geometry. More advanced methods include non-linear scaling using segmented bone surfaces and manual or semi-automatic digitisation of muscle paths from medical images. In this study, a new scaling method combining non-linear scaling with reconstructions of bone surfaces using statistical shape modelling is presented. Statistical Shape Models (SSMs) of femur and tibia/fibula were used to reconstruct bone surfaces of nine subjects. Reference models were created by morphing manually digitised muscle paths to mean shapes of the SSMs using non-linear transformations and inter-subject variability was calculated. Subject-specific models of muscle attachment and via points were created from three reference models. The accuracy was evaluated by calculating the differences between the scaled and manually digitised models. The points defining the muscle paths showed large inter-subject variability at the thigh and shank - up to 26mm; this was found to limit the accuracy of all studied scaling methods. Errors for the subject-specific muscle point reconstructions of the thigh could be decreased by 9% to 20% by using the non-linear scaling compared to a typical linear scaling method. We conclude that the proposed non-linear scaling method is more accurate than linear scaling methods. Thus, when combined with the ability to reconstruct bone surfaces from incomplete or scattered geometry data using statistical shape models our proposed method is an alternative to linear scaling methods. Copyright © 2016 The Author. Published by Elsevier Ltd.. All rights reserved.
Sorption of organophosphate esters by carbon nanotubes
Energy Technology Data Exchange (ETDEWEB)
Yan, Wei; Yan, Li [State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085 (China); Duan, Jinming [School of Environmental and Municipal Engineering, Xi’an University of Architecture and Technology, Xi’an 710055 (China); Jing, Chuanyong, E-mail: cyjing@rcees.ac.cn [State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085 (China)
2014-05-01
Graphical abstract: The interfacial interactions between the OPE molecules and CNTs. - Highlights: • Oxygen-containing groups on CNTs change the sorption property for OPEs. • Molecular configuration of OPEs has insignificant impact on their sorption. • Hydrophobic, π–π EDA and Brønsted acid–base interaction occurred between the CNTs and OPEs. - Abstract: Insights from the molecular-level mechanism of sorption of organophosphate esters (OPEs) on carbon nanotubes (CNTs) can further our understanding of the fate and transport of OPEs in the environment. The motivation for our study was to explore the sorption process of OPEs on multi-walled CNTs (MWCNTs), single-walled CNTs (SWCNTs) and their oxidized counterparts (O-MWCNTs and O-SWCNTs), and its molecular mechanism over a wide concentration range. The sorption isotherm results revealed that the hydrophobicity of OPEs dominated their affinities on a given CNT and the π–π electron donor–acceptor (EDA) interaction also played an important role in the sorption of aromatic OPEs. This π–π EDA interaction, verified with Raman and FT-IR spectroscopy, could restrict the radial vibration of SWCNTs and affect the deformation vibration γ(CH) bands of OPE molecules. The OPE surface coverage on CNTs, estimated using the nonlinear Dubinin–Ashtakhov model, indicated that the oxygen-containing functional groups on CNTs could interact with water molecules by H-bonding, resulting in a decrease in effective sorption sites. In addition, FTIR analysis also confirmed the occurrence of Brønsted acid–base interactions between OPEs and surface OH groups of SWCNTs. Our results should provide mechanistic insights into the sorption mechanism of OPE contaminants on CNTs.
A Non-linear Stochastic Model for an Office Building with Air Infiltration
DEFF Research Database (Denmark)
Thavlov, Anders; Madsen, Henrik
2015-01-01
This paper presents a non-linear heat dynamic model for a multi-room office building with air infiltration. Several linear and non-linear models, with and without air infiltration, are investigated and compared. The models are formulated using stochastic differential equations and the model...
Distributing Correlation Coefficients of Linear Structure-Activity/Property Models
Directory of Open Access Journals (Sweden)
Sorana D. BOLBOACA
2011-12-01
Full Text Available Quantitative structure-activity/property relationships are mathematical relationships linking chemical structure and activity/property in a quantitative manner. These in silico approaches are frequently used to reduce animal testing and risk-assessment, as well as to increase time- and cost-effectiveness in characterization and identification of active compounds. The aim of our study was to investigate the pattern of correlation coefficients distribution associated to simple linear relationships linking the compounds structure with their activities. A set of the most common ordnance compounds found at naval facilities with a limited data set with a range of toxicities on aquatic ecosystem and a set of seven properties was studied. Statistically significant models were selected and investigated. The probability density function of the correlation coefficients was investigated using a series of possible continuous distribution laws. Almost 48% of the correlation coefficients proved fit Beta distribution, 40% fit Generalized Pareto distribution, and 12% fit Pert distribution.
Modeling and analysis of linearized wheel-rail contact dynamics
International Nuclear Information System (INIS)
Soomro, Z.
2014-01-01
The dynamics of the railway vehicles are nonlinear and depend upon several factors including vehicle speed, normal load and adhesion level. The presence of contaminants on the railway track makes them unpredictable too. Therefore in order to develop an effective control strategy it is important to analyze the effect of each factor on dynamic response thoroughly. In this paper a linearized model of a railway wheel-set is developed and is later analyzed by varying the speed and adhesion level by keeping the normal load constant. A wheel-set is the wheel-axle assembly of a railroad car. Patch contact is the study of the deformation of solids that touch each other at one or more points. (author)
Human visual modeling and image deconvolution by linear filtering
International Nuclear Information System (INIS)
Larminat, P. de; Barba, D.; Gerber, R.; Ronsin, J.
1978-01-01
The problem is the numerical restoration of images degraded by passing through a known and spatially invariant linear system, and by the addition of a stationary noise. We propose an improvement of the Wiener's filter to allow the restoration of such images. This improvement allows to reduce the important drawbacks of classical Wiener's filter: the voluminous data processing, the lack of consideration of the vision's characteristivs which condition the perception by the observer of the restored image. In a first paragraph, we describe the structure of the visual detection system and a modelling method of this system. In the second paragraph we explain a restoration method by Wiener filtering that takes the visual properties into account and that can be adapted to the local properties of the image. Then the results obtained on TV images or scintigrams (images obtained by a gamma-camera) are commented [fr
Convergence diagnostics for Eigenvalue problems with linear regression model
International Nuclear Information System (INIS)
Shi, Bo; Petrovic, Bojan
2011-01-01
Although the Monte Carlo method has been extensively used for criticality/Eigenvalue problems, a reliable, robust, and efficient convergence diagnostics method is still desired. Most methods are based on integral parameters (multiplication factor, entropy) and either condense the local distribution information into a single value (e.g., entropy) or even disregard it. We propose to employ the detailed cycle-by-cycle local flux evolution obtained by using mesh tally mechanism to assess the source and flux convergence. By applying a linear regression model to each individual mesh in a mesh tally for convergence diagnostics, a global convergence criterion can be obtained. We exemplify this method on two problems and obtain promising diagnostics results. (author)
A Dynamic Linear Modeling Approach to Public Policy Change
DEFF Research Database (Denmark)
Loftis, Matthew; Mortensen, Peter Bjerre
2017-01-01
Theories of public policy change, despite their differences, converge on one point of strong agreement. The relationship between policy and its causes can and does change over time. This consensus yields numerous empirical implications, but our standard analytical tools are inadequate for testing...... them. As a result, the dynamic and transformative relationships predicted by policy theories have been left largely unexplored in time-series analysis of public policy. This paper introduces dynamic linear modeling (DLM) as a useful statistical tool for exploring time-varying relationships in public...... policy. The paper offers a detailed exposition of the DLM approach and illustrates its usefulness with a time series analysis of U.S. defense policy from 1957-2010. The results point the way for a new attention to dynamics in the policy process and the paper concludes with a discussion of how...
Baryon and meson phenomenology in the extended Linear Sigma Model
Energy Technology Data Exchange (ETDEWEB)
Giacosa, Francesco; Habersetzer, Anja; Teilab, Khaled; Eshraim, Walaa; Divotgey, Florian; Olbrich, Lisa; Gallas, Susanna; Wolkanowski, Thomas; Janowski, Stanislaus; Heinz, Achim; Deinet, Werner; Rischke, Dirk H. [Institute for Theoretical Physics, J. W. Goethe University, Max-von-Laue-Str. 1, 60438 Frankfurt am Main (Germany); Kovacs, Peter; Wolf, Gyuri [Institute for Particle and Nuclear Physics, Wigner Research Center for Physics, Hungarian Academy of Sciences, H-1525 Budapest (Hungary); Parganlija, Denis [Institute for Theoretical Physics, Vienna University of Technology, Wiedner Hauptstr. 8-10, A-1040 Vienna (Austria)
2014-07-01
The vacuum phenomenology obtained within the so-called extended Linear Sigma Model (eLSM) is presented. The eLSM Lagrangian is constructed by including from the very beginning vector and axial-vector d.o.f., and by requiring dilatation invariance and chiral symmetry. After a general introduction of the approach, particular attention is devoted to the latest results. In the mesonic sector the strong decays of the scalar and the pseudoscalar glueballs, the weak decays of the tau lepton into vector and axial-vector mesons, and the description of masses and decays of charmed mesons are shown. In the baryonic sector the omega production in proton-proton scattering and the inclusion of baryons with strangeness are described.
Influence of soil properties on vapor-phase sorption of trichloroethylene
International Nuclear Information System (INIS)
Bekele, Dawit N.; Naidu, Ravi; Chadalavada, Sreenivasulu
2016-01-01
Highlights: • Vapor intrusion is a major exposure pathway for volatile hydrocarbons. • Certainty in transport processes enhances vapor intrusion model precision. • Detailed understanding of vadose zone vapor transport processes save resources. • Vapor sorption near-steady-state conditions at sites may take months or years. • Type of clay fractions equitably affects sorption of trichloroethylene vapor. - Abstract: Current practices in health risk assessment from vapor intrusion (VI) using mathematical models are based on assumptions that the subsurface sorption equilibrium is attained. The time required for sorption to reach near-steady-state conditions at sites may take months or years to achieve. This study investigated the vapor phase attenuation of trichloroethylene (TCE) in five soils varying widely in clay and organic matter content using repacked columns. The primary indicators of TCE sorption were vapor retardation rate (R_t), the time required for the TCE vapor to pass through the soil column, and specific volume of retention (V_R), and total volume of TCE retained in soil. Results show TCE vapor retardation is mainly due to the rapid partitioning of the compound to SOM. However, the specific volume of retention of clayey soils with secondary mineral particles was higher. Linear regression analyses of the SOM and clay fraction with V_R show that a unit increase in clay fraction results in higher sorption of TCE (V_R) than the SOM. However, partitioning of TCE vapor was not consistent with the samples' surface areas but was mainly a function of the type of secondary minerals present in soils.
Influence of soil properties on vapor-phase sorption of trichloroethylene
Energy Technology Data Exchange (ETDEWEB)
Bekele, Dawit N. [Global Center for Environmental Remediation, University of Newcastle, Callaghan, NSW 2308 (Australia); CRC for Contamination Assessment & Remediation of the Environment, Building X (Environmental Sciences Building), University of South Australia, Mawson Lakes, SA 5095 (Australia); Naidu, Ravi, E-mail: Ravi.Naidu@newcastle.edu.au [Global Center for Environmental Remediation, University of Newcastle, Callaghan, NSW 2308 (Australia); CRC for Contamination Assessment & Remediation of the Environment, Building X (Environmental Sciences Building), University of South Australia, Mawson Lakes, SA 5095 (Australia); Chadalavada, Sreenivasulu [Global Center for Environmental Remediation, University of Newcastle, Callaghan, NSW 2308 (Australia); CRC for Contamination Assessment & Remediation of the Environment, Building X (Environmental Sciences Building), University of South Australia, Mawson Lakes, SA 5095 (Australia)
2016-04-05
Highlights: • Vapor intrusion is a major exposure pathway for volatile hydrocarbons. • Certainty in transport processes enhances vapor intrusion model precision. • Detailed understanding of vadose zone vapor transport processes save resources. • Vapor sorption near-steady-state conditions at sites may take months or years. • Type of clay fractions equitably affects sorption of trichloroethylene vapor. - Abstract: Current practices in health risk assessment from vapor intrusion (VI) using mathematical models are based on assumptions that the subsurface sorption equilibrium is attained. The time required for sorption to reach near-steady-state conditions at sites may take months or years to achieve. This study investigated the vapor phase attenuation of trichloroethylene (TCE) in five soils varying widely in clay and organic matter content using repacked columns. The primary indicators of TCE sorption were vapor retardation rate (R{sub t}), the time required for the TCE vapor to pass through the soil column, and specific volume of retention (V{sub R}), and total volume of TCE retained in soil. Results show TCE vapor retardation is mainly due to the rapid partitioning of the compound to SOM. However, the specific volume of retention of clayey soils with secondary mineral particles was higher. Linear regression analyses of the SOM and clay fraction with V{sub R} show that a unit increase in clay fraction results in higher sorption of TCE (V{sub R}) than the SOM. However, partitioning of TCE vapor was not consistent with the samples' surface areas but was mainly a function of the type of secondary minerals present in soils.
Sorption of Atrazine in Tropical Soil by Biochar Prepared from Cassava Waste
Directory of Open Access Journals (Sweden)
Hui Deng
2014-09-01
Full Text Available Biochar (BC is a carbonaceous and porous product generated from the incomplete combustion of biomass and has been recognized as an efficient adsorbent. This study evaluated the ability of BC to sorb atrazine pesticide in tropical soil, and explored potential environmental values of BC on mitigating organic micro-pollutants. BC was produced from cassava waste via pyrolyzation under oxygen-limiting conditions at 350, 550, and 750 °C (MS350, MS550, and MS750, respectively. Three biochars were characterized and investigated as sorbents for the removal atrazine from tropical soil. BC pyrolyzed at higher temperatures more quickly reached equilibrium. The pseudo-second-order model perfectly simulated the sorption kinetics for atrazine with the coefficients R2 above 0.996, and the sorption amount at equilibrium (qe was 0.016 mg/g for MS350, 0.025 mg/g for MS550 and 0.050 mg/g for MS750. The isotherms of MS350 displayed relatively linear behavior, whereas the sorption of atrazine on MS550 and MS750 followed a nonlinear isotherm. The sorption data were well described by the Freundlich model with logKF of 0.476 for MS350, 0.771 for MS550, 1.865 for MS750. A thermodynamic study indicated that the sorption of atrazine in BC-added soil was a spontaneous and endothermic process and was primarily controlled by physisorption. In addition, lower pH was conducive to the sorption of atrazine in BC-added soil.
Imidacloprid sorption and transport in cropland, grass buffer and riparian buffer soils
Satkowski, Laura E.; Goyne, Keith W.; Anderson, Stephen H.; Lerch, Robert N.; Allen, Craig R.; Snow, Daniel D.
2018-01-01
An understanding of neonicotinoid sorption and transport in soil is critical for determining and mitigating environmental risk associated with the most widely used class of insecticides. The objective of this study was to evaluate mobility and transport of the neonicotinoid imidacloprid (ICD) in soils collected from cropland, grass vegetative buffer strip (VBS), and riparian VBS soils. Soils were collected at six randomly chosen sites within grids that encompassed all three land uses. Single-point equilibrium batch sorption experiments were conducted using radio-labeled (14C) ICD to determine solid–solution partition coefficients (Kd). Column experiments were conducted using soils collected from the three vegetation treatments at one site by packing soil into glass columns. Water flow was characterized by applying Br− as a nonreactive tracer. A single pulse of 14C-ICD was then applied, and ICD leaching was monitored for up to 45 d. Bromide and ICD breakthrough curves for each column were simulated using CXTFIT and HYDRUS-1D models. Sorption results indicated that ICD sorbs more strongly to riparian VBS (Kd = 22.6 L kg−1) than crop (Kd = 11.3 L kg−1) soils. Soil organic C was the strongest predictor of ICD sorption (p < 0.0001). The column transport study found mean peak concentrations of ICD at 5.83, 10.84, and 23.8 pore volumes for crop, grass VBS, and riparian VBS soils, respectively. HYDRUS-1D results indicated that the two-site, one-rate linear reversible model best described results of the breakthrough curves, indicating the complexity of ICD sorption and demonstrating its mobility in soil. Greater sorption and longer retention by the grass and riparian VBS soils than the cropland soil suggests that VBS may be a viable means to mitigate ICD loss from agroecosystems, thereby preventing ICD transport into surface water, groundwater, or drinking water resources.
Non Abelian T-duality in Gauged Linear Sigma Models
Bizet, Nana Cabo; Martínez-Merino, Aldo; Zayas, Leopoldo A. Pando; Santos-Silva, Roberto
2018-04-01
Abelian T-duality in Gauged Linear Sigma Models (GLSM) forms the basis of the physical understanding of Mirror Symmetry as presented by Hori and Vafa. We consider an alternative formulation of Abelian T-duality on GLSM's as a gauging of a global U(1) symmetry with the addition of appropriate Lagrange multipliers. For GLSMs with Abelian gauge groups and without superpotential we reproduce the dual models introduced by Hori and Vafa. We extend the construction to formulate non-Abelian T-duality on GLSMs with global non-Abelian symmetries. The equations of motion that lead to the dual model are obtained for a general group, they depend in general on semi-chiral superfields; for cases such as SU(2) they depend on twisted chiral superfields. We solve the equations of motion for an SU(2) gauged group with a choice of a particular Lie algebra direction of the vector superfield. This direction covers a non-Abelian sector that can be described by a family of Abelian dualities. The dual model Lagrangian depends on twisted chiral superfields and a twisted superpotential is generated. We explore some non-perturbative aspects by making an Ansatz for the instanton corrections in the dual theories. We verify that the effective potential for the U(1) field strength in a fixed configuration on the original theory matches the one of the dual theory. Imposing restrictions on the vector superfield, more general non-Abelian dual models are obtained. We analyze the dual models via the geometry of their susy vacua.
A comparison of linear interpolation models for iterative CT reconstruction.
Hahn, Katharina; Schöndube, Harald; Stierstorfer, Karl; Hornegger, Joachim; Noo, Frédéric
2016-12-01
Recent reports indicate that model-based iterative reconstruction methods may improve image quality in computed tomography (CT). One difficulty with these methods is the number of options available to implement them, including the selection of the forward projection model and the penalty term. Currently, the literature is fairly scarce in terms of guidance regarding this selection step, whereas these options impact image quality. Here, the authors investigate the merits of three forward projection models that rely on linear interpolation: the distance-driven method, Joseph's method, and the bilinear method. The authors' selection is motivated by three factors: (1) in CT, linear interpolation is often seen as a suitable trade-off between discretization errors and computational cost, (2) the first two methods are popular with manufacturers, and (3) the third method enables assessing the importance of a key assumption in the other methods. One approach to evaluate forward projection models is to inspect their effect on discretized images, as well as the effect of their transpose on data sets, but significance of such studies is unclear since the matrix and its transpose are always jointly used in iterative reconstruction. Another approach is to investigate the models in the context they are used, i.e., together with statistical weights and a penalty term. Unfortunately, this approach requires the selection of a preferred objective function and does not provide clear information on features that are intrinsic to the model. The authors adopted the following two-stage methodology. First, the authors analyze images that progressively include components of the singular value decomposition of the model in a reconstructed image without statistical weights and penalty term. Next, the authors examine the impact of weights and penalty on observed differences. Image quality metrics were investigated for 16 different fan-beam imaging scenarios that enabled probing various aspects
Sorption of polycyclic aromatic hydrocarbons on particulate organic matters
International Nuclear Information System (INIS)
Guo Xueyan; Luo Lei; Ma Yibing; Zhang Shuzhen
2010-01-01
Particulate organic matter (POM) is a key organic matter fraction which can influence soil fertility. Its interactions with hydrophobic organic pollutants (HOCs) have not been characterized and the mechanisms of retention of HOCs by POM remain unclear. In the present study, sorption behaviors of polycyclic aromatic hydrocarbons (PAHs) naphthalene (NAP), phenanthrene (PHE), and pyrene (PYR) by POMs separated from different soils were examined and the POMs were characterized by elemental analysis, solid state 13 C NMR, and Fourier transform infrared spectroscopy (FT-IR). The results indicated that POMs were mainly composed of aliphatic components with high polarity. The different original POMs showed similar chemical composition and configuration. Sorption behaviors of PAHs indicated that there was no significant difference in sorption capacity among the POMs. Sorption of NAP and PHE by POMs displayed a nonlinear isotherm, while sorption of PYR yielded a linear isotherm. No significant hysteresis and ionic strength effect were observed for PAH desorption from the POMs.
Sorption behaviour of cobalt-60 on Suez Canal bottom sediments
International Nuclear Information System (INIS)
Abdel Gawad, S.A.; El-Shinawy, R.M.K.; Abdel Malik, W.E.Y.
1981-01-01
Mineralogical, elemental analysis and sorption behaviour of the Suez Canal bottom sediments in the Port Said area were investigated. It was found that the bottom sediment consist mainly of quartz, feldspars and traces of calcite mineral. The cation-exchange capacity was found to increase as the particle size of the sediment decreased. Sorption of 60 Co by the bottom sediment increased with contact time up to 6 h. Variation of the solution pH from 4 to 9 showed limited increase in the sorption of 60 Co. As carrier concentrations increase from 10 -7 N to 10 -3 N, sorption of Co was found to increase linearly following Freundlich isotherm. The presence of Mg 2+ and Fe 3+ in solution depressed the sorption of 60 Co by the sediments. The desorption of 60 Co from bottom sediment with distilled and Suez Canal water was found to increase with contact time. (author)
Optimizing Biorefinery Design and Operations via Linear Programming Models
Energy Technology Data Exchange (ETDEWEB)
Talmadge, Michael; Batan, Liaw; Lamers, Patrick; Hartley, Damon; Biddy, Mary; Tao, Ling; Tan, Eric
2017-03-28
The ability to assess and optimize economics of biomass resource utilization for the production of fuels, chemicals and power is essential for the ultimate success of a bioenergy industry. The team of authors, consisting of members from the National Renewable Energy Laboratory (NREL) and the Idaho National Laboratory (INL), has developed simple biorefinery linear programming (LP) models to enable the optimization of theoretical or existing biorefineries. The goal of this analysis is to demonstrate how such models can benefit the developing biorefining industry. It focuses on a theoretical multi-pathway, thermochemical biorefinery configuration and demonstrates how the biorefinery can use LP models for operations planning and optimization in comparable ways to the petroleum refining industry. Using LP modeling tools developed under U.S. Department of Energy's Bioenergy Technologies Office (DOE-BETO) funded efforts, the authors investigate optimization challenges for the theoretical biorefineries such as (1) optimal feedstock slate based on available biomass and prices, (2) breakeven price analysis for available feedstocks, (3) impact analysis for changes in feedstock costs and product prices, (4) optimal biorefinery operations during unit shutdowns / turnarounds, and (5) incentives for increased processing capacity. These biorefinery examples are comparable to crude oil purchasing and operational optimization studies that petroleum refiners perform routinely using LPs and other optimization models. It is important to note that the analyses presented in this article are strictly theoretical and they are not based on current energy market prices. The pricing structure assigned for this demonstrative analysis is consistent with $4 per gallon gasoline, which clearly assumes an economic environment that would favor the construction and operation of biorefineries. The analysis approach and examples provide valuable insights into the usefulness of analysis tools for
Investigation of metal ions sorption of brown peat moss powder
Kelus, Nadezhda; Blokhina, Elena; Novikov, Dmitry; Novikova, Yaroslavna; Chuchalin, Vladimir
2017-11-01
For regularities research of sorptive extraction of heavy metal ions by cellulose and its derivates from aquatic solution of electrolytes it is necessary to find possible mechanism of sorption process and to choice a model describing this process. The present article investigates the regularities of aliovalent metals sorption on brown peat moss powder. The results show that sorption isotherm of Al3+ ions is described by Freundlich isotherm and sorption isotherms of Na+ i Ni2+ are described by Langmuir isotherm. To identify the mechanisms of brown peat moss powder sorption the IR-spectra of the initial brown peat moss powder samples and brown peat moss powder samples after Ni (II) sorption were studied. Metal ion binding mechanisms by brown peat moss powder points to ion exchange, physical adsorption, and complex formation with hydroxyl and carboxyl groups.
Linear models for sound from supersonic reacting mixing layers
Chary, P. Shivakanth; Samanta, Arnab
2016-12-01
We perform a linearized reduced-order modeling of the aeroacoustic sound sources in supersonic reacting mixing layers to explore their sensitivities to some of the flow parameters in radiating sound. Specifically, we investigate the role of outer modes as the effective flow compressibility is raised, when some of these are expected to dominate over the traditional Kelvin-Helmholtz (K-H) -type central mode. Although the outer modes are known to be of lesser importance in the near-field mixing, how these radiate to the far-field is uncertain, on which we focus. On keeping the flow compressibility fixed, the outer modes are realized via biasing the respective mean densities of the fast (oxidizer) or slow (fuel) side. Here the mean flows are laminar solutions of two-dimensional compressible boundary layers with an imposed composite (turbulent) spreading rate, which we show to significantly alter the growth of instability waves by saturating them earlier, similar to in nonlinear calculations, achieved here via solving the linear parabolized stability equations. As the flow parameters are varied, instability of the slow modes is shown to be more sensitive to heat release, potentially exceeding equivalent central modes, as these modes yield relatively compact sound sources with lesser spreading of the mixing layer, when compared to the corresponding fast modes. In contrast, the radiated sound seems to be relatively unaffected when the mixture equivalence ratio is varied, except for a lean mixture which is shown to yield a pronounced effect on the slow mode radiation by reducing its modal growth.
Linear programming model can explain respiration of fermentation products
Möller, Philip; Liu, Xiaochen; Schuster, Stefan
2018-01-01
Many differentiated cells rely primarily on mitochondrial oxidative phosphorylation for generating energy in the form of ATP needed for cellular metabolism. In contrast most tumor cells instead rely on aerobic glycolysis leading to lactate to about the same extent as on respiration. Warburg found that cancer cells to support oxidative phosphorylation, tend to ferment glucose or other energy source into lactate even in the presence of sufficient oxygen, which is an inefficient way to generate ATP. This effect also occurs in striated muscle cells, activated lymphocytes and microglia, endothelial cells and several mammalian cell types, a phenomenon termed the “Warburg effect”. The effect is paradoxical at first glance because the ATP production rate of aerobic glycolysis is much slower than that of respiration and the energy demands are better to be met by pure oxidative phosphorylation. We tackle this question by building a minimal model including three combined reactions. The new aspect in extension to earlier models is that we take into account the possible uptake and oxidation of the fermentation products. We examine the case where the cell can allocate protein on several enzymes in a varying distribution and model this by a linear programming problem in which the objective is to maximize the ATP production rate under different combinations of constraints on enzymes. Depending on the cost of reactions and limitation of the substrates, this leads to pure respiration, pure fermentation, and a mixture of respiration and fermentation. The model predicts that fermentation products are only oxidized when glucose is scarce or its uptake is severely limited. PMID:29415045
Linear programming model can explain respiration of fermentation products.
Möller, Philip; Liu, Xiaochen; Schuster, Stefan; Boley, Daniel
2018-01-01
Many differentiated cells rely primarily on mitochondrial oxidative phosphorylation for generating energy in the form of ATP needed for cellular metabolism. In contrast most tumor cells instead rely on aerobic glycolysis leading to lactate to about the same extent as on respiration. Warburg found that cancer cells to support oxidative phosphorylation, tend to ferment glucose or other energy source into lactate even in the presence of sufficient oxygen, which is an inefficient way to generate ATP. This effect also occurs in striated muscle cells, activated lymphocytes and microglia, endothelial cells and several mammalian cell types, a phenomenon termed the "Warburg effect". The effect is paradoxical at first glance because the ATP production rate of aerobic glycolysis is much slower than that of respiration and the energy demands are better to be met by pure oxidative phosphorylation. We tackle this question by building a minimal model including three combined reactions. The new aspect in extension to earlier models is that we take into account the possible uptake and oxidation of the fermentation products. We examine the case where the cell can allocate protein on several enzymes in a varying distribution and model this by a linear programming problem in which the objective is to maximize the ATP production rate under different combinations of constraints on enzymes. Depending on the cost of reactions and limitation of the substrates, this leads to pure respiration, pure fermentation, and a mixture of respiration and fermentation. The model predicts that fermentation products are only oxidized when glucose is scarce or its uptake is severely limited.
Experimental study of strontium sorption on fissure filling material
Energy Technology Data Exchange (ETDEWEB)
Eriksen, T E; Cui, Daqing [Royal Institute of Technology, Stockholm (Sweden). Dept. of Chemistry
1994-12-01
We have carried out a comparative study of sorption and desorption of strontium in groundwater on separated magnetic and size fractions of fissure filling material taken from natural fissures in granitic rock. Complete reversibility of the sorption process was demonstrated by identical Freundlich isotherms, isotopic exchangeability and pH dependence of the distribution coefficients Rd. The sorption was found to be strongly pH dependent in the range 3-11. The pH effect can be accommodated in the sorption model by considering the surface areas and surface charges of the minerals in the fissure filling material. 20 refs, 9 figs, 3 tabs.
Experimental study of strontium sorption on fissure filling material
International Nuclear Information System (INIS)
Eriksen, T.E.; Cui, Daqing
1994-12-01
We have carried out a comparative study of sorption and desorption of strontium in groundwater on separated magnetic and size fractions of fissure filling material taken from natural fissures in granitic rock. Complete reversibility of the sorption process was demonstrated by identical Freundlich isotherms, isotopic exchangeability and pH dependence of the distribution coefficients Rd. The sorption was found to be strongly pH dependent in the range 3-11. The pH effect can be accommodated in the sorption model by considering the surface areas and surface charges of the minerals in the fissure filling material. 20 refs, 9 figs, 3 tabs
Transport coefficients from SU(3) Polyakov linear-σ model
International Nuclear Information System (INIS)
Tawfik, A.; Diab, A.
2015-01-01
In the mean field approximation, the grand potential of SU(3) Polyakov linear-σ model (PLSM) is analyzed for the order parameter of the light and strange chiral phase-transitions, σ l and σ s , respectively, and for the deconfinement order parameters φ and φ*. Furthermore, the subtracted condensate Δ l,s and the chiral order-parameters M b are compared with lattice QCD calculations. By using the dynamical quasiparticle model (DQPM), which can be considered as a system of noninteracting massive quasiparticles, we have evaluated the decay width and the relaxation time of quarks and gluons. In the framework of LSM and with Polyakov loop corrections included, the interaction measure Δ/T 4 , the specific heat c v and speed of sound squared c s 2 have been determined, as well as the temperature dependence of the normalized quark number density n q /T 3 and the quark number susceptibilities χ q /T 2 at various values of the baryon chemical potential. The electric and heat conductivity, σ e and κ, and the bulk and shear viscosities normalized to the thermal entropy, ζ/s and η/s, are compared with available results of lattice QCD calculations.