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Sample records for solution diffusion probed

  1. A new scaling for the rotational diffusion of molecular probes in polymer solutions.

    Science.gov (United States)

    Qing, Jing; Chen, Anpu; Zhao, Nanrong

    2017-12-13

    In the present work, we propose a new scaling form for the rotational diffusion coefficient of molecular probes in semi-dilute polymer solutions, based on a theoretical study. The mean-field theory for depletion effect and semi-empirical scaling equation for the macroscopic viscosity of polymer solutions are properly incorporated to specify the space-dependent concentration and viscosity profiles in the vicinity of the probe surface. Following the scheme of classical fluid mechanics, we numerically evaluate the shear torque exerted on the probes, which then allows us to further calculate the rotational diffusion coefficient D r . Particular attention is given to the scaling behavior of the retardation factor R rot ≡ D/D r with D being the diffusion coefficient in pure solvent. We find that R rot has little relevance to the macroscopic viscosity of the polymer solution, while it can be well featured by the characteristic length scale r h /δ, i.e. the ratio between the hydrodynamic radius of the probe r h and the depletion thickness δ. Correspondingly, we obtain a novel scaling form for the rotational retardation factor, following R rot = exp[a(r h /δ) b ] with rather robust parameters of a ≃ 0.51 and b ≃ 0.56. We apply the theory to an extensive calculation for various probes in specific polymer solutions of poly(ethylene glycol) (PEG) and dextran. Our theoretical results show good agreements with the experimental data, and clearly demonstrate the validity of the new scaling form. In addition, the difference of the scaling behavior between translational and rotational diffusions is clarified, from which we conclude that the depletion effect plays a more significant role on the local rotational diffusion rather than the long-range translation diffusion.

  2. Probing the Interplay of Size, Shape, and Solution Environment in Macromolecular Diffusion Using a Simple Refraction Experiment

    Science.gov (United States)

    Mankidy, Bijith D.; Coutinho, Cecil A.; Gupta, Vinay K.

    2010-01-01

    The diffusion coefficient of polymers is a critical parameter in biomedicine, catalysis, chemical separations, nanotechnology, and other industrial applications. Here, measurement of macromolecular diffusion in solutions is described using a visually instructive, undergraduate-level optical refraction experiment based on Weiner's method. To…

  3. Solute diffusivity in undisturbed soil

    DEFF Research Database (Denmark)

    Lægdsmand, Mette; Møldrup, Per; Schjønning, Per

    2012-01-01

    Solute diffusivity in soil plays a major role in many important processes with relation to plant growth and environmental issues. Soil solute diffusivity is affected by the volumetric water content as well as the morphological characteristics of water-filled pores. The solute diffusivity in intact...

  4. Nanoscale Rheology and Anisotropic Diffusion Using Single Gold Nanorod Probes

    Science.gov (United States)

    Molaei, Mehdi; Atefi, Ehsan; Crocker, John C.

    2018-03-01

    The complex rotational and translational Brownian motion of anisotropic particles depends on their shape and the viscoelasticity of their surroundings. Because of their strong optical scattering and chemical versatility, gold nanorods would seem to provide the ultimate probes of rheology at the nanoscale, but the suitably accurate orientational tracking required to compute rheology has not been demonstrated. Here we image single gold nanorods with a laser-illuminated dark-field microscope and use optical polarization to determine their three-dimensional orientation to better than one degree. We convert the rotational diffusion of single nanorods in viscoelastic polyethylene glycol solutions to rheology and obtain excellent agreement with bulk measurements. Extensions of earlier models of anisotropic translational diffusion to three dimensions and viscoelastic fluids give excellent agreement with the observed motion of single nanorods. We find that nanorod tracking provides a uniquely capable approach to microrheology and provides a powerful tool for probing nanoscale dynamics and structure in a range of soft materials.

  5. Probing the diffuse interstellar medium with diffuse interstellar bands

    Science.gov (United States)

    Theodorus van Loon, Jacco; Bailey, Mandy; Farhang, Amin; Javadi, Atefeh; Khosroshahi, Habib

    2015-08-01

    For a century already, a large number of absorption bands have been known at optical wavelengths, called the diffuse interstellar bands (DIBs). While their carriers remain unidentified, the relative strengths of these bands in various environments make them interesting new probes of the diffuse interstellar medium (ISM). We present the results from two large, dedicated campaigns to map the ISM using DIBs measured in the high signal-to-noise spectra of hundreds of early-type stars: [1] in and around the Local Bubble using ESO's New Technology Telescope and the Isaac Newton Telescope, and [2] across both Magellanic Clouds using the Very Large Telescope and the Anglo-Australian Telescope. We discuss the implications for the structure and dynamics of the ISM, as well as the constraints these maps place on the nature of the carriers of the DIBs. Partial results have appeared in the recent literature (van Loon et al. 2013; Farhang et al. 2015a,b; Bailey, PhD thesis 2014) with the remainder being prepared for publication now.

  6. Diffusion of aqueous solutions of ionic, zwitterionic, and polar solutes

    Science.gov (United States)

    Teng, Xiaojing; Huang, Qi; Dharmawardhana, Chamila Chathuranga; Ichiye, Toshiko

    2018-06-01

    The properties of aqueous solutions of ionic, zwitterionic, and polar solutes are of interest to many fields. For instance, one of the many anomalous properties of aqueous solutions is the behavior of water diffusion in different monovalent salt solutions. In addition, solutes can affect the stabilities of macromolecules such as proteins in aqueous solution. Here, the diffusivities of aqueous solutions of sodium chloride, potassium chloride, tri-methylamine oxide (TMAO), urea, and TMAO-urea are examined in molecular dynamics simulations. The decrease in the diffusivity of water with the concentration of simple ions and urea can be described by a simple model in which the water molecules hydrogen bonded to the solutes are considered to diffuse at the same rate as the solutes, while the remainder of the water molecules are considered to be bulk and diffuse at almost the same rate as pure water. On the other hand, the decrease in the diffusivity of water with the concentration of TMAO is apparently affected by a decrease in the diffusion rate of the bulk water molecules in addition to the decrease due to the water molecules hydrogen bonded to TMAO. In other words, TMAO enhances the viscosity of water, while urea barely affects it. Overall, this separation of water molecules into those that are hydrogen bonded to solute and those that are bulk can provide a useful means of understanding the short- and long-range effects of solutes on water.

  7. Diffusion coefficients of paracetamol in aqueous solutions

    International Nuclear Information System (INIS)

    Ribeiro, Ana C.F.; Barros, Marisa C.F.; Veríssimo, Luís M.P.; Santos, Cecilia I.A.V.; Cabral, Ana M.T.D.P.V.; Gaspar, Gualter D.; Esteso, Miguel A.

    2012-01-01

    Highlights: ► Mutual diffusion coefficients of paracetamol in aqueous dilute solutions. ► Influence of the thermodynamic factors on the variation of their mutual diffusion coefficients. ► Estimation of the mutual limiting diffusion coefficients of the molecular, D m 0 , and ionized forms, D ± 0 , of this drug. - Abstract: Binary mutual diffusion coefficients measured by the Taylor dispersion method, for aqueous solutions of paracetamol (PA) at concentrations from (0.001 to 0.050) mol·dm −3 at T = 298.15 K, are reported. From the Nernst–Hartley equation and our experimental results, the limiting diffusion coefficient of this drug and its thermodynamic factors are estimated, thereby contributing in this way to a better understanding of the structure of such systems and of their thermodynamic behaviour in aqueous solution at different concentrations.

  8. A Simple Refraction Experiment for Probing Diffusion in Ternary Mixtures

    Science.gov (United States)

    Coutinho, Cecil A.; Mankidy, Bijith D.; Gupta, Vinay K.

    2010-01-01

    Diffusion is a fundamental phenomenon that is vital in many chemical processes such as mass transport in living cells, corrosion, and separations. We describe a simple undergraduate-level experiment based on Weiner's Method to probe diffusion in a ternary aqueous mixture of small molecular-weight molecules. As an illustration, the experiment…

  9. Analytical solutions to matrix diffusion problems

    Energy Technology Data Exchange (ETDEWEB)

    Kekäläinen, Pekka, E-mail: pekka.kekalainen@helsinki.fi [Laboratory of Radiochemistry, Department of Chemistry, P.O. Box 55, FIN-00014 University of Helsinki (Finland)

    2014-10-06

    We report an analytical method to solve in a few cases of practical interest the equations which have traditionally been proposed for the matrix diffusion problem. In matrix diffusion, elements dissolved in ground water can penetrate the porous rock surronuding the advective flow paths. In the context of radioactive waste repositories this phenomenon provides a mechanism by which the area of rock surface in contact with advecting elements is greatly enhanced, and can thus be an important delay mechanism. The cases solved are relevant for laboratory as well for in situ experiments. Solutions are given as integral representations well suited for easy numerical solution.

  10. Diffusion probe for gas sampling in undisturbed soil

    DEFF Research Database (Denmark)

    Petersen, Søren O

    2014-01-01

    Soil-atmosphere fluxes of trace gases such as methane (CH4) and nitrous oxide (N2O) are determined by complex interactions between biological activity and soil conditions. Soil gas concentration profiles may, in combination with other information about soil conditions, help to understand emission...... controls. This note describes a simple and robust diffusion probe for soil gas sampling as part of flux monitoring programs. It can be deployed with minimum disturbance of in-situ conditions, also at sites with a high or fluctuating water table. Separate probes are used for each sampling depth...... on peat soils used for grazing showed soil gas concentrations of CH4 and N2O as influenced by topography, site conditions, and season. The applicability of the diffusion probe for trace gas monitoring is discussed....

  11. Numerical solutions of diffusive logistic equation

    International Nuclear Information System (INIS)

    Afrouzi, G.A.; Khademloo, S.

    2007-01-01

    In this paper we investigate numerically positive solutions of a superlinear Elliptic equation on bounded domains. The study of Diffusive logistic equation continues to be an active field of research. The subject has important applications to population migration as well as many other branches of science and engineering. In this paper the 'finite difference scheme' will be developed and compared for solving the one- and three-dimensional Diffusive logistic equation. The basis of the analysis of the finite difference equations considered here is the modified equivalent partial differential equation approach, developed from many authors these years

  12. Solutions for a non-Markovian diffusion equation

    International Nuclear Information System (INIS)

    Lenzi, E.K.; Evangelista, L.R.; Lenzi, M.K.; Ribeiro, H.V.; Oliveira, E.C. de

    2010-01-01

    Solutions for a non-Markovian diffusion equation are investigated. For this equation, we consider a spatial and time dependent diffusion coefficient and the presence of an absorbent term. The solutions exhibit an anomalous behavior which may be related to the solutions of fractional diffusion equations and anomalous diffusion.

  13. Counterion self-diffusion in polyelectrolyte solutions

    Science.gov (United States)

    Schipper, F. J. M.; Hollander, J. G.; Leyte, J. C.

    1997-12-01

    The self-diffusion coefficient of 0953-8984/9/50/019/img1, tetra-methylammonium 0953-8984/9/50/019/img2, tetra-ethylammonium 0953-8984/9/50/019/img3, tetra-propylammonium 0953-8984/9/50/019/img4 and tetra-butylammonium 0953-8984/9/50/019/img5 in solutions of the weak polymethacrylic acid (PMA) were measured with PFG NMR. No additional salt was present in any of the experiments. The polyion concentration and degree of neutralization were varied. The maximum relative counterion self-diffusion coefficient against polyion concentration, that was reported earlier, was observed for both alkali and tetra-alkylammonium 0953-8984/9/50/019/img6 counterions. We propose that the maximum is due to the combination of the obstruction by the polyion and the changing counterion distribution at increasing polyion concentration. An explanation of this proposal is offered in terms of the Poisson - Boltzmann - Smoluchowski (PBS) model for polyelectrolytes. Qualitative agreement of this model with experiment was found for the dependence of the counterion self-diffusion coefficient on the degree of neutralization of the polyion, on counterion radius and on polyion concentration, over a concentration range from 0.01 to 1 0953-8984/9/50/019/img7. Adaption of the theoretical obstruction, to fit the self-diffusion data of the solvent, also greatly improves the model predictions on the counterion self-diffusion.

  14. Rotational and translational diffusions of fluorescent probes during gelation process

    Science.gov (United States)

    Hattori, Yusuke; Panizza, Pascal; Letamendia, Louis; Ushiki, Hideharu

    2006-04-01

    Gelation process has been investigated by using light scattering techniques in recent years. We measured both of rotational and translational motions of fluorescent probes during gelation process. The measurements were performed after the temperature quenched at 30 °C. As the results, rotational diffusion coefficient of fluorescein was decreased after 6.0 × 10 4 s and energy transfer rate was reduced after 2.0 × 10 4 s. We sorted the gelation process into the following three parts, (I) pre-gelation, (II) reduction of translational diffusion (aging), and (III) reduction of rotational diffusion with saturating translational diffusion (post-gelation). The time scale of the process was completely different from the results of other methods.

  15. Inference of protein diffusion probed via fluorescence correlation spectroscopy

    Science.gov (United States)

    Tsekouras, Konstantinos

    2015-03-01

    Fluctuations are an inherent part of single molecule or few particle biophysical data sets. Traditionally, ``noise'' fluctuations have been viewed as a nuisance, to be eliminated or minimized. Here we look on how statistical inference methods - that take explicit advantage of fluctuations - have allowed us to draw an unexpected picture of single molecule diffusional dynamics. Our focus is on the diffusion of proteins probed using fluorescence correlation spectroscopy (FCS). First, we discuss how - in collaboration with the Bustamante and Marqusee labs at UC Berkeley - we determined using FCS data that individual enzymes are perturbed by self-generated catalytic heat (Riedel et al, Nature, 2014). Using the tools of inference, we found how distributions of enzyme diffusion coefficients shift in the presence of substrate revealing that enzymes performing highly exothermic reactions dissipate heat by transiently accelerating their center of mass following a catalytic reaction. Next, when molecules diffuse in the cell nucleus they often appear to diffuse anomalously. We analyze FCS data - in collaboration with Rich Day at the IU Med School - to propose a simple model for transcription factor binding-unbinding in the nucleus to show that it may give rise to apparent anomalous diffusion. Here inference methods extract entire binding affinity distributions for the diffusing transcription factors, allowing us to precisely characterize their interactions with different components of the nuclear environment. From this analysis, we draw key mechanistic insight that goes beyond what is possible by simply fitting data to ``anomalous diffusion'' models.

  16. Radioactive diffusion gaseous probe technique for study adsorbent structure inhomogeneity

    International Nuclear Information System (INIS)

    Zyuzin, A.Yu.; Korobkov, V.I.; Bekman, I.N.

    1990-01-01

    One of the versions of the method of diffusion gaseous probe - method of longitudinal shear in combination with autoradiography (ARG) - was used for characterising sorbents and catalysts, which are considered to be promising for reprocessing of sulfur-containing natural gases. Hydrogen sulfide, labelled with 35 S was used as diffusion radioactive probe. Zeolite granules of 4A type and granulated adsorbents on the basis of CR and AM aluminium oxides, which are industrial catalysts of Clauss reaction developed at SNEA company, were used as objects under investigation. It is shown that technique for fabrication of 4A zeolite granules leads to asymmetrical pore distribution over the granule diameter. Technique for AM granule fabrication leads to occuRrence of local inhomogeneities of the structure in the form of narrow coaxial rings with decreased or increased local adsorption ability. Granules of adsorbent of CR type are characterized by rather homogeneous structure. It is recommended to use the mentioned method for industrial adsorbent diagnosis

  17. Iterative solutions of finite difference diffusion equations

    International Nuclear Information System (INIS)

    Menon, S.V.G.; Khandekar, D.C.; Trasi, M.S.

    1981-01-01

    The heterogeneous arrangement of materials and the three-dimensional character of the reactor physics problems encountered in the design and operation of nuclear reactors makes it necessary to use numerical methods for solution of the neutron diffusion equations which are based on the linear Boltzmann equation. The commonly used numerical method for this purpose is the finite difference method. It converts the diffusion equations to a system of algebraic equations. In practice, the size of this resulting algebraic system is so large that the iterative methods have to be used. Most frequently used iterative methods are discussed. They include : (1) basic iterative methods for one-group problems, (2) iterative methods for eigenvalue problems, and (3) iterative methods which use variable acceleration parameters. Application of Chebyshev theorem to iterative methods is discussed. The extension of the above iterative methods to multigroup neutron diffusion equations is also considered. These methods are applicable to elliptic boundary value problems in reactor design studies in particular, and to elliptic partial differential equations in general. Solution of sample problems is included to illustrate their applications. The subject matter is presented in as simple a manner as possible. However, a working knowledge of matrix theory is presupposed. (M.G.B.)

  18. Solution of diffusion equation in deformable spheroids

    Energy Technology Data Exchange (ETDEWEB)

    Ayyoubzadeh, Seyed Mohsen [Department of Energy Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Safari, Mohammad Javad, E-mail: iFluka@gmail.com [Department of Energy Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of); Vosoughi, Naser [Department of Energy Engineering, Sharif University of Technology, Tehran (Iran, Islamic Republic of)

    2011-05-15

    Research highlights: > Developing an explicit solution for the diffusion equation in spheroidal geometry. > Proving an orthogonality relation for spheroidal eigenfunctions. > Developing a relation for the extrapolation distance in spheroidal geometry. > Considering the sphere and slab as limiting cases for a spheroid. > Cross-validation of the analytical solution with Monte Carlo simulations. - Abstract: The time-dependent diffusion of neutrons in a spheroid as a function of the focal distance has been studied. The solution is based on an orthogonal basis and an extrapolation distanced related boundary condition for the spheroidal geometry. It has been shown that spheres and disks are two limiting cases for the spheroids, for which there is a smooth transition for the systems properties between these two limits. Furthermore, it is demonstrated that a slight deformation from a sphere does not affect the fundamental mode properties, to the first order. The calculations for both multiplying and non-multiplying media have been undertaken, showing good agreement with direct Monte Carlo simulations.

  19. Diffusion studies on permeable nitroxyl spin probes through bilayer lipid membranes: A low frequency ESR study

    International Nuclear Information System (INIS)

    Meenakumari, V.; Benial, A. Milton Franklin; Utsumi, Hideo; Ichikawa, Kazuhiro; Yamada, Ken-ichi; Hyodo, Fuminori; Jawahar, A.

    2015-01-01

    Electron spin resonance (ESR) studies were carried out for permeable 2mM 14 N-labeled deutrated 3 Methoxy carbonyl-2,2,5,5-tetramethyl-pyrrolidine-1-oxyl (MC-PROXYL) in pure water and 1mM, 2mM, 3mM, 4mM concentration of 14N-labeled deutrated MC-PROXYL in 400mM concentration of liposomal solution by using a 300 MHz ESR spectrometer. The ESR parameters such as linewidth, hyperfine coupling constant, g-factor, partition parameter and permeability were reported for these samples. The line broadening was observed for the nitroxyl spin probe in the liposomal solution. The line broadening indicates that the high viscous nature of the liposomal solution. The partition parameter and permeability values indicate the maximum diffusion of nitroxyl spin probes in the bilayer lipid membranes at 2 mM concentration of nitroxyl radical. This study illustrates that ESR can be used to differentiate between the intra and extra- membrane water by loading the liposome vesicles with a lipid-permeable nitroxyl spin probe. From the ESR results, the spin probe concentration was optimized as 2mM in liposomal solution for ESR phantom studies/imaging, invivo and invitro experiments

  20. Radionuclides in diffusion probing of inorganic materials based on chalcogenides

    International Nuclear Information System (INIS)

    Firsova, L.P.

    1994-01-01

    Migration of tellurium-125m, selenium-75, sulfur-35 radionuclides in solid solutions Pb 1-y (Se 0.08 Te 0.92 ) y and (Pb 1-x Sn x ) y Te 1-y , where x=0.1 and 0.2, has been studied, the results are presented. Data on dependence of selenium and tellurium self-diffusion coefficients on temperature in the range of 600-750 deg C are given. The results of the study of self-diffusion coefficient isothermal dependences on lead and tellurium vapour pressure in equilibrium with solid phases have been considered. It is ascertained that a change in the temperature and p-n transitions initiate the change in self-diffusion mechanisms of chalcogenide atoms. 8 refs., 3 tabs

  1. High-throughput ab-initio dilute solute diffusion database.

    Science.gov (United States)

    Wu, Henry; Mayeshiba, Tam; Morgan, Dane

    2016-07-19

    We demonstrate automated generation of diffusion databases from high-throughput density functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion systems in Mg, Al, Cu, Ni, Pd, and Pt host lattices have been determined using multi-frequency diffusion models. We apply a correction method for solute diffusion in alloys using experimental and simulated values of host self-diffusivity. We find good agreement with experimental solute diffusion data, obtaining a weighted activation barrier RMS error of 0.176 eV when excluding magnetic solutes in non-magnetic alloys. The compiled database is the largest collection of consistently calculated ab-initio solute diffusion data in the world.

  2. Probing the DNA Structural Requirements for Facilitated Diffusion

    Science.gov (United States)

    2015-01-01

    DNA glycosylases perform a genome-wide search to locate damaged nucleotides among a great excess of undamaged nucleotides. Many glycosylases are capable of facilitated diffusion, whereby multiple sites along the DNA are sampled during a single binding encounter. Electrostatic interactions between positively charged amino acids and the negatively charged phosphate backbone are crucial for facilitated diffusion, but the extent to which diffusing proteins rely on the double-helical structure DNA is not known. Kinetic assays were used to probe the DNA searching mechanism of human alkyladenine DNA glycosylase (AAG) and to test the extent to which diffusion requires B-form duplex DNA. Although AAG excises εA lesions from single-stranded DNA, it is not processive on single-stranded DNA because dissociation is faster than N-glycosidic bond cleavage. However, the AAG complex with single-stranded DNA is sufficiently stable to allow for DNA annealing when a complementary strand is added. This observation provides evidence of nonspecific association of AAG with single-stranded DNA. Single-strand gaps, bubbles, and bent structures do not impede the search by AAG. Instead, these flexible or bent structures lead to the capture of a nearby site of damage that is more efficient than that of a continuous B-form duplex. The ability of AAG to negotiate these helix discontinuities is inconsistent with a sliding mode of diffusion but can be readily explained by a hopping mode that involves microscopic dissociation and reassociation. These experiments provide evidence of relatively long-range hops that allow a searching protein to navigate around DNA binding proteins that would serve as obstacles to a sliding protein. PMID:25495964

  3. Exact analytical solutions for nonlinear reaction-diffusion equations

    International Nuclear Information System (INIS)

    Liu Chunping

    2003-01-01

    By using a direct method via the computer algebraic system of Mathematica, some exact analytical solutions to a class of nonlinear reaction-diffusion equations are presented in closed form. Subsequently, the hyperbolic function solutions and the triangular function solutions of the coupled nonlinear reaction-diffusion equations are obtained in a unified way

  4. CHEMLAB. A probe for in-situ radionuclide experiments. Diffusion studies

    Energy Technology Data Exchange (ETDEWEB)

    Jansson, Mats; Eriksen, Trygve E. [Royal Inst. of Technology, Stockholm (Sweden). Dept. of Chemistry

    2001-06-01

    CHEMLAB is a borehole laboratory built into a probe, in which in situ experiments can be carried out under ambient conditions with respect to pressure and temperature with the use of natural groundwater from the surrounding rock. The first CHEMLAB experiments, diffusion of cations and anions in compacted bentonite clay, have been carried out in borehole KA2512A at a depth of 320 m in Aespoe Hard Rock Laboratory. Diffusant solutions of Co{sup 2+}, Sr{sup 2+}, Cs{sup +}, I{sup -} and TcO{sup 4-} with {sup 57}Co, {sup 85}Sr, {sup 134}Cs, {sup 131}I and {sup 99}Tc as tracers were used. measured profiles for the radionuclides in the bentonite are in good agreement with profiles predicted from modelling based on apparent diffusivities and sorption coefficients obtained in laboratory experiments with clay compacted to corresponding dry density and synthetic ground water with the same composition as in borehole KA2512A.

  5. CHEMLAB. A probe for in-situ radionuclide experiments. Diffusion studies

    International Nuclear Information System (INIS)

    Jansson, Mats; Eriksen, Trygve E.

    2001-06-01

    CHEMLAB is a borehole laboratory built into a probe, in which in situ experiments can be carried out under ambient conditions with respect to pressure and temperature with the use of natural groundwater from the surrounding rock. The first CHEMLAB experiments, diffusion of cations and anions in compacted bentonite clay, have been carried out in borehole KA2512A at a depth of 320 m in Aespoe Hard Rock Laboratory. Diffusant solutions of Co 2+ , Sr 2+ , Cs + , I - and TcO 4- with 57 Co, 85 Sr, 134 Cs, 131 I and 99 Tc as tracers were used. measured profiles for the radionuclides in the bentonite are in good agreement with profiles predicted from modelling based on apparent diffusivities and sorption coefficients obtained in laboratory experiments with clay compacted to corresponding dry density and synthetic ground water with the same composition as in borehole KA2512A

  6. Interferometric measurements of a dendritic growth front solutal diffusion layer

    Science.gov (United States)

    Hopkins, John A.; Mccay, T. D.; Mccay, Mary H.

    1991-01-01

    An experimental study was undertaken to measure solutal distributions in the diffusion layer produced during the vertical directional solidification (VDS) of an ammonium chloride - water (NH4Cl-H2O) solution. Interferometry was used to obtain concentration measurements in the 1-2 millimeter region defining the diffusion layer. These measurements were fitted to an exponential form to extract the characteristic diffusion parameter for various times after the start of solidification. The diffusion parameters are within the limits predicted by steady state theory and suggest that the effective solutal diffusivity is increasing as solidification progresses.

  7. Solute redistribution in dendritic solidification with diffusion in the solid

    Science.gov (United States)

    Ganesan, S.; Poirier, D. R.

    1989-01-01

    An investigation of solute redistribution during dendritic solidification with diffusion in the solid has been performed using numerical techniques. The extent of diffusion is characterized by the instantaneous and average diffusion parameters. These parameters are functions of the diffusion Fourier number, the partition ratio and the fraction solid. Numerical results are presented as an approximate model, which is used to predict the average diffusion parameter and calculate the composition of the interdendritic liquid during solidification.

  8. Solute coupled diffusion in osmotically driven membrane processes.

    Science.gov (United States)

    Hancock, Nathan T; Cath, Tzahi Y

    2009-09-01

    Forward osmosis (FO) is an emerging water treatment technology with potential applications in desalination and wastewater reclamation. In FO, water is extracted from a feed solution using the high osmotic pressure of a hypertonic solution that flows on the opposite side of a semipermeable membrane; however, solutes diffuse simultaneously through the membrane in both directions and may jeopardize the process. In this study, we have comprehensively explored the effects of different operating conditions on the forward diffusion of solutes commonly found in brackish water and seawater, and reverse diffusion of common draw solution solutes. Results show that reverse transport of solutes through commercially available FO membranes range between 80 mg to nearly 3,000 mg per liter of water produced. Divalent feed solutes have low permeation rates (less than 1 mmol/m2-hr) while monovalent ions and uncharged solutes exhibit higher permeation. Findings have significant implications on the performance and sustainability of the FO process.

  9. Anomalous diffusion in niobium. Study of solute diffusion mechanism of iron in niobium

    International Nuclear Information System (INIS)

    Ablitzer, D.

    1977-01-01

    In order to explain anomalously high diffusion velocities observed for iron diffusion in niobium, the following parameters were measured: isotope effect, b factor (which expresses the effect of iron on niobium self-diffusion), self-diffusion coefficient of niobium, solute diffusion coefficient of iron in niobium. The results obtained show that neither pure vacancy models, nor diffusion in the lattice defects (dislocations, sub-boundaries, grain boundaries), nor pure interstitialy mechanisms, nor simple or cyclic exchange mechanisms agree with experiments. A mechanism is proposed which considers an equilibrium between substitution iron atoms and interstitial iron atoms. The diffusion of iron then occurs through interstitial vancancy pairs [fr

  10. Novel HPGe Probe solution for Harsh Environments

    Energy Technology Data Exchange (ETDEWEB)

    Clauss, J.; Pirard, B.; Menaa, N.; Quirin, P.; Flamanc, J.; Marian, V.; Lampert, M.O. [CANBERRA France, Parc des Tanneries, 1, chemin de la roseraie, 67380 Lingolsheim (France)

    2015-07-01

    In situ measurement is a privileged way of monitoring radioactive contamination compared to analyzing samples in a distant, specialized laboratory. Scintillators based spectrometers offer small footprints and are easy to easy to use, however they do not provide an accurate nuclide identification capability and activities measurement because notably of their limited energy resolution, for instance when low minimum detectable activity (MDA) are required, or in complex mixture of sources. On the other hand, High Purity Germanium (HPGe) detectors provide unmatched nuclide identification capability with the lowest MDA but they are not always of practical use on the field because the crystal needs to be cooled down to liquid nitrogen temperature, increasing the overall weight, bulkiness and complexity of the measurement. This paper presents the configuration and performance of a novel turnkey and compact HPGe solution developed by Canberra for radionuclide identification under harsh environments. Radio-contaminations surveys now can be undertaken outdoor under various weather conditions, in contaminated areas, underground or underwater locations (including under sea water), with fast on site deployment. The spectrometer is also designed in a small diameter tubular shape to offer minimal footprint for an operation in narrow and confined spaces. Besides, this innovative design does not mitigate the performances nor the reliability experienced with standard laboratory-grade HPGe spectrometers. This achievement relies on advanced technologies such as the encapsulation of the crystal in ultra-high vacuum (UHV) which provides higher robustness and does not requires thermal cycles faced with regular HPGe equipment. It also relies on a low vibration, low consumption electrical cooler so that no liquid nitrogen is being used. The detector is connected to a state-of-the-art digital spectroscopy suite embedded in an autonomous acquisition station monitoring the cryo-cooler and

  11. Diffusion Coefficients of Several Aqueous Alkanolamine Solutions

    NARCIS (Netherlands)

    Snijder, Erwin D.; Riele, Marcel J.M. te; Versteeg, Geert F.; Swaaij, W.P.M. van

    1993-01-01

    The Taylor dispersion technique was applied for the determination of diffusion coefficients of various systems. Experiments with the system KCl in water showed that the experimental setup provides accurate data. For the alkanolamines monoethanolamine (MEA), diethanolamine (DEA), methyldiethanolamine

  12. Multiscale diffusion of a molecular probe in a crowded environment: a concept

    Science.gov (United States)

    Currie, Megan; Thao, Chang; Timerman, Randi; Welty, Robb; Berry, Brenden; Sheets, Erin D.; Heikal, Ahmed A.

    2015-08-01

    Living cells are crowded with macromolecules and organelles. Yet, it is not fully understood how macromolecular crowding affects the myriad of biochemical reactions, transport and the structural stability of biomolecules that are essential to cellular function and survival. These molecular processes, with or without electrostatic interactions, in living cells are therefore expected to be distinct from those carried out in test tube in dilute solutions where excluded volumes are absent. Thus there is an urgent need to understand the macromolecular crowding effects on cellular and molecular biophysics towards quantitative cell biology. In this report, we investigated how biomimetic crowding affects both the rotational and translation diffusion of a small probe (rhodamine green, RhG). For biomimetic crowding agents, we used Ficoll-70 (synthetic polymer), bovine serum albumin and ovalbumin (proteins) at various concentrations in a buffer at room temperature. As a control, we carried out similar measurements on glycerolenriched buffer as an environment with homogeneous viscosity as a function of glycerol concentration. The corresponding bulk viscosity was measured independently to test the validity of the Stokes-Einstein model of a diffusing species undergoing a random walk. For rotational diffusion (ps-ns time scale), we used time-resolved anisotropy measurements to examine potential binding of RhG as a function of the crowding agents (surface structure and size). For translational diffusion (μs-s time scale), we used fluorescence correlation spectroscopy for single-molecule fluctuation analysis. Our results allow us to examine the diffusion model of a molecular probe in crowded environments as a function of concentration, length scale, homogeneous versus heterogeneous viscosity, size and surface structures. These biomimetic crowding studies, using non-invasive fluorescence spectroscopy methods, represent an important step towards understanding cellular biophysics and

  13. Diffusing colloidal probes of protein-carbohydrate interactions.

    Science.gov (United States)

    Eichmann, Shannon L; Meric, Gulsum; Swavola, Julia C; Bevan, Michael A

    2013-02-19

    We present diffusing colloidal probe measurements of weak, multivalent, specific protein-polysaccharide interactions mediated by a competing monosaccharide. Specifically, we used integrated evanescent wave and video microscopy methods to monitor the three-dimensional Brownian excursions of conconavilin A (ConA) decorated colloids interacting with dextran-functionalized surfaces in the presence of glucose. Particle trajectories were interpreted as binding lifetime histograms, binding isotherms, and potentials of mean force. Binding lifetimes and isotherms showed clear trends of decreasing ConA-dextran-specific binding with increasing glucose concentration, consistent with expectations. Net potentials were accurately captured by superposition of a short-range, glucose-independent ConA-dextran repulsion and a longer-range, glucose-dependent dextran bridging attraction modeled as a harmonic potential. For glucose concentrations greater than 100 mM, the net ConA-dextran potential was found to have only a nonspecific repulsion, similar to that of bovine serum albumin (BSA) decorated colloids over dextran determined in control experiments. Our results demonstrate the first use of optical microscopy methods to quantify the connections between potentials of mean force and the binding behavior of ConA-decorated colloids on dextran-functionalized surfaces.

  14. Polymer diffusion in the interphase between surface and solution.

    Science.gov (United States)

    Weger, Lukas; Weidmann, Monika; Ali, Wael; Hildebrandt, Marcus; Gutmann, Jochen Stefan; Hoffmann-Jacobsen, Kerstin

    2018-05-22

    Total internal reflection fluorescence correlation spectroscopy (TIR-FCS) is applied to study the self-diffusion of polyethylene glycol solutions in the presence of weakly attractive interfaces. Glass coverslips modified with aminopropyl- and propyl-terminated silanes are used to study the influence of solid surfaces on polymer diffusion. A model of three phases of polymer diffusion allows to describe the experimental fluorescence autocorrelation functions. Besides the two-dimensional diffusion of adsorbed polymer on the substrate and three-dimensional free diffusion in bulk solution, a third diffusion time scale is observed with intermediate diffusion times. This retarded three-dimensional diffusion in solution is assigned to long range effects of solid surfaces on diffusional dynamics of polymers. The respective diffusion constants show Rouse scaling (D~N -1 ) indicating a screening of hydrodynamic interactions by the presence of the surface. Hence, the presented TIR-FCS method proves to be a valuable tool to investigate the effect of surfaces on polymer diffusion beyond the first adsorbed polymer layer on the 100 nm length scale.

  15. Measurement of Solute Diffusion Behavior in Fractured Waste Glass Media

    International Nuclear Information System (INIS)

    Saripalli, Kanaka P.; Lindberg, Michael J.; Meyer, Philip D.

    2008-01-01

    Determination of aqueous phase diffusion coefficients of solutes through fractured media is essential for understanding and modeling contaminants transport at many hazardous waste disposal sites. No methods for earlier measurements are available for the characterization of diffusion in fractured glass blocks. We report here the use of time-lag diffusion experimental method to assess the diffusion behavior of three different solutes (Cs, Sr and Pentafluoro Benzoic Acid or PFBA) in fractured, immobilized low activity waste (ILAW) glass forms. A fractured media time-lag diffusion experimental apparatus that allows the measurement of diffusion coefficients has been designed and built for this purpose. Use of time-lag diffusion method, a considerably easier experimental method than the other available methods, was not previously demonstrated for measuring diffusion in any fractured media. Hydraulic conductivity, porosity and diffusion coefficients of a solute were experimentally measured in fractured glass blocks using this method for the first time. Results agree with the range of properties reported for similar rock media earlier, indicating that the time-lag experimental method can effectively characterize the diffusion coefficients of fractured ILAW glass media

  16. Analytical solutions of one-dimensional advection–diffusion

    Indian Academy of Sciences (India)

    Analytical solutions are obtained for one-dimensional advection –diffusion equation with variable coefficients in a longitudinal finite initially solute free domain,for two dispersion problems.In the first one,temporally dependent solute dispersion along uniform flow in homogeneous domain is studied.In the second problem the ...

  17. Periodic solutions in reaction–diffusion equations with time delay

    International Nuclear Information System (INIS)

    Li, Li

    2015-01-01

    Spatial diffusion and time delay are two main factors in biological and chemical systems. However, the combined effects of them on diffusion systems are not well studied. As a result, we investigate a nonlinear diffusion system with delay and obtain the existence of the periodic solutions using coincidence degree theory. Moreover, two numerical examples confirm our theoretical results. The obtained results can also be applied in other related fields

  18. Probing the hydration water diffusion of macromolecular surfaces and interfaces

    International Nuclear Information System (INIS)

    Ortony, Julia H; Cheng, Chi-Yuan; Franck, John M; Pavlova, Anna; Hunt, Jasmine; Han, Songi; Kausik, Ravinath

    2011-01-01

    We probe the translational dynamics of the hydration water surrounding the macromolecular surfaces of selected polyelectrolytes, lipid vesicles and intrinsically disordered proteins with site specificity in aqueous solutions. These measurements are made possible by the recent development of a new instrumental and methodological approach based on Overhauser dynamic nuclear polarization (DNP)-enhanced nuclear magnetic resonance (NMR) spectroscopy. This technique selectively amplifies 1 H NMR signals of hydration water around a spin label that is attached to a molecular site of interest. The selective 1 H NMR amplification within molecular length scales of a spin label is achieved by utilizing short-distance range (∼r -3 ) magnetic dipolar interactions between the 1 H spin of water and the electron spin of a nitroxide radical-based label. Key features include the fact that only minute quantities (<10 μl) and dilute (≥100 μM) sample concentrations are needed. There is no size limit on the macromolecule or molecular assembly to be analyzed. Hydration water with translational correlation times between 10 and 800 ps is measured within ∼10 A distance of the spin label, encompassing the typical thickness of a hydration layer with three water molecules across. The hydration water moving within this time scale has significant implications, as this is what is modulated whenever macromolecules or molecular assemblies undergo interactions, binding or conformational changes. We demonstrate, with the examples of polymer complexation, protein aggregation and lipid-polymer interaction, that the measurements of interfacial hydration dynamics can sensitively and site specifically probe macromolecular interactions.

  19. Differential constraints and exact solutions of nonlinear diffusion equations

    International Nuclear Information System (INIS)

    Kaptsov, Oleg V; Verevkin, Igor V

    2003-01-01

    The differential constraints are applied to obtain explicit solutions of nonlinear diffusion equations. Certain linear determining equations with parameters are used to find such differential constraints. They generalize the determining equations used in the search for classical Lie symmetries

  20. Semianalytic Solution of Space-Time Fractional Diffusion Equation

    Directory of Open Access Journals (Sweden)

    A. Elsaid

    2016-01-01

    Full Text Available We study the space-time fractional diffusion equation with spatial Riesz-Feller fractional derivative and Caputo fractional time derivative. The continuation of the solution of this fractional equation to the solution of the corresponding integer order equation is proved. The series solution of this problem is obtained via the optimal homotopy analysis method (OHAM. Numerical simulations are presented to validate the method and to show the effect of changing the fractional derivative parameters on the solution behavior.

  1. Asymptotic solutions of diffusion models for risk reserves

    Directory of Open Access Journals (Sweden)

    S. Shao

    2003-01-01

    Full Text Available We study a family of diffusion models for risk reserves which account for the investment income earned and for the inflation experienced on claim amounts. After we defined the process of the conditional probability of ruin over finite time and imposed the appropriate boundary conditions, classical results from the theory of diffusion processes turn the stochastic differential equation to a special class of initial and boundary value problems defined by a linear diffusion equation. Armed with asymptotic analysis and perturbation theory, we obtain the asymptotic solutions of the diffusion models (possibly degenerate governing the conditional probability of ruin over a finite time in terms of interest rate.

  2. Mutual diffusion of sodium hyaluranate in aqueous solutions

    International Nuclear Information System (INIS)

    Veríssimo, Luís M.P.; Valada, Teresa I.C.; Sobral, Abilio J.F.N.; Azevedo, Eduarda E.F.G.; Azevedo, Maria L.G.; Ribeiro, Ana C.F.

    2014-01-01

    Highlights: • Binary diffusion coefficients for the systems containing sodium hyaluronate. • Influence of the aggregation on diffusion of the sodium hyaluronate in the aqueous media. • Estimation of the thermodynamic and mobility factors from mutual diffusion. -- Abstract: The Taylor dispersion technique has been used for measuring mutual diffusion coefficients of sodium hyaluronate in aqueous solutions at T = 298.15 K, and concentrations ranging from (0.00 to 0.50) g · dm −3 . The results are interpreted on the basis of Nernst, and Onsager and Fuoss theoretical equations. From the diffusion coefficient at infinitesimal concentration, the limiting ionic conductivity and the tracer diffusion coefficient of hyaluronate ion were estimated. These studies have been complemented by molecular mechanics calculations

  3. Probing skin interaction with hydrogen peroxide using diffuse reflectance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zonios, George [Department of Materials Science and Engineering, University of Ioannina, 45110 Ioannina (Greece); Dimou, Aikaterini [Department of Materials Science and Engineering, University of Ioannina, 45110 Ioannina (Greece); Galaris, Dimitrios [Laboratory of Biological Chemistry, School of Medicine, University of Ioannina, 45110 Ioannina (Greece)

    2008-01-07

    Hydrogen peroxide is an important oxidizing agent in biological systems. In dermatology, it is frequently used as topical antiseptic, it has a haemostatic function, it can cause skin blanching, and it can facilitate skin tanning. In this work, we investigated skin interaction with hydrogen peroxide, non-invasively, using diffuse reflectance spectroscopy. We observed transient changes in the oxyhaemoglobin and deoxyhaemoglobin concentrations as a result of topical application of dilute H{sub 2}O{sub 2} solutions to the skin, with changes in deoxyhaemoglobin concentration being more pronounced. Furthermore, we did not observe any appreciable changes in melanin absorption properties as well as in the skin scattering properties. We also found no evidence for production of oxidized haemoglobin forms. Our observations are consistent with an at least partial decomposition of hydrogen peroxide within the stratum corneum and epidermis, with the resulting oxygen and/or remaining hydrogen peroxide inducing vasoconstriction to dermal blood vessels and increasing haemoglobin oxygen saturation. An assessment of the effects of topical application of hydrogen peroxide to the skin may serve as the basis for the development of non-invasive techniques to measure skin antioxidant capacity and also may shed light onto skin related disorders such as vitiligo.

  4. Probing skin interaction with hydrogen peroxide using diffuse reflectance spectroscopy

    International Nuclear Information System (INIS)

    Zonios, George; Dimou, Aikaterini; Galaris, Dimitrios

    2008-01-01

    Hydrogen peroxide is an important oxidizing agent in biological systems. In dermatology, it is frequently used as topical antiseptic, it has a haemostatic function, it can cause skin blanching, and it can facilitate skin tanning. In this work, we investigated skin interaction with hydrogen peroxide, non-invasively, using diffuse reflectance spectroscopy. We observed transient changes in the oxyhaemoglobin and deoxyhaemoglobin concentrations as a result of topical application of dilute H 2 O 2 solutions to the skin, with changes in deoxyhaemoglobin concentration being more pronounced. Furthermore, we did not observe any appreciable changes in melanin absorption properties as well as in the skin scattering properties. We also found no evidence for production of oxidized haemoglobin forms. Our observations are consistent with an at least partial decomposition of hydrogen peroxide within the stratum corneum and epidermis, with the resulting oxygen and/or remaining hydrogen peroxide inducing vasoconstriction to dermal blood vessels and increasing haemoglobin oxygen saturation. An assessment of the effects of topical application of hydrogen peroxide to the skin may serve as the basis for the development of non-invasive techniques to measure skin antioxidant capacity and also may shed light onto skin related disorders such as vitiligo

  5. Thermal diffusivity of samarium-gadolinium zirconate solid solutions

    International Nuclear Information System (INIS)

    Pan, W.; Wan, C.L.; Xu, Q.; Wang, J.D.; Qu, Z.X.

    2007-01-01

    We synthesized samarium-gadolinium zirconate solid solutions and determined their thermal diffusivities, Young's moduli and thermal expansion coefficients, which are very important for their application in thermal barrier coatings. Samarium-gadolinium zirconate solid solutions have extremely low thermal diffusivity between 20 and 600 deg. C. The solid solutions have lower Young's moduli and higher thermal expansion coefficients than those of pure samarium and gadolinium zirconates. This combination of characteristics is promising for the application of samarium and gadolinium zirconates in gas turbines. The mechanism of phonon scattering by point defects is discussed

  6. Solid solution strengthening and diffusion in nickel- and cobalt-based superalloys

    Energy Technology Data Exchange (ETDEWEB)

    Rehman, Hamad ur

    2016-07-01

    Nickel and cobalt-based superalloys with a γ-γ{sup '} microstructure are known for their excellent creep resistance at high temperatures. Their microstructure is engineered using different alloying elements, that partition either to the fcc γ matrix or to the ordered γ{sup '} phase. In the present work the effect of alloying elements on their segregation behaviour in nickel-based superalloys, diffusion in cobalt-based superalloys and the temperature dependent solid solution strengthening in nickel-based alloys is investigated. The effect of dendritic segregation on the local mechanical properties of individual phases in the as-cast, heat treated and creep deformed state of a nickel-based superalloy is investigated. The local chemical composition is characterized using Electron Probe Micro Analysis and then correlated with the mechanical properties of individual phases using nanoindentation. Furthermore, the temperature dependant solid solution hardening contribution of Ta, W and Re towards fcc nickel is studied. The room temperature hardening is determined by a diffusion couple approach using nanoindentation and energy dispersive X-ray analysis for relating hardness to the chemical composition. The high temperature properties are determined using compression strain rate jump tests. The results show that at lower temperatures, the solute size is prevalent and the elements with the largest size difference with nickel, induce the greatest hardening consistent with a classical solid solution strengthening theory. At higher temperatures, the solutes interact with the dislocations such that the slowest diffusing solute poses maximal resistance to dislocation glide and climb. Lastly, the diffusion of different technically relevant solutes in fcc cobalt is investigated using diffusion couples. The results show that the large atoms diffuse faster in cobalt-based superalloys similar to their nickel-based counterparts.

  7. Solid solution strengthening and diffusion in nickel- and cobalt-based superalloys

    International Nuclear Information System (INIS)

    Rehman, Hamad ur

    2016-01-01

    Nickel and cobalt-based superalloys with a γ-γ ' microstructure are known for their excellent creep resistance at high temperatures. Their microstructure is engineered using different alloying elements, that partition either to the fcc γ matrix or to the ordered γ ' phase. In the present work the effect of alloying elements on their segregation behaviour in nickel-based superalloys, diffusion in cobalt-based superalloys and the temperature dependent solid solution strengthening in nickel-based alloys is investigated. The effect of dendritic segregation on the local mechanical properties of individual phases in the as-cast, heat treated and creep deformed state of a nickel-based superalloy is investigated. The local chemical composition is characterized using Electron Probe Micro Analysis and then correlated with the mechanical properties of individual phases using nanoindentation. Furthermore, the temperature dependant solid solution hardening contribution of Ta, W and Re towards fcc nickel is studied. The room temperature hardening is determined by a diffusion couple approach using nanoindentation and energy dispersive X-ray analysis for relating hardness to the chemical composition. The high temperature properties are determined using compression strain rate jump tests. The results show that at lower temperatures, the solute size is prevalent and the elements with the largest size difference with nickel, induce the greatest hardening consistent with a classical solid solution strengthening theory. At higher temperatures, the solutes interact with the dislocations such that the slowest diffusing solute poses maximal resistance to dislocation glide and climb. Lastly, the diffusion of different technically relevant solutes in fcc cobalt is investigated using diffusion couples. The results show that the large atoms diffuse faster in cobalt-based superalloys similar to their nickel-based counterparts.

  8. Anomalous water diffusion in salt solutions

    Science.gov (United States)

    Ding, Yun; Hassanali, Ali A.; Parrinello, Michele

    2014-01-01

    The dynamics of water exhibits anomalous behavior in the presence of different electrolytes. Recent experiments [Kim JS, Wu Z, Morrow AR, Yethiraj A, Yethiraj A (2012) J Phys Chem B 116(39):12007–12013] have found that the self-diffusion of water can either be enhanced or suppressed around CsI and NaCl, respectively, relative to that of neat water. Here we show that unlike classical empirical potentials, ab initio molecular dynamics simulations successfully reproduce the qualitative trends observed experimentally. These types of phenomena have often been rationalized in terms of the “structure-making” or “structure-breaking” effects of different ions on the solvent, although the microscopic origins of these features have remained elusive. Rather than disrupting the network in a significant manner, the electrolytes studied here cause rather subtle changes in both structural and dynamical properties of water. In particular, we show that water in the ab initio molecular dynamics simulations is characterized by dynamic heterogeneity, which turns out to be critical in reproducing the experimental trends. PMID:24522111

  9. Traveling wave solutions for reaction-diffusion systems

    DEFF Research Database (Denmark)

    Lin, Zhigui; Pedersen, Michael; Tian, Canrong

    2010-01-01

    This paper is concerned with traveling waves of reaction–diffusion systems. The definition of coupled quasi-upper and quasi-lower solutions is introduced for systems with mixed quasimonotone functions, and the definition of ordered quasi-upper and quasi-lower solutions is also given for systems...... with quasimonotone nondecreasing functions. By the monotone iteration method, it is shown that if the system has a pair of coupled quasi-upper and quasi-lower solutions, then there exists at least a traveling wave solution. Moreover, if the system has a pair of ordered quasi-upper and quasi-lower solutions...

  10. Solute-solvent interactions and dynamics probed by THz light

    Science.gov (United States)

    Schwaab, Gerhard; Böhm, Fabian; Ma, Chun-Yu; Havenith, Martina

    The THz range (1-12 THz, 30-400 cm-1) is especially suited to probe changes in the solvent dynamics induced by solutes of different character (hydrophobic, hydrophilic, charged, neutral). In recent years we have investigated a large variety of such solutes and found characteristic spectral fingerprints for ions, but also for uncharged solutes, such as alcohols. We will present a status report on our current understanding of the observed spectral changes and how they relate to physico-chemical parameters like hydration shell size or the lifetime of an excited intermolecular oscillation. In addition, we will show, that in some cases the spectral changes are closely related to the partition function yielding access to a microscopic understanding of macroscopic thermodynamic functions. The authors gratefully acknowledge financial support from the Cluster of Excellence RESOLV (Ruhr-Universität, EXC1069) funded by the Deutsche Forschungsgemeinschaft.

  11. The quasi-diffusive approximation in transport theory: Local solutions

    International Nuclear Information System (INIS)

    Celaschi, M.; Montagnini, B.

    1995-01-01

    The one velocity, plane geometry integral neutron transport equation is transformed into a system of two equations, one of them being the equation of continuity and the other a generalized Fick's law, in which the usual diffusion coefficient is replaced by a self-adjoint integral operator. As the kernel of this operator is very close to the Green function of a diffusion equation, an approximate inversion by means of a second order differential operator allows to transform these equations into a purely differential system which is shown to be equivalent, in the simplest case, to a diffusion-like equation. The method, the principles of which have been exposed in a previous paper, is here extended and applied to a variety of problems. If the inversion is properly performed, the quasi-diffusive solutions turn out to be quite accurate, even in the vicinity of the interface between different material regions, where elementary diffusion theory usually fails. 16 refs., 3 tabs

  12. Solutions for a diffusion equation with a backbone term

    International Nuclear Information System (INIS)

    Tateishi, A A; Lenzi, E K; Ribeiro, H V; Evangelista, L R; Mendes, R S; Da Silva, L R

    2011-01-01

    We investigate the diffusion equation ∂ t ρ=D y ∂ y 2 ρ+D x ∂ x 2 ρ+ D-bar x δ(y)∂ x μ ρ subjected to the boundary conditions ρ(±∞,y;t)=0 and ρ(x,±∞;t)=0, and the initial condition ρ(x,y;0)= ρ-hat (x,y). We obtain exact solutions in terms of the Green function approach and analyze the mean square displacement in the x and y directions. This analysis shows an anomalous spreading of the system which is characterized by different diffusive regimes connected to anomalous diffusion

  13. Solution of time dependent atmospheric diffusion equation with a proposed diffusion coefficient

    International Nuclear Information System (INIS)

    Mayhoub, A.B.; Essa, KH.S.M.; Aly, SH.

    2004-01-01

    One-dimensional model for the dispersion of passive atmospheric contaminant (not included chemical reactions) in the atmospheric boundary layer is considered. On the basis of the gradient transfer theory (K-theory), the time dependent diffusion equation represents the dispersion of the pollutants is solved analytically. The solution depends on diffusion coefficient K', which is expressed in terms of the friction velocity 'u the vertical coordinate -L and the depth of the mixing layer 'h'. The solution is obtained to either the vertical coordinate 'z' is less or greater than the mixing height 'h'. The obtained solution may be applied to study the atmospheric dispersion of pollutants

  14. Diffusion of nanoparticles in solution through elastomeric membrane

    Science.gov (United States)

    Zemzem, Mohamed; Vinches, Ludwig; Hallé, Stéphane

    2017-04-01

    Diffusion phenomena encountered in mass transfer of liquids play an important role in many technological processes of polymer manufacturing and use. In addition and alongside the notable growth of nanoparticles use, particularly when in suspension in liquid solutions, it has become important to pay some attention to their interactions with polymeric structures. The aim of this work is to evaluate some diffusion parameters of gold nanoparticle solutions as well as of their liquid carrier (water) through elastomeric membranes. Gravimetric method was chosen as the main technique to quantify swelling phenomena and to assess kinetic properties. The dynamic liquid uptake measurements were conducted on gold nanoparticles (5 nm and 50 nm in diameter) in aqueous solutions when brought into contact with two types of nitrile material samples. Results showed that diffusion mechanism of the liquids lies between Fickian and sub-Fickian modes. Slight deviations were noticed with the gold nanoparticle solutions. A growth in liquid interaction with the rubbery structure in presence of the nanoparticles was also observed from comparison of K factor (characteristic of the elastomer-liquid interaction). Difference between the characteristics of the two membranes was also reported using this parameter. Besides, diffusion coefficients testified the impact of the membrane thickness on the penetration process, while no significant effect of the nature of the nanoparticle solution can be seen on this coefficient.

  15. Diffusion of nanoparticles in solution through elastomeric membrane

    International Nuclear Information System (INIS)

    Zemzem, Mohamed; Vinches, Ludwig; Hallé, Stéphane

    2017-01-01

    Diffusion phenomena encountered in mass transfer of liquids play an important role in many technological processes of polymer manufacturing and use. In addition and alongside the notable growth of nanoparticles use, particularly when in suspension in liquid solutions, it has become important to pay some attention to their interactions with polymeric structures. The aim of this work is to evaluate some diffusion parameters of gold nanoparticle solutions as well as of their liquid carrier (water) through elastomeric membranes. Gravimetric method was chosen as the main technique to quantify swelling phenomena and to assess kinetic properties. The dynamic liquid uptake measurements were conducted on gold nanoparticles (5 nm and 50 nm in diameter) in aqueous solutions when brought into contact with two types of nitrile material samples. Results showed that diffusion mechanism of the liquids lies between Fickian and sub-Fickian modes. Slight deviations were noticed with the gold nanoparticle solutions. A growth in liquid interaction with the rubbery structure in presence of the nanoparticles was also observed from comparison of K factor (characteristic of the elastomer-liquid interaction). Difference between the characteristics of the two membranes was also reported using this parameter. Besides, diffusion coefficients testified the impact of the membrane thickness on the penetration process, while no significant effect of the nature of the nanoparticle solution can be seen on this coefficient. (paper)

  16. Self-diffusion and solute diffusion in alloys under irradiation: Influence of ballistic jumps

    International Nuclear Information System (INIS)

    Roussel, Jean-Marc; Bellon, Pascal

    2002-01-01

    We have studied the influence of ballistic jumps on thermal and total diffusion of solvent and solute atoms in dilute fcc alloys under irradiation. For the diffusion components that result from vacancy migration, we introduce generalized five-frequency models, and show that ballistic jumps produce decorrelation effects that have a moderate impact on self-diffusion but that can enhance or suppress solute diffusion by several orders of magnitude. These could lead to new irradiation-induced transformations, especially in the case of subthreshold irradiation conditions. We also show that the mutual influence of thermal and ballistic jumps results in a nonadditivity of partial diffusion coefficients: the total diffusion coefficient under irradiation may be less than the sum of the thermal and ballistic diffusion coefficients. These predictions are confirmed by kinetic Monte Carlo simulations. Finally, it is shown that the method introduced here can be extended to take into account the effect of ballistic jumps on the diffusion of dumbbell interstitials in dilute alloys

  17. Homogenization Theory for the Prediction of Obstructed Solute Diffusivity in Macromolecular Solutions.

    Science.gov (United States)

    Donovan, Preston; Chehreghanianzabi, Yasaman; Rathinam, Muruhan; Zustiak, Silviya Petrova

    2016-01-01

    The study of diffusion in macromolecular solutions is important in many biomedical applications such as separations, drug delivery, and cell encapsulation, and key for many biological processes such as protein assembly and interstitial transport. Not surprisingly, multiple models for the a-priori prediction of diffusion in macromolecular environments have been proposed. However, most models include parameters that are not readily measurable, are specific to the polymer-solute-solvent system, or are fitted and do not have a physical meaning. Here, for the first time, we develop a homogenization theory framework for the prediction of effective solute diffusivity in macromolecular environments based on physical parameters that are easily measurable and not specific to the macromolecule-solute-solvent system. Homogenization theory is useful for situations where knowledge of fine-scale parameters is used to predict bulk system behavior. As a first approximation, we focus on a model where the solute is subjected to obstructed diffusion via stationary spherical obstacles. We find that the homogenization theory results agree well with computationally more expensive Monte Carlo simulations. Moreover, the homogenization theory agrees with effective diffusivities of a solute in dilute and semi-dilute polymer solutions measured using fluorescence correlation spectroscopy. Lastly, we provide a mathematical formula for the effective diffusivity in terms of a non-dimensional and easily measurable geometric system parameter.

  18. Homogenization Theory for the Prediction of Obstructed Solute Diffusivity in Macromolecular Solutions.

    Directory of Open Access Journals (Sweden)

    Preston Donovan

    Full Text Available The study of diffusion in macromolecular solutions is important in many biomedical applications such as separations, drug delivery, and cell encapsulation, and key for many biological processes such as protein assembly and interstitial transport. Not surprisingly, multiple models for the a-priori prediction of diffusion in macromolecular environments have been proposed. However, most models include parameters that are not readily measurable, are specific to the polymer-solute-solvent system, or are fitted and do not have a physical meaning. Here, for the first time, we develop a homogenization theory framework for the prediction of effective solute diffusivity in macromolecular environments based on physical parameters that are easily measurable and not specific to the macromolecule-solute-solvent system. Homogenization theory is useful for situations where knowledge of fine-scale parameters is used to predict bulk system behavior. As a first approximation, we focus on a model where the solute is subjected to obstructed diffusion via stationary spherical obstacles. We find that the homogenization theory results agree well with computationally more expensive Monte Carlo simulations. Moreover, the homogenization theory agrees with effective diffusivities of a solute in dilute and semi-dilute polymer solutions measured using fluorescence correlation spectroscopy. Lastly, we provide a mathematical formula for the effective diffusivity in terms of a non-dimensional and easily measurable geometric system parameter.

  19. Similarity Solutions for Multiterm Time-Fractional Diffusion Equation

    OpenAIRE

    Elsaid, A.; Abdel Latif, M. S.; Maneea, M.

    2016-01-01

    Similarity method is employed to solve multiterm time-fractional diffusion equation. The orders of the fractional derivatives belong to the interval (0,1] and are defined in the Caputo sense. We illustrate how the problem is reduced from a multiterm two-variable fractional partial differential equation to a multiterm ordinary fractional differential equation. Power series solution is obtained for the resulting ordinary problem and the convergence of the series solution is discussed. Based on ...

  20. Mercury Amalgam Diffusion in Human Teeth Probed Using Femtosecond LIBS.

    Science.gov (United States)

    Bello, Liciane Toledo; da Ana, Patricia Aparecida; Santos, Dário; Krug, Francisco José; Zezell, Denise Maria; Vieira, Nilson Dias; Samad, Ricardo Elgul

    2017-04-01

    In this work the diffusion of mercury and other elements from amalgam tooth restorations through the surrounding dental tissue (dentin) was evaluated using femtosecond laser-induced breakdown spectroscopy (fs-LIBS). To achieve this, seven deciduous and eight permanent extracted human molar teeth with occlusal amalgam restorations were half-sectioned and analyzed using pulses from a femtosecond laser. The measurements were performed from the amalgam restoration along the amalgam/dentin interface to the apical direction. It was possible to observe the presence of metallic elements (silver, mercury, copper and tin) emission lines, as well as dental constituent ones, providing fingerprints of each material and comparable data for checking the consistence of the results. It was also shown that the elements penetration depth values in each tooth are usually similar and consistent, for both deciduous and permanent teeth, indicating that all the metals diffuse into the dentin by the same mechanism. We propose that this diffusion mechanism is mainly through liquid dragging inside the dentin tubules. The mercury diffused further in permanent teeth than in deciduous teeth, probably due to the longer diffusion times due to the age of the restorations. It was possible to conclude that the proposed femtosecond-LIBS system can detect the presence of metals in the dental tissue, among the tooth constituent elements, and map the distribution of endogenous and exogenous chemical elements, with a spatial resolution that can be brought under 100 µm.

  1. Solitary wave solutions of selective nonlinear diffusion-reaction ...

    Indian Academy of Sciences (India)

    An auto-Bäcklund transformation derived in the homogeneous balance method is employed to obtain several new exact solutions of certain kinds of nonlin- ear diffusion-reaction (D-R) equations. These equations arise in a variety of problems in physical, chemical, biological, social and ecological sciences. Keywords.

  2. Exact solutions of certain nonlinear chemotaxis diffusion reaction ...

    Indian Academy of Sciences (India)

    constructed coupled differential equations. The results obtained ... Nonlinear diffusion reaction equation; chemotaxis; auxiliary equation method; solitary wave solutions. ..... fact limits the scope of applications of the derived results. ... Research Fellowship and AP acknowledges DU and DST for PURSE grant for financial.

  3. Translational and rotational diffusion of flexible PEG and rigid dendrimer probes in sodium caseinate dispersions and acid gels

    NARCIS (Netherlands)

    Salami, S.; Rondeau-Mouro, C.; Barhoum, M.; Duynhoven, van J.P.M.; Mariette, F.

    2014-01-01

    The dynamics of rigid dendrimer and flexible PEG probes in sodium caseinate dispersions and acid gels, including both translational diffusion and rotational diffusion, were studied by NMR. Above the onset of the close-packing limit (C ~ 10 g/100 g H2O), translational diffusion of the probe depended

  4. Colloidal probe dynamics in gelatin solution during the sol-gel transition.

    Science.gov (United States)

    Hong, Wei; Xu, Guozhi; Ou, Xiaogang; Sun, Weixiang; Wang, Tao; Tong, Zhen

    2018-05-16

    The dynamics of the colloidal probes in a gelatin solution during the time-dependent sol-gel transition was investigated by multi-particle tracking. The relationship between the relaxation of the medium at the critical gel point and the mean square displacement of the probes was elucidated. Based on this understanding, the critical gel point of gelatin and the corresponding critical exponent n were unambiguously determined by the loss angle criterion and the time-cure superposition. The shift factors of the latter are further used to estimate the time/length-scale evolution of the gelatin during the sol-gel transition. The growth of the medium length scale crossed with the two measuring length scales successively at the pre-gel regime. Coinciding with the length-scale crossovers, the probability density function (PDF) of the probe displacements displayed two transient peaks of non-Gaussianity. In the post-gel regime, the third peak of Gaussianity suggested inhomogeneity in the gel network. The non-Gaussianity results from the bifurcation of diffusivity. The present work showed that the non-Gaussian dynamics of the probes are not the direct equivalence of that of the medium, but an effect of length-scale coupling.

  5. A comparison of certain variational solutions of neutron diffusion equation

    International Nuclear Information System (INIS)

    Altiparmakov, D.V.; Milgram, M.S.

    1987-01-01

    Using the R-function theory and the variational method of Kantorovich, an approximate solution of the neutron diffusion equation is constructed for a homogeneous spatial domain of arbitrary shape. Calculations have been carried out by five different types of trial functions for certain characteristic domains of polygonal shape (square, triangle, hexagon, rhombus nad L-shaped domain). In the case of non-convex polygons, the consequence of the R-function solution is very poor and a separate treatment of singularity seems to be necessary. Compared to the R-function solution, the singular function development is mathematically more complicated but superior in respect to convergence rate. (author)

  6. Numerical solution of non-linear diffusion problems

    International Nuclear Information System (INIS)

    Carmen, A. del; Ferreri, J.C.

    1998-01-01

    This paper presents a method for the numerical solution of non-linear diffusion problems using finite-differences in moving grids. Due to the presence of steep fronts in the solution domain and to the presence of advective terms originating in the grid movement, an implicit TVD scheme, first order in time and second order in space has been developed. Some algebraic details of the derivation are given. Results are shown for the pure advection of a scalar as a test case and an example dealing with the slow spreading of viscous fluids over plane surfaces. The agreement between numerical and analytical solutions is excellent. (author). 8 refs., 3 figs

  7. Numerical solution of a reaction-diffusion equation

    International Nuclear Information System (INIS)

    Moyano, Edgardo A.; Scarpettini, Alberto F.

    2000-01-01

    The purpose of the present work to continue the observations and the numerical experiences on a reaction-diffusion model, that is a simplified form of the neutronic flux equation. The model is parabolic, nonlinear, with Dirichlet boundary conditions. The purpose is to approximate non trivial solutions, asymptotically stables for t → ∞, that is solutions that tend to the elliptic problem, in the Lyapunov sense. It belongs to the so-called reaction-diffusion equations of semi linear kind, that is, linear equations in the heat operator and they have a nonlinear reaction function, in this case f (u, a, b) = u (a - b u), being u concentration, a and b parameters. The study of the incidence of these parameters take an interest to the neutronic flux physics. So that we search non trivial, positive and bounded solutions. The used algorithm is based on the concept of monotone and ordered sequences, and on the existence theorem of Amann and Sattinger. (author)

  8. Traveling wavefront solutions to nonlinear reaction-diffusion-convection equations

    International Nuclear Information System (INIS)

    Indekeu, Joseph O; Smets, Ruben

    2017-01-01

    Physically motivated modified Fisher equations are studied in which nonlinear convection and nonlinear diffusion is allowed for besides the usual growth and spread of a population. It is pointed out that in a large variety of cases separable functions in the form of exponentially decaying sharp wavefronts solve the differential equation exactly provided a co-moving point source or sink is active at the wavefront. The velocity dispersion and front steepness may differ from those of some previously studied exact smooth traveling wave solutions. For an extension of the reaction-diffusion-convection equation, featuring a memory effect in the form of a maturity delay for growth and spread, also smooth exact wavefront solutions are obtained. The stability of the solutions is verified analytically and numerically. (paper)

  9. Traveling wavefront solutions to nonlinear reaction-diffusion-convection equations

    Science.gov (United States)

    Indekeu, Joseph O.; Smets, Ruben

    2017-08-01

    Physically motivated modified Fisher equations are studied in which nonlinear convection and nonlinear diffusion is allowed for besides the usual growth and spread of a population. It is pointed out that in a large variety of cases separable functions in the form of exponentially decaying sharp wavefronts solve the differential equation exactly provided a co-moving point source or sink is active at the wavefront. The velocity dispersion and front steepness may differ from those of some previously studied exact smooth traveling wave solutions. For an extension of the reaction-diffusion-convection equation, featuring a memory effect in the form of a maturity delay for growth and spread, also smooth exact wavefront solutions are obtained. The stability of the solutions is verified analytically and numerically.

  10. On the role of specific interactions in the diffusion of nanoparticles in aqueous polymer solutions.

    Science.gov (United States)

    Mun, Ellina A; Hannell, Claire; Rogers, Sarah E; Hole, Patrick; Williams, Adrian C; Khutoryanskiy, Vitaliy V

    2014-01-14

    Understanding nanoparticle diffusion within non-Newtonian biological and synthetic fluids is essential in designing novel formulations (e.g., nanomedicines for drug delivery, shampoos, lotions, coatings, paints, etc.), but is presently poorly defined. This study reports the diffusion of thiolated and PEGylated silica nanoparticles, characterized by small-angle neutron scattering, in solutions of various water-soluble polymers such as poly(acrylic acid) (PAA), poly(N-vinylpyrrolidone) (PVP), poly(ethylene oxide) (PEO), and hydroxyethylcellulose (HEC) probed using NanoSight nanoparticle tracking analysis. Results show that the diffusivity of nanoparticles is affected by their dimensions, medium viscosity, and, in particular, the specific interactions between nanoparticles and the macromolecules in solution; strong attractive interactions such as hydrogen bonding hamper diffusion. The water-soluble polymers retarded the diffusion of thiolated particles in the order PEO > PVP > PAA > HEC whereas for PEGylated silica particles retardation followed the order PAA > PVP = HEC > PEO. In the absence of specific interactions with the medium, PEGylated nanoparticles exhibit enhanced mobility compared to their thiolated counterparts despite some increase in their dimensions.

  11. Predictability of solute transport in diffusion-controlled hydrogeologic regimes

    International Nuclear Information System (INIS)

    Gillham, R.W.; Cherry, J.A.

    1983-01-01

    Hydrogeologic regimes that are favourable for the subsurface management of low-level radioactive wastes must have transport properties that will limit the migration velocity of contaminants to some acceptably low value. Of equal importance, for the purpose of impact assessment and licensing, is the need to be able to predict, with a reasonable degree of certainty and over long time periods, what the migration velocity of the various contaminants of interest will be. This paper presents arguments to show that in addition to having favourable velocity characteristics, transport in saturated, diffusion-controlled hydrogeologic regimes is considerably more predictable than in the most common alternatives. The classical transport models for unsaturated, saturated-advection-controlled and saturated-diffusion-controlled environments are compared, with particular consideration being given to the difficulties associated with the characterization of the respective transport parameters. Results are presented which show that the diffusion of non-reactive solutes and solutes that react according to a constant partitioning ratio (K/sub d/) are highly predictable under laboratory conditions and that the diffusion coefficients for the reactive solutes can be determined with a reasonable degree of accuracy from independent measurements of bulk density, porosity, distribution coefficient and tortuosity. Field evidence is presented which shows that the distribution of environmental isotopes and chloride in thick clayey deposits is consistent with a diffusion-type transport process in these media. These results are particularly important in that they not only demonstrate the occurrence of diffusion-controlled hydrogeologic regimes, but they also demonstrate the predictability of the migration characteristics over very long time periods

  12. Influence of liquid structure on diffusive isotope separation in molten silicates and aqueous solutions

    Science.gov (United States)

    Watkins, James M.; DePaolo, Donald J.; Ryerson, Frederick J.; Peterson, Brook T.

    2011-06-01

    Molecular diffusion in natural volcanic liquids discriminates between isotopes of major ions (e.g., Fe, Mg, Ca, and Li). Although isotope separation by diffusion is expected on theoretical grounds, the dependence on mass is highly variable for different elements and in different media. Silicate liquid diffusion experiments using simple liquid compositions were carried out to further probe the compositional dependence of diffusive isotopic discrimination and its relationship to liquid structure. Two diffusion couples consisting of the mineral constituents anorthite (CaAl 2Si 2O 8; denoted AN), albite (NaAlSi 3O 8; denoted AB), and diopside (CaMgSi 2O 6; denoted DI) were held at 1450 °C for 2 h and then quenched to ambient pressure and temperature. Major-element as well as Ca and Mg isotope profiles were measured on the recovered quenched glasses. In both experiments, Ca diffuses rapidly with respect to Si. In the AB-AN experiment, D Ca/ D Si ≈ 20 and the efficiency of isotope separation for Ca is much greater than in natural liquid experiments where D Ca/ D Si ≈ 1. In the AB-DI experiment, D Ca/ D Si ≈ 6 and the efficiency of isotope separation is between that of the natural liquid experiments and the AB-AN experiment. In the AB-DI experiment, D Mg/ D Si ≈ 1 and the efficiency of isotope separation for Mg is smaller than it is for Ca yet similar to that observed for Mg in natural liquids. The results from the experiments reported here, in combination with results from natural volcanic liquids, show clearly that the efficiency of diffusive separation of Ca isotopes is systematically related to the solvent-normalized diffusivity - the ratio of the diffusivity of the cation ( D Ca) to the diffusivity of silicon ( D Si). The results on Ca isotopes are consistent with available data on Fe, Li, and Mg isotopes in silicate liquids, when considered in terms of the parameter D cation/ D Si. Cations diffusing in aqueous solutions display a similar relationship

  13. SNOW LINES AS PROBES OF TURBULENT DIFFUSION IN PROTOPLANETARY DISKS

    International Nuclear Information System (INIS)

    Owen, James E.

    2014-01-01

    Sharp chemical discontinuities can occur in protoplanetary disks, particularly at ''snow lines'' where a gas-phase species freezes out to form ice grains. Such sharp discontinuities will diffuse out due to the turbulence suspected to drive angular momentum transport in accretion disks. We demonstrate that the concentration gradient—in the vicinity of the snow line—of a species present outside a snow line but destroyed inside is strongly sensitive to the level of turbulent diffusion (provided the chemical and transport timescales are decoupled) and provides a direct measurement of the radial ''Schmidt number'' (the ratio of the angular momentum transport to radial turbulent diffusion). Taking as an example the tracer species N 2 H + , which is expected to be destroyed inside the CO snow line (as recently observed in TW Hya) we show that ALMA observations possess significant angular resolution to constrain the Schmidt number. Since different turbulent driving mechanisms predict different Schmidt numbers, a direct measurement of the Schmidt number in accretion disks would allow inferences to be made about the nature of the turbulence

  14. Can slow-diffusing solute atoms reduce vacancy diffusion in advanced high-temperature alloys?

    International Nuclear Information System (INIS)

    Goswami, Kamal Nayan; Mottura, Alessandro

    2014-01-01

    The high-temperature mechanical properties of precipitate-strengthened advanced alloys can be heavily influenced by adjusting chemical composition. The widely-accepted argument within the community is that, under certain temperature and loading conditions, plasticity occurs only in the matrix, and dislocations have to rely on thermally-activated climb mechanisms to overcome the barriers to glide posed by the hard precipitates. This is the case for γ′-strengthened Ni-based superalloys. The presence of dilute amounts of slow-diffusing solute atoms, such as Re and W, in the softer matrix phase is thought to reduce plasticity by retarding the climb of dislocations at the interface with the hard precipitate phase. One hypothesis is that the presence of these solutes must hinder the flow of vacancies, which are essential to the climb process. In this work, density functional theory calculations are used to inform two analytical models to describe the effect of solute atoms on the diffusion of vacancies. Results suggest that slow-diffusing solute atoms are not effective at reducing the diffusion of vacancies in these systems

  15. Analytical solution to the hybrid diffusion-transport equation

    International Nuclear Information System (INIS)

    Nanneh, M.M.; Williams, M.M.R.

    1986-01-01

    A special integral equation was derived in previous work using a hybrid diffusion-transport theory method for calculating the flux distribution in slab lattices. In this paper an analytical solution of this equation has been carried out on a finite reactor lattice. The analytical results of disadvantage factors are shown to be accurate in comparison with the numerical results and accurate transport theory calculations. (author)

  16. Similarity Solutions for Multiterm Time-Fractional Diffusion Equation

    Directory of Open Access Journals (Sweden)

    A. Elsaid

    2016-01-01

    Full Text Available Similarity method is employed to solve multiterm time-fractional diffusion equation. The orders of the fractional derivatives belong to the interval (0,1] and are defined in the Caputo sense. We illustrate how the problem is reduced from a multiterm two-variable fractional partial differential equation to a multiterm ordinary fractional differential equation. Power series solution is obtained for the resulting ordinary problem and the convergence of the series solution is discussed. Based on the obtained results, we propose a definition for a multiterm error function with generalized coefficients.

  17. Influence of supersaturated carbon on the diffusion of Ni in ferrite determined by atom probe tomography

    KAUST Repository

    Kresse, T.; Li, Yujiao; Boll, Torben; Borchers, Christine; Choi, Pyuckpa; Al-Kassab, Talaat; Raabe, Dierk; Kirchheim, Reiner

    2013-01-01

    In patented and cold-drawn pearlitic steel wires dissociation of cementite occurs during mechanical deformation. In this study the influence of the carbon decomposition on the diffusion of nickel in ferrite is investigated by means of atom probe tomography. In the temperature range 423-523 K we observed a much smaller activation energy of Ni diffusion than for self-diffusion in body-centered cubic iron, indicating an increased vacancy density owing to enhanced formation of vacancy-carbon complexes. © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  18. Influence of supersaturated carbon on the diffusion of Ni in ferrite determined by atom probe tomography

    KAUST Repository

    Kresse, T.

    2013-09-01

    In patented and cold-drawn pearlitic steel wires dissociation of cementite occurs during mechanical deformation. In this study the influence of the carbon decomposition on the diffusion of nickel in ferrite is investigated by means of atom probe tomography. In the temperature range 423-523 K we observed a much smaller activation energy of Ni diffusion than for self-diffusion in body-centered cubic iron, indicating an increased vacancy density owing to enhanced formation of vacancy-carbon complexes. © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  19. Optimizing Filter-Probe Diffusion Weighting in the Rat Spinal Cord for Human Translation

    Directory of Open Access Journals (Sweden)

    Matthew D. Budde

    2017-12-01

    Full Text Available Diffusion tensor imaging (DTI is a promising biomarker of spinal cord injury (SCI. In the acute aftermath, DTI in SCI animal models consistently demonstrates high sensitivity and prognostic performance, yet translation of DTI to acute human SCI has been limited. In addition to technical challenges, interpretation of the resulting metrics is ambiguous, with contributions in the acute setting from both axonal injury and edema. Novel diffusion MRI acquisition strategies such as double diffusion encoding (DDE have recently enabled detection of features not available with DTI or similar methods. In this work, we perform a systematic optimization of DDE using simulations and an in vivo rat model of SCI and subsequently implement the protocol to the healthy human spinal cord. First, two complementary DDE approaches were evaluated using an orientationally invariant or a filter-probe diffusion encoding approach. While the two methods were similar in their ability to detect acute SCI, the filter-probe DDE approach had greater predictive power for functional outcomes. Next, the filter-probe DDE was compared to an analogous single diffusion encoding (SDE approach, with the results indicating that in the spinal cord, SDE provides similar contrast with improved signal to noise. In the SCI rat model, the filter-probe SDE scheme was coupled with a reduced field of view (rFOV excitation, and the results demonstrate high quality maps of the spinal cord without contamination from edema and cerebrospinal fluid, thereby providing high sensitivity to injury severity. The optimized protocol was demonstrated in the healthy human spinal cord using the commercially-available diffusion MRI sequence with modifications only to the diffusion encoding directions. Maps of axial diffusivity devoid of CSF partial volume effects were obtained in a clinically feasible imaging time with a straightforward analysis and variability comparable to axial diffusivity derived from DTI

  20. Measuring minority-carrier diffusion length using a Kelvin probe force microscope

    International Nuclear Information System (INIS)

    Shikler, R.; Fried, N.; Meoded, T.; Rosenwaks, Y.

    2000-01-01

    A method based on Kelvin probe force microscopy for measuring minority-carrier diffusion length in semiconductors is described. The method is based on measuring the surface photovoltage between the tip of an atomic force microscope and the surface of an illuminated semiconductor junction. The photogenerated carriers diffuse to the junction and change the contact potential difference between the tip and the sample, as a function of the distance from the junction. The diffusion length L is then obtained by fitting the measured contact potential difference using the minority-carrier continuity equation. The method was applied to measurements of electron diffusion length in GaP pn and Schottky junctions. The measured diffusion length was found to be ∼2 μm, in good agreement with electron beam induced current measurements

  1. Estimating thermal diffusivity and specific heat from needle probe thermal conductivity data

    Science.gov (United States)

    Waite, W.F.; Gilbert, L.Y.; Winters, W.J.; Mason, D.H.

    2006-01-01

    Thermal diffusivity and specific heat can be estimated from thermal conductivity measurements made using a standard needle probe and a suitably high data acquisition rate. Thermal properties are calculated from the measured temperature change in a sample subjected to heating by a needle probe. Accurate thermal conductivity measurements are obtained from a linear fit to many tens or hundreds of temperature change data points. In contrast, thermal diffusivity calculations require a nonlinear fit to the measured temperature change occurring in the first few tenths of a second of the measurement, resulting in a lower accuracy than that obtained for thermal conductivity. Specific heat is calculated from the ratio of thermal conductivity to diffusivity, and thus can have an uncertainty no better than that of the diffusivity estimate. Our thermal conductivity measurements of ice Ih and of tetrahydrofuran (THF) hydrate, made using a 1.6 mm outer diameter needle probe and a data acquisition rate of 18.2 pointss, agree with published results. Our thermal diffusivity and specific heat results reproduce published results within 25% for ice Ih and 3% for THF hydrate. ?? 2006 American Institute of Physics.

  2. Translational and rotational diffusion of flexible PEG and rigid dendrimer probes in sodium caseinate dispersions and acid gels.

    Science.gov (United States)

    Salami, Souad; Rondeau-Mouro, Corinne; Barhoum, Myriam; van Duynhoven, John; Mariette, François

    2014-09-01

    The dynamics of rigid dendrimer and flexible PEG probes in sodium caseinate dispersions and acid gels, including both translational diffusion and rotational diffusion, were studied by NMR. Above the onset of the close-packing limit (C ∼ 10 g/100 g H2 O), translational diffusion of the probe depended on its flexibility and on the fluctuations of the matrix chains. The PEG probe diffused more rapidly than the spherical dendrimer probe of corresponding hydrodynamic radius. The greater conformational flexibility of PEG facilitated its motion through the crowded casein matrix. Rotational diffusion was, however, substantially less hindered than the translational diffusion and depended on the local protein-probe friction which became high when the casein concentration increased. The coagulation of the matrix led to the formation of large voids, which resulted in an increase in the translational diffusion of the probes, whereas the rotational diffusion of the probes was retarded in the gel, which could be attributed to the immobilized environment surrounding the probe. Quantitative information from PFG-NMR and SEM micrographs have been combined for characterizing microstructural details in SC acid gels. © 2014 Wiley Periodicals, Inc.

  3. On matrix diffusion: formulations, solution methods and qualitative effects

    Science.gov (United States)

    Carrera, Jesús; Sánchez-Vila, Xavier; Benet, Inmaculada; Medina, Agustín; Galarza, Germán; Guimerà, Jordi

    Matrix diffusion has become widely recognized as an important transport mechanism. Unfortunately, accounting for matrix diffusion complicates solute-transport simulations. This problem has led to simplified formulations, partly motivated by the solution method. As a result, some confusion has been generated about how to properly pose the problem. One of the objectives of this work is to find some unity among existing formulations and solution methods. In doing so, some asymptotic properties of matrix diffusion are derived. Specifically, early-time behavior (short tests) depends only on φm2RmDm / Lm2, whereas late-time behavior (long tracer tests) depends only on φmRm, and not on matrix diffusion coefficient or block size and shape. The latter is always true for mean arrival time. These properties help in: (a) analyzing the qualitative behavior of matrix diffusion; (b) explaining one paradox of solute transport through fractured rocks (the apparent dependence of porosity on travel time); (c) discriminating between matrix diffusion and other problems (such as kinetic sorption or heterogeneity); and (d) describing identifiability problems and ways to overcome them. RésuméLa diffusion matricielle est un phénomène reconnu maintenant comme un mécanisme de transport important. Malheureusement, la prise en compte de la diffusion matricielle complique la simulation du transport de soluté. Ce problème a conduit à des formulations simplifiées, en partie à cause de la méthode de résolution. Il s'en est suivi une certaine confusion sur la façon de poser correctement le problème. L'un des objectifs de ce travail est de trouver une certaine unité parmi les formulations et les méthodes de résolution. C'est ainsi que certaines propriétés asymptotiques de la diffusion matricielle ont été dérivées. En particulier, le comportement à l'origine (expériences de traçage courtes) dépend uniquement du terme φm2RmDm / Lm2, alors que le comportement à long terme

  4. On the numerical solution of the neutron fractional diffusion equation

    International Nuclear Information System (INIS)

    Maleki Moghaddam, Nader; Afarideh, Hossein; Espinosa-Paredes, Gilberto

    2014-01-01

    Highlights: • The new version of neutron diffusion equation which established on the fractional derivatives is presented. • The Neutron Fractional Diffusion Equation (NFDE) is solved in the finite differences frame. • NFDE is solved using shifted Grünwald-Letnikov definition of fractional operators. • The results show that “K eff ” strongly depends on the order of fractional derivative. - Abstract: In order to core calculation in the nuclear reactors there is a new version of neutron diffusion equation which is established on the fractional partial derivatives, named Neutron Fractional Diffusion Equation (NFDE). In the NFDE model, neutron flux in each zone depends directly on the all previous zones (not only on the nearest neighbors). Under this circumstance, it can be said that the NFDE has the space history. We have developed a one-dimension code, NFDE-1D, which can simulate the reactor core using arbitrary exponent of differential operators. In this work a numerical solution of the NFDE is presented using shifted Grünwald-Letnikov definition of fractional derivative in finite differences frame. The model is validated with some numerical experiments where different orders of fractional derivative are considered (e.g. 0.999, 0.98, 0.96, and 0.94). The results show that the effective multiplication factor (K eff ) depends strongly on the order of fractional derivative

  5. Localized modulated wave solutions in diffusive glucose–insulin systems

    Energy Technology Data Exchange (ETDEWEB)

    Mvogo, Alain, E-mail: mvogal_2009@yahoo.fr [Laboratory of Biophysics, Department of Physics, Faculty of Science, University of Yaounde I, P.O. Box 812, University of Yaounde (Cameroon); Centre d' Excellence Africain en Technologies de l' Information et de la Communication, University of Yaounde I (Cameroon); Tambue, Antoine [The African Institute for Mathematical Sciences (AIMS) and Stellenbosch University, 6-8 Melrose Road, Muizenberg 7945 (South Africa); Center for Research in Computational and Applied Mechanics (CERECAM), and Department of Mathematics and Applied Mathematics, University of Cape Town, 7701 Rondebosch (South Africa); Ben-Bolie, Germain H. [Centre d' Excellence Africain en Technologies de l' Information et de la Communication, University of Yaounde I (Cameroon); Laboratory of Nuclear Physics, Department of Physics, Faculty of Science, University of Yaounde I, P.O. Box 812, University of Yaounde (Cameroon); Kofané, Timoléon C. [Centre d' Excellence Africain en Technologies de l' Information et de la Communication, University of Yaounde I (Cameroon); Laboratory of Mechanics, Department of Physics, Faculty of Science, University of Yaounde I, P.O. Box 812, University of Yaounde (Cameroon)

    2016-06-03

    We investigate intercellular insulin dynamics in an array of diffusively coupled pancreatic islet β-cells. The cells are connected via gap junction coupling, where nearest neighbor interactions are included. Through the multiple scale expansion in the semi-discrete approximation, we show that the insulin dynamics can be governed by the complex Ginzburg–Landau equation. The localized solutions of this equation are reported. The results suggest from the biophysical point of view that the insulin propagates in pancreatic islet β-cells using both temporal and spatial dimensions in the form of localized modulated waves. - Highlights: • The dynamics of an array of diffusively coupled pancreatic islet beta-cells is investigated. • Through the multiple scale expansion, we show that the insulin dynamics can be governed by the complex Ginzburg–Landau equation. • Localized modulated waves are obtained for the insulin dynamics.

  6. Parallel solutions of the two-group neutron diffusion equations

    International Nuclear Information System (INIS)

    Zee, K.S.; Turinsky, P.J.

    1987-01-01

    Recent efforts to adapt various numerical solution algorithms to parallel computer architectures have addressed the possibility of substantially reducing the running time of few-group neutron diffusion calculations. The authors have developed an efficient iterative parallel algorithm and an associated computer code for the rapid solution of the finite difference method representation of the two-group neutron diffusion equations on the CRAY X/MP-48 supercomputer having multi-CPUs and vector pipelines. For realistic simulation of light water reactor cores, the code employees a macroscopic depletion model with trace capability for selected fission product transients and critical boron. In addition to this, moderator and fuel temperature feedback models are also incorporated into the code. The validity of the physics models used in the code were benchmarked against qualified codes and proved accurate. This work is an extension of previous work in that various feedback effects are accounted for in the system; the entire code is structured to accommodate extensive vectorization; and an additional parallelism by multitasking is achieved not only for the solution of the matrix equations associated with the inner iterations but also for the other segments of the code, e.g., outer iterations

  7. Multigrid solution of diffusion equations on distributed memory multiprocessor systems

    International Nuclear Information System (INIS)

    Finnemann, H.

    1988-01-01

    The subject is the solution of partial differential equations for simulation of the reactor core on high-performance computers. The parallelization and implementation of nodal multigrid diffusion algorithms on array and ring configurations of the DIRMU multiprocessor system is outlined. The particular iteration scheme employed in the nodal expansion method appears similarly efficient in serial and parallel environments. The combination of modern multi-level techniques with innovative hardware (vector-multiprocessor systems) provides powerful tools needed for real time simulation of physical systems. The parallel efficiencies range from 70 to 90%. The same performance is estimated for large problems on large multiprocessor systems being designed at present. (orig.) [de

  8. On the solutions of fractional reaction-diffusion equations

    Directory of Open Access Journals (Sweden)

    Jagdev Singh

    2013-05-01

    Full Text Available In this paper, we obtain the solution of a fractional reaction-diffusion equation associated with the generalized Riemann-Liouville fractional derivative as the time derivative and Riesz-Feller fractional derivative as the space-derivative. The results are derived by the application of the Laplace and Fourier transforms in compact and elegant form in terms of Mittag-Leffler function and H-function. The results obtained here are of general nature and include the results investigated earlier by many authors.

  9. In situ study of radionuclide diffusion into clays with specific device: Autolab probe

    International Nuclear Information System (INIS)

    Porcheron, J.

    1993-01-01

    The aim of this shared cost contract between the French Atomic Energy Commissariat, Nuclear Safety and Protection Institute and the Commission of the European Communities was to build and use an experimental drilling probe, the AUTOLAB prob, which was designed to measure the diffusion into clay of radioactive pollutants originating from a high activity waste storage. The measurement was carried out in-situ during drilling. The probe is equipped a new operating mode which involves using the pressure of the drilling water as its source of energy. The probe is autonomous and can stay in the bore hole for an extensive period of time without requiring any monitoring and without introducing any pollution. The diffusion experiment was carried out in a bore-hole at the JRC in ISPRA (ITALY). Two diffusion experiments were carried out in identical conditions (clay, 85Sr tracer, water samples), one in Laboratory, (ISPRA JRC Radiochemistry Laboratory, ITALY), and the other in-situ. The results displayed that 85Sr diffusion was considerably faster in the in-situ experiment than in that conducted in Laboratory. The explanation for this phenomenon, which could be due to the balance of carbonates, has not yet been clearly established. This test shows the value of comparing laboratory tests with in-situ tests conducted accurately using well adapted equipment. 9 refs., 10 figs

  10. Thermal diffusivity of diamond nanowires studied by laser assisted atom probe tomography

    Science.gov (United States)

    Arnoldi, L.; Spies, M.; Houard, J.; Blum, I.; Etienne, A.; Ismagilov, R.; Obraztsov, A.; Vella, A.

    2018-04-01

    The thermal properties of single-crystal diamond nanowires (NWs) have been calculated from first principles but have never been measured experimentally. Taking advantage of the sharp geometry of samples analyzed in a laser assisted atom probe, this technique is used to measure the thermal diffusivity of a single NW at low temperature (ab-initio calculations and confirms that thermal diffusivity in nanoscale samples is lower than in bulk samples. The results impact the design and integration of diamond NWs and nanoneedles in nanoscale devices for heat dissipation.

  11. Measurement of the thermal diffusivity and speed of sound of hydrothermal solutions via the laser-induced grating technique

    International Nuclear Information System (INIS)

    Butenhoff, T.J.

    1994-01-01

    Hydrothermal processing is being developed as a method for organic destruction for the Hanford Site in Washington. Hydrothermal processing refers to the redox reactions of chemical compounds in supercritical or near-supercritical aqueous solutions. In order to design reactors for the hydrothermal treatment of complicated mixtures found in the Hanford wastes, engineers need to know the thermophysical properties of the solutions under hydrothermal conditions. The author used the laser-induced grating technique to measure the thermal diffusivity and speed of sound of hydrothermal solutions. In this non-invasive optical technique, a transient grating is produced in the hydrothermal solution by optical absorption from two crossed time-coincident nanosecond laser pulses. The grating is probed by measuring the diffraction efficiency of a third laser beam. The grating relaxes via thermal diffusion, and the thermal diffusivity can be determined by measuring the decay of the grating diffraction efficiency as a function of the pump-probe delay time. In addition, intense pump pulses produce counterpropagating acoustic waves that appear as large undulations in the transient grating decay spectrum. The speed of sound in the sample is simply the grating fringe spacing divided by the undulation period. The cell is made from a commercial high pressure fitting and is equipped with two diamond windows for optical access. Results are presented for dilute dye/water solutions with T = 400 C and pressures between 20 and 70 MPa

  12. Solution of the atmospheric diffusion equation with a realistic diffusion coefficient and time dependent mixing height

    International Nuclear Information System (INIS)

    Mayhoub, A.B.; Etman, S.M.

    1997-01-01

    One dimensional model for the dispersion of a passive atmospheric contaminant (neglecting chemical reactions) in the atmospheric boundary layer is introduced. The differential equation representing the dispersion of pollutants is solved on the basis of gradient-transfer theory (K- theory). The present approach deals with a more appropriate and realistic profile for the diffusion coefficient K, which is expressed in terms of the friction velocity U, the vertical coordinate z and the depth of the mixing layer h, which is taken time dependent. After some mathematical simplification, the equation analytic obtained solution can be easily applied to case study concerning atmospheric dispersion of pollutants

  13. Diffuse neutron scattering study of metallic interstitial solid solutions

    International Nuclear Information System (INIS)

    Barberis, P.

    1991-10-01

    We studied two interstitial solid solutions (Ni-C(1at%) and Nb-O(2at%) and two stabilized zirconia (ZrO2-CaO(13.6mol%) and ZrO2-Y2O3(9.6mol%) by elastic diffuse neutron scattering. We used polarized neutron scattering in the case of the ferromagnetic Ni-based sample, in order to determine the magnetic perturbation induced by the C atoms. Measurements were made on single crystals in the Laboratoire Leon Brillouin (CEA-CNRS, Saclay, France). An original algorithm to deconvolve time-of-flight spectra improved the separation between elastically and inelastically scattered intensities. In the case of metallic solutions, we used a simple non-linear model, assuming that interstitials are isolated and located in octahedral sites. Results are: - in both compounds, nearest neighbours are widely displaced away from the interstitial, while next nearest neighbours come slightly closer. - the large magnetic perturbation induced by carbon in Nickel decreases with increasing distance on the three first neighbour shells and is in good agreement with the total magnetization variation. - no chemical order between solute atoms could be evidenced. Stabilized zirconia exhibit a strong correlation between chemical order and the large displacements around vacancies and dopants. (Author). 132 refs., 38 figs., 13 tabs

  14. Intraparticle diffusion of rare earths in porous ion exchanger rounding by EDTA solution

    International Nuclear Information System (INIS)

    Ling Daren; Xie Weije

    1991-01-01

    The self-diffusion of rate earth (RE) isotopes in porous cation exchangers with various radii or different pore structures rounding by EDTA solution was studied. The intraparticle effective diffusivity De was calculated by Boyd's method and Kataoka's bi-disperse pore model, and through further calculation the solid phase diffusivity Dg and macropore diffusivity Dp were also obtained. (author)

  15. Solution of 3-dimensional diffusion equation by finite Fourier transformation

    International Nuclear Information System (INIS)

    Krishnani, P.D.

    1978-01-01

    Three dimensional diffusion equation in Cartesian co-ordinates is solved by using the finite Fourier transformation. This method is different from the usual Fourier transformation method in the sense that the solutions are obtained without performing the inverse Fourier transformation. The advantage has been taken of the fact that the flux is finite and integrable in the finite region. By applying this condition, a two-dimensional integral equation, involving flux and its normal derivative at the boundary, is obtained. By solving this equation with given boundary conditions, all of the boundary values are determined. In order to calculate the flux inside the region, flux is expanded into three-dimensional Fourier series. The Fourier coefficients of the flux in the region are calculated from the boundary values. The advantage of this method is that the integrated flux is obtained without knowing the fluxes inside the region as in the case of finite difference method. (author)

  16. Lattice diffusion of a single molecule in solution

    Science.gov (United States)

    Ruggeri, Francesca; Krishnan, Madhavi

    2017-12-01

    The ability to trap a single molecule in an electrostatic potential well in solution has opened up new possibilities for the use of molecular electrical charge to study macromolecular conformation and dynamics at the level of the single entity. Here we study the diffusion of a single macromolecule in a two-dimensional lattice of electrostatic traps in solution. We report the ability to measure both the size and effective electrical charge of a macromolecule by observing single-molecule transport trajectories, typically a few seconds in length, using fluorescence microscopy. While, as shown previously, the time spent by the molecule in a trap is a strong function of its effective charge, we demonstrate here that the average travel time between traps in the landscape yields its hydrodynamic radius. Tailoring the pitch of the lattice thus yields two different experimentally measurable time scales that together uniquely determine both the size and charge of the molecule. Since no information is required on the location of the molecule between consecutive departure and arrival events at lattice sites, the technique is ideally suited to measurements on weakly emitting entities such as single molecules.

  17. Hydration and rotational diffusion of levoglucosan in aqueous solutions

    Science.gov (United States)

    Corezzi, S.; Sassi, P.; Paolantoni, M.; Comez, L.; Morresi, A.; Fioretto, D.

    2014-05-01

    Extended frequency range depolarized light scattering measurements of water-levoglucosan solutions are reported at different concentrations and temperatures to assess the effect of the presence and distribution of hydroxyl groups on the dynamics of hydration water. The anhydro bridge, reducing from five to three the number of hydroxyl groups with respect to glucose, considerably affects the hydration properties of levoglucosan with respect to those of mono and disaccharides. In particular, we find that the average retardation of water dynamics is ≈3-4, that is lower than ≈5-6 previously found in glucose, fructose, trehalose, and sucrose. Conversely, the average number of retarded water molecules around levoglucosan is 24, almost double that found in water-glucose mixtures. These results suggest that the ability of sugar molecules to form H-bonds through hydroxyl groups with surrounding water, while producing a more effective retardation, it drastically reduces the spatial extent of the perturbation on the H-bond network. In addition, the analysis of the concentration dependence of the hydration number reveals the aptitude of levoglucosan to produce large aggregates in solution. The analysis of shear viscosity and rotational diffusion time suggests a very short lifetime for these aggregates, typically faster than ≈20 ps.

  18. Influence of liquid structure on diffusive isotope separation in molten silicates and aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Watkins, J.M.; DePaolo, D.J.; Ryerson, F.J.; Peterson, B.

    2011-03-01

    Molecular diffusion in natural volcanic liquids discriminates between isotopes of major ions (e.g., Fe, Mg, Ca, and Li). Although isotope separation by diffusion is expected on theoretical grounds, the dependence on mass is highly variable for different elements and in different media. Silicate liquid diffusion experiments using simple liquid compositions were carried out to further probe the compositional dependence of diffusive isotopic discrimination and its relationship to liquid structure. Two diffusion couples consisting of the mineral constituents anorthite (CaAl{sub 2}Si{sub 2}O{sub 8}; denoted AN), albite (NaAlSi{sub 3}O{sub 8}; denoted AB), and diopside (CaMgSi{sub 2}O{sub 6}; denoted DI) were held at 1450°C for 2 h and then quenched to ambient pressure and temperature. Major-element as well as Ca and Mg isotope profiles were measured on the recovered quenched glasses. In both experiments, Ca diffuses rapidly with respect to Si. In the AB–AN experiment, D{sub Ca}/D{sub Si} ~ 20 and the efficiency of isotope separation for Ca is much greater than in natural liquid experiments where D{sub Ca}/D{sub Si} ~ 1. In the AB–DI experiment, D{sub Ca}/D{sub Si} ~ 6 and the efficiency of isotope separation is between that of the natural liquid experiments and the AB–AN experiment. In the AB–DI experiment, D{sub Mg}/D{sub Si} ~ 1 and the efficiency of isotope separation for Mg is smaller than it is for Ca yet similar to that observed for Mg in natural liquids. The results from the experiments reported here, in combination with results from natural volcanic liquids, show clearly that the efficiency of diffusive separation of Ca isotopes is systematically related to the solvent-normalized diffusivity—the ratio of the diffusivity of the cation (D{sub Ca}) to the diffusivity of silicon (D{sub Si}). The results on Ca isotopes are consistent with available data on Fe, Li, and Mg isotopes in silicate liquids, when considered in terms of the parameter D{sub cation

  19. Probing GFP-actin diffusion in living cells using fluorescence correlation spectroscopy

    International Nuclear Information System (INIS)

    Engelke, Hanna; Heinrich, Doris; Rädler, Joachim O.

    2010-01-01

    The cytoskeleton of eukaryotic cells is continuously remodeled by polymerization and depolymerization of actin. Consequently, the relative content of polymerized filamentous actin (F-actin) and monomeric globular actin (G-actin) is subject to temporal and spatial fluctuations. Since fluorescence correlation spectroscopy (FCS) can measure the diffusion of fluorescently labeled actin it seems likely that FCS allows us to determine the dynamics and hence indirectly the structural properties of the cytoskeleton components with high spatial resolution. To this end we investigate the FCS signal of GFP-actin in living Dictyostelium discoideum cells and explore the inherent spatial and temporal signatures of the actin cytoskeleton. Using the free green fluorescent protein (GFP) as a reference, we find that actin diffusion inside cells is dominated by G-actin and slower than diffusion in diluted cell extract. The FCS signal in the dense cortical F-actin network near the cell membrane is probed using the cytoskeleton protein LIM and is found to be slower than cytosolic G-actin diffusion. Furthermore, we show that polymerization of the cytoskeleton induced by Jasplakinolide leads to a substantial decrease of G-actin diffusion. Pronounced fluctuations in the distribution of the FCS correlation curves can be induced by latrunculin, which is known to induce actin waves. Our work suggests that the FCS signal of GFP-actin in combination with scanning or spatial correlation techniques yield valuable information about the local dynamics and concomitant cytoskeletal properties

  20. A multi-probe thermophoretic soot sampling system for high-pressure diffusion flames

    Energy Technology Data Exchange (ETDEWEB)

    Vargas, Alex M.; Gülder, Ömer L. [Institute for Aerospace Studies, University of Toronto, Toronto, Ontario M3H 5T6 (Canada)

    2016-05-15

    Optical diagnostics and physical probing of the soot processes in high pressure combustion pose challenges that are not faced in atmospheric flames. One of the preferred methods of studying soot in atmospheric flames is in situ thermophoretic sampling followed by transmission electron microscopy imaging and analysis for soot sizing and morphology. The application of this method of sampling to high pressures has been held back by various operational and mechanical problems. In this work, we describe a rotating disk multi-probe thermophoretic soot sampling system, driven by a microstepping stepper motor, fitted into a high-pressure chamber capable of producing sooting laminar diffusion flames up to 100 atm. Innovative aspects of the sampling system design include an easy and precise control of the sampling time down to 2.6 ms, avoidance of the drawbacks of the pneumatic drivers used in conventional thermophoretic sampling systems, and the capability to collect ten consecutive samples in a single experimental run. Proof of principle experiments were performed using this system in a laminar diffusion flame of methane, and primary soot diameter distributions at various pressures up to 10 atm were determined. High-speed images of the flame during thermophoretic sampling were recorded to assess the influence of probe intrusion on the flow field of the flame.

  1. Existence and stability of periodic solutions for a delayed prey-predator model with diffusion effects

    Directory of Open Access Journals (Sweden)

    Hongwei Liang

    2016-01-01

    Full Text Available Existence and stability of spatially periodic solutions for a delay prey-predator diffusion system are concerned in this work. We obtain that the system can generate the spatially nonhomogeneous periodic solutions when the diffusive rates are suitably small. This result demonstrates that the diffusion plays an important role on deriving the complex spatiotemporal dynamics. Meanwhile, the stability of the spatially periodic solutions is also studied. Finally, in order to verify our theoretical results, some numerical simulations are also included.

  2. Influence of probe pressure on diffuse reflectance spectra of human skin measured in vivo

    Science.gov (United States)

    Popov, Alexey P.; Bykov, Alexander V.; Meglinski, Igor V.

    2017-11-01

    Mechanical pressure superficially applied on the human skin surface by a fiber-optic probe influences the spatial distribution of blood within the cutaneous tissues. Upon gradual load of weight on the probe, a stepwise increase in the skin reflectance spectra is observed. The decrease in the load follows the similar inverse staircase-like tendency. The observed stepwise reflectance spectra changes are due to, respectively, sequential extrusion of blood from the topical cutaneous vascular beds and their filling afterward. The obtained results are confirmed by Monte Carlo modeling. This implies that pressure-induced influence during the human skin diffuse reflectance spectra measurements in vivo should be taken into consideration, in particular, in the rapidly developing area of wearable gadgets for real-time monitoring of various human body parameters.

  3. An effective colorimetric and ratiometric fluorescent probe for bisulfite in aqueous solution

    International Nuclear Information System (INIS)

    Dai, Xi; Zhang, Tao; Du, Zhi-Fang; Cao, Xiang-Jian; Chen, Ming-Yu; Hu, Sheng-Wen; Miao, Jun-Ying; Zhao, Bao-Xiang

    2015-01-01

    We have developed the first two-photon colorimetric and ratiometric fluorescent probe, BICO, for the detection of bisulfite (HSO 3 − ) in aqueous solution. The probe contains coumarin and benzimidazole moieties and can detect HSO 3 − based on the Michael addition reaction with a limit of detection 5.3 × 10 −8  M in phosphate-buffered saline solution. The probe was used to detect bisulfite in tap water, sugar and dry white wine. Moreover, test strips were made and used easily. We successfully applied the probe to image living cells, using one-photon fluorescence imaging. BICO overcomes the limitations in sensitivity of previously reported probes and the solvation effect of bisulfite, which demonstrates its excellent value in practical application. - Highlights: • A colorimetric and ratiometric fluorescent probe was developed. • The probe could detect bisulfite in PBS buffer solution and real samples. • Bisulfite test paper was made to naked-eye detect bisulfite. • This probe successfully used to living cell imaging in ratiometric manner

  4. An effective colorimetric and ratiometric fluorescent probe for bisulfite in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Dai, Xi [Institute of Organic Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100 (China); Zhang, Tao [Institute of Developmental Biology, School of Life Science, Shandong University, Jinan 250100 (China); Du, Zhi-Fang; Cao, Xiang-Jian; Chen, Ming-Yu [Institute of Organic Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100 (China); Taishan College, Shandong University, Jinan 250100 (China); Hu, Sheng-Wen [Institute of Organic Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100 (China); Miao, Jun-Ying, E-mail: miaojy@sdu.edu.cn [Institute of Developmental Biology, School of Life Science, Shandong University, Jinan 250100 (China); Zhao, Bao-Xiang, E-mail: bxzhao@sdu.edu.cn [Institute of Organic Chemistry, School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100 (China)

    2015-08-12

    We have developed the first two-photon colorimetric and ratiometric fluorescent probe, BICO, for the detection of bisulfite (HSO{sub 3}{sup −}) in aqueous solution. The probe contains coumarin and benzimidazole moieties and can detect HSO{sub 3}{sup −} based on the Michael addition reaction with a limit of detection 5.3 × 10{sup −8} M in phosphate-buffered saline solution. The probe was used to detect bisulfite in tap water, sugar and dry white wine. Moreover, test strips were made and used easily. We successfully applied the probe to image living cells, using one-photon fluorescence imaging. BICO overcomes the limitations in sensitivity of previously reported probes and the solvation effect of bisulfite, which demonstrates its excellent value in practical application. - Highlights: • A colorimetric and ratiometric fluorescent probe was developed. • The probe could detect bisulfite in PBS buffer solution and real samples. • Bisulfite test paper was made to naked-eye detect bisulfite. • This probe successfully used to living cell imaging in ratiometric manner.

  5. In situ composition measurements of Bunsen reaction solution by radiation probes

    Energy Technology Data Exchange (ETDEWEB)

    Kubo, Shinji; Nagaya, Yasunobu [Japan Atomic Energy Agency (Japan)

    2010-07-01

    Measuring equipments are integral to chemical process controls. A stable hydrogen production by the Iodine-Sulfur thermochemical water-splitting process is relatively difficult because of lack of existing in situ composition measurement techniques for multiple components and corrosive solution. Composition regulations of Bunsen reaction solution is particularly important, since a closed cycle system provided with this process causes that the many streams with different composition return to this section. Accordingly Bunsen solution becomes changeable composition. Radiation probes have a potential for applications to determine this multiple component solution while the non-contact approach avoids the corrosive issues. Moreover the probes have features of the promptness, contact-less and sequential use. Laboratory scale experiments to evaluate these possibilities of the measurement were conducted with use of simulated Bunsen solution, HIx solution and H{sub 2}SO{sub 4} solution, containing HI, I2, H{sub 2}SO{sub 4} and H{sub 2}O and sealed radiation sources. Radiations were counted, which were interacted with the solutions in various compositions around room temperature contained in vessels. For HIx solution, the obtained counting rates were correlated with hydrogen volume concentrations; moreover, the application of the Monte Carlo method suggests possibilities that the detector responses for HIx solution by the radiation probes are predictable. For H{sub 2}SO{sub 4} solution, iodine atoms had significant influences on the relationship between output values of two gamma-ray density meters, cesium source as higher energy and barium source as lower energy. This results suggest that the neutron ray probe, the gamma-ray probes of both lower energy and higher energy have possibilities to determine the composition of Bunsen solution of HIx and H{sub 2}SO{sub 4} solutions. (orig.)

  6. A highly sensitive fluorescent probe based on BODIPY for Hg2+ in aqueous solution

    Directory of Open Access Journals (Sweden)

    ZHAO Junwei

    2016-12-01

    Full Text Available A highly sensitive fluorescent probe based on BODIPY and hydrazine for Hg2+ was designed and synthesized.This probe could detect mercury ions in aqueous solutions within 5 min.With the increase of Hg2+ mole concentration,an obvious red shift of UV-Vis absorption wavelength was observed and the fluorescence intensity significantly enhanced.It was found that the fluorescence intensity of an aqueous solution containing 0.1 μmol/L Hg2+ is much stronger than that of blank solution,which indicats that the fluorescent probe has high sensitivity.In addition,other metal ions could not cause the change of fluorescent spectra,which means this probe has good selectivity,as well.

  7. Probing Spin Crossover in a Solution by Paramagnetic NMR Spectroscopy.

    Science.gov (United States)

    Pavlov, Alexander A; Denisov, Gleb L; Kiskin, Mikhail A; Nelyubina, Yulia V; Novikov, Valentin V

    2017-12-18

    Spin transitions in spin-crossover compounds are now routinely studied in the solid state by magnetometry; however, only a few methods exist for studies in solution. The currently used Evans method, which relies on NMR spectroscopy to measure the magnetic susceptibility, requires the availability of a very pure sample of the paramagnetic compound and its exact concentration. To overcome these limitations, we propose an alternative NMR-based technique for evaluating spin-state populations by only using the chemical shifts of a spin-crossover compound; those can be routinely obtained for a solution that contains unknown impurities and paramagnetic admixtures or is contaminated otherwise.

  8. Kalman Filtering and Smoothing of the Van Allen Probes Observations to Estimate the Radial, Energy and Pitch Angle Diffusion Rates

    Science.gov (United States)

    Podladchikova, T.; Shprits, Y.; Kellerman, A. C.

    2015-12-01

    The Kalman filter technique combines the strengths of new physical models of the Earth's radiation belts with long-term spacecraft observations of electron fluxes and therefore provide an extremely useful method for the analysis of the state and evolution of the electron radiation belts. However, to get the reliable data assimilation output, the Kalman filter application is confronted with a set of fundamental problems. E.g., satellite measurements are usually limited to a single location in space, which confines the reconstruction of the global evolution of the radiation environment. The uncertainties arise from the imperfect description of the process dynamics and the presence of observation errors, which may cause the failure of data assimilation solution. The development of adaptive Kalman filter that combines the Van Allen Probes data and 3-D VERB code, its accurate customizations in the reconstruction of model describing the phase space density (PSD) evolution, extension of the possibilities to use measurement information, and the model adjustment by developing the identification techniques of model and measurement errors allowed us to reveal hidden and implicit regularities of the PSD dynamics and obtain quantitative and qualitative estimates of radial, energy and pitch angle diffusion characteristics from satellite observations. In this study we propose an approach to estimate radial, energy and pitch angle diffusion rates, as well as the direction of their propagation.

  9. A new analytical solution to the diffusion problem: Fourier series ...

    African Journals Online (AJOL)

    This paper reviews briefly the origin of Fourier Series Method. The paper then gives a vivid description of how the method can be applied to solve a diffusion problem, subject to some boundary conditions. The result obtained is quite appealing as it can be used to solve similar examples of diffusion equations. JONAMP Vol.

  10. Using solar oscillations to probe the effects of element diffusion in the solar interior

    International Nuclear Information System (INIS)

    Guzik, J.A.; Cox, A.N.

    1993-01-01

    There is growing evidence from solar oscillation and evolution studies that the Sun's convection zone helium mass fraction has decreased by about 0.03 due to element diffusion. Evolution calculations show that diffusion also produces a steep Y and Z composition gradient below the convection zone. Comparisons between calculated and observed solar p-mode frequencies of angular degrees 5 thru 60 that are sensitive to solar structure near the convection zone bottom support this steep composition gradient, rather than one smoothed significantly by turbulent mixing. Turbulent mixing induced by convective overshoot or rotation has been the favored explanation for much of the solar surface lithium depletion by a factor of 200 from its presumed primordial value. These limits on the extent of turbulent mixing imply that either most of the solar lithium destruction occurred pre-main sequence, which is not supported by observation of young star, or that some other mechanism, for example a small amount of early main-sequence mass loss, is responsible for the low observed lithium abundance. Solar models including such mass loss as well as diffusion have a slightly steeper central density gradient. Comparisons between observed and calculated low-degree p-mode frequencies that are sensitive to the Sun's central structure can be used to probe this density gradient and constrain the possible amount of mass loss

  11. Free diffusion of translation of macromolecules in solution with the rayleigh interferometer; Diffusion libre de translation des macromolecules en solution, par interferometrie de rayleigh

    Energy Technology Data Exchange (ETDEWEB)

    Leger, J J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1969-07-01

    The aim of this study is to develop a rapid and accurate measurement, with the Rayleigh interferometer, of the free diffusion coefficient of translation of macromolecules in solution. After having explained the choice of a diffusion cell with laminar lateral flow, and explained the principle of the Rayleigh interferometer, a semi-automatic technique of free diffusion are then introduced. Solutions are proposed for systems composed of two or three components, such as biopolymers. The paper ends by drafting the possible treatment of recorded experimental data by means of electronic computer. (author) [French] Cette etude a ete entreprise pour mettre au point une methode precise et rapide de mesure, par interferometre de Rayleigh, du coefficient de diffusion libre de translation des macromolecules en solution. Apres avoir justifie le choix d'une cellule de diffusion a ecoulement laminaire lateral et explique le principe de l'interferometre de Rayleigh, l'auteur decrit une technique semi-automatique d'enregistrement des cliches d'interference. Il introduit ensuite les equations differentielles de diffusion libre et propose des solutions pour les systemes a deux et trois composants applicables aux biopolymeres. L'article se termine par une esquisse concernant le traitement des donnees experimentales enregistrees au moyen du calcul electronique. (auteur)

  12. Comparison of nanoparticle diffusion using fluorescence correlation spectroscopy and differential dynamic microscopy within concentrated polymer solutions

    Science.gov (United States)

    Shokeen, Namita; Issa, Christopher; Mukhopadhyay, Ashis

    2017-12-01

    We studied the diffusion of nanoparticles (NPs) within aqueous entangled solutions of polyethylene oxide (PEO) by using two different optical techniques. Fluorescence correlation spectroscopy, a method widely used to investigate nanoparticle dynamics in polymer solution, was used to measure the long-time diffusion coefficient (D) of 25 nm radius particles within high molecular weight, Mw = 600 kg/mol PEO in water solutions. Differential dynamic microscopy (DDM) was used to determine the wave-vector dependent dynamics of NPs within the same polymer solutions. Our results showed good agreement between the two methods, including demonstration of normal diffusion and almost identical diffusion coefficients obtained by both techniques. The research extends the scope of DDM to study the dynamics and rheological properties of soft matter at a nanoscale. The measured diffusion coefficients followed a scaling theory, which can be explained by the coupling between polymer dynamics and NP motion.

  13. A family of analytical solutions of a nonlinear diffusion-convection equation

    Science.gov (United States)

    Hayek, Mohamed

    2018-01-01

    Despite its popularity in many engineering fields, the nonlinear diffusion-convection equation has no general analytical solutions. This work presents a family of closed-form analytical traveling wave solutions for the nonlinear diffusion-convection equation with power law nonlinearities. This kind of equations typically appears in nonlinear problems of flow and transport in porous media. The solutions that are addressed are simple and fully analytical. Three classes of analytical solutions are presented depending on the type of the nonlinear diffusion coefficient (increasing, decreasing or constant). It has shown that the structure of the traveling wave solution is strongly related to the diffusion term. The main advantage of the proposed solutions is that they are presented in a unified form contrary to existing solutions in the literature where the derivation of each solution depends on the specific values of the diffusion and convection parameters. The proposed closed-form solutions are simple to use, do not require any numerical implementation, and may be implemented in a simple spreadsheet. The analytical expressions are also useful to mathematically analyze the structure and properties of the solutions.

  14. Understanding diffusion of intrinsically disordered proteins in polymer solutions: A disorder plus collapse model

    Directory of Open Access Journals (Sweden)

    Juan Wang

    2017-11-01

    Full Text Available Understanding diffusion of intrinsically disordered proteins (IDPs under crowded environments is of ubiquitous importance to modelling related dynamics in biological systems. In the present work, we proposed a theoretical framework to study the diffusion behavior of IDPs in polymer solutions. IDP is modeled as an ensemble of particles with a wide range of gyration radius subject to Flory-Fisk distribution, where the collapse effect which leads to the shrink of IDP due to polymer crowding is included. The diffusion coefficient of IDP is calculated as the average, denoted by 〈D〉, over the values of the particle samples. By properly incorporating the scaling relations for diffusion coefficient of nanoparticle (NP in polymer solutions, we are able to evaluate 〈D〉 straightforwardly and reveal the disorder and collapse effects on IDP’s diffusion in an explicit manner. Particular attentions are paid on comparison between the diffusion coefficient of an IDP and that of a NP. Results demonstrate that both disorder and collapse can enhance IDP diffusion rate. Our analysis shows that the crossover behavior reported by experiments can be actually a general phenomenon, namely, while a NP with smaller size than that of an IDP diffuses faster in simple solutions, the IDP may become the faster one under crowded conditions. We apply our theory to analyze the diffusion of several types of IDP in a few different polymer solutions. Good agreements between the theoretical results and the experimental data are obtained.

  15. Existence of global solutions to reaction-diffusion systems via a Lyapunov functional

    Directory of Open Access Journals (Sweden)

    Said Kouachi

    2001-10-01

    Full Text Available The purpose of this paper is to construct polynomial functionals (according to solutions of the coupled reaction-diffusion equations which give $L^{p}$-bounds for solutions. When the reaction terms are sufficiently regular, using the well known regularizing effect, we deduce the existence of global solutions. These functionals are obtained independently of work done by Malham and Xin [11].

  16. Temperature effects on solute diffusion and adsorption in differently compacted kaolin clay

    DEFF Research Database (Denmark)

    Mon, Ei Ei; Hamamoto, Shoichiro; Kawamoto, Ken

    2016-01-01

    Effects of soil temperature on the solute diffusion process in soils are important since subsurface temperature variation affects solute transport such as a fertilizer movement, leaching of salt, and pollutant movement to groundwater aquifers. However, the temperature dependency on the solute dif...

  17. The effect of probe choice and solution conditions on the apparent photoreactivity of dissolved organic matter.

    Science.gov (United States)

    Maizel, Andrew C; Remucal, Christina K

    2017-08-16

    Excited triplet states of dissolved organic matter ( 3 DOM) are quantified directly with the species-specific probes trans,trans-hexadienoic acid (HDA) and 2,4,6-trimethylphenol (TMP), and indirectly with the singlet oxygen ( 1 O 2 ) probe furfuryl alcohol (FFA). Although previous work suggests that these probe compounds may be sensitive to solution conditions, including dissolved organic carbon concentration ([DOC]) and pH, and may quantify different 3 DOM subpopulations, the probes have not been systematically compared. Therefore, we quantify the apparent photoreactivity of diverse environmental waters using HDA, TMP, and FFA. By conducting experiments under ambient [DOC] and pH, with standardized [DOC] and pH, and with solid phase extraction isolates, we demonstrate that much of the apparent dissimilarity in photochemical measurements is attributable to solution conditions, rather than intrinsic differences in 3 DOM production. In general, apparent quantum yields (Φ 1 O 2 ≥ Φ 3 DOM,TMP ≫ Φ 3 DOM,HDA ) and pseudo-steady state concentrations ([ 1 O 2 ] ss > [ 3 DOM] ss,TMP > [ 3 DOM] ss,HDA ) show consistent relationships in all waters under standardized conditions. However, intrinsic differences in 3 DOM photoreactivity are apparent between DOM from diverse sources, as seen in the higher Φ 1 O 2 and lower Φ 3 DOM,TMP of wastewater effluents compared with oligotrophic lakes. Additionally, while conflicting trends in photoreactivity are observed under ambient conditions, all probes observe quantum yields increasing from surface wetlands to terrestrially influenced waters to oligotrophic lakes under standardized conditions. This work elucidates how probe selection and solution conditions influence the apparent photoreactivity of environmental waters and confirms that 3 DOM or 1 O 2 probes cannot be used interchangeably in waters that vary in [DOC], pH, or DOM source.

  18. Exact solutions of some coupled nonlinear diffusion-reaction ...

    Indian Academy of Sciences (India)

    certain coupled diffusion-reaction (D-R) equations of very general nature. In recent years, various direct methods have been proposed to find the exact solu- tions not only of nonlinear partial differential equations but also of their coupled versions. These methods include unified ansatz approach [3], extended hyperbolic func ...

  19. On Solution of a Fractional Diffusion Equation by Homotopy Transform Method

    International Nuclear Information System (INIS)

    Salah, A.; Hassan, S.S.A.

    2012-01-01

    The homotopy analysis transform method (HATM) is applied in this work in order to find the analytical solution of fractional diffusion equations (FDE). These equations are obtained from standard diffusion equations by replacing a second-order space derivative by a fractional derivative of order α and a first order time derivative by a fractional derivative. Furthermore, some examples are given. Numerical results show that the homotopy analysis transform method is easy to implement and accurate when applied to a fractional diffusion equations.

  20. Solutes and cells - aspects of advection-diffusion-reaction phenomena in biochips

    DEFF Research Database (Denmark)

    Vedel, Søren

    2012-01-01

    the dependencies on density. This shows that the varied single-cell behavior including the overall modulations imposed by density arise as a natural consequence of pseudopod-driven motility in a social context. The final subproject concerns the combined effects of advection, diffusion and reaction of several......Cell’), and the overall title of the project is Solutes and cells — aspects of advection-diffusion-reaction phenomena in biochips. The work has consisted of several projects focusing on theory, and to some extend analysis of experimental data, with advection-diffusion-reaction phenomena of solutes as the recurring theme...... quantitatively interpret the proximal concentration of specific solutes, and integrate this to achieve biological functions. In three specific examples, the author and co-workers have investigated different aspects of the influence of advection, diffusion and reaction on solute distributions, as well...

  1. Bifurcation structure of positive stationary solutions for a Lotka-Volterra competition model with diffusion I

    Science.gov (United States)

    Kan-On, Yukio

    2007-04-01

    This paper is concerned with the bifurcation structure of positive stationary solutions for a generalized Lotka-Volterra competition model with diffusion. To establish the structure, the bifurcation theory and the interval arithmetic are employed.

  2. A statistical method for estimating wood thermal diffusivity and probe geometry using in situ heat response curves from sap flow measurements.

    Science.gov (United States)

    Chen, Xingyuan; Miller, Gretchen R; Rubin, Yoram; Baldocchi, Dennis D

    2012-12-01

    The heat pulse method is widely used to measure water flux through plants; it works by using the speed at which a heat pulse is propagated through the system to infer the velocity of water through a porous medium. No systematic, non-destructive calibration procedure exists to determine the site-specific parameters necessary for calculating sap velocity, e.g., wood thermal diffusivity and probe spacing. Such parameter calibration is crucial to obtain the correct transpiration flux density from the sap flow measurements at the plant scale and subsequently to upscale tree-level water fluxes to canopy and landscape scales. The purpose of this study is to present a statistical framework for sampling and simultaneously estimating the tree's thermal diffusivity and probe spacing from in situ heat response curves collected by the implanted probes of a heat ratio measurement device. Conditioned on the time traces of wood temperature following a heat pulse, the parameters are inferred using a Bayesian inversion technique, based on the Markov chain Monte Carlo sampling method. The primary advantage of the proposed methodology is that it does not require knowledge of probe spacing or any further intrusive sampling of sapwood. The Bayesian framework also enables direct quantification of uncertainty in estimated sap flow velocity. Experiments using synthetic data show that repeated tests using the same apparatus are essential for obtaining reliable and accurate solutions. When applied to field conditions, these tests can be obtained in different seasons and can be automated using the existing data logging system. Empirical factors are introduced to account for the influence of non-ideal probe geometry on the estimation of heat pulse velocity, and are estimated in this study as well. The proposed methodology may be tested for its applicability to realistic field conditions, with an ultimate goal of calibrating heat ratio sap flow systems in practical applications.

  3. Probing region-specific microstructure of human cortical areas using high angular and spatial resolution diffusion MRI.

    Science.gov (United States)

    Aggarwal, Manisha; Nauen, David W; Troncoso, Juan C; Mori, Susumu

    2015-01-15

    Regional heterogeneity in cortical cyto- and myeloarchitecture forms the structural basis of mapping of cortical areas in the human brain. In this study, we investigate the potential of diffusion MRI to probe the microstructure of cortical gray matter and its region-specific heterogeneity across cortical areas in the fixed human brain. High angular resolution diffusion imaging (HARDI) data at an isotropic resolution of 92-μm and 30 diffusion-encoding directions were acquired using a 3D diffusion-weighted gradient-and-spin-echo sequence, from prefrontal (Brodmann area 9), primary motor (area 4), primary somatosensory (area 3b), and primary visual (area 17) cortical specimens (n=3 each) from three human subjects. Further, the diffusion MR findings in these cortical areas were compared with histological silver impregnation of the same specimens, in order to investigate the underlying architectonic features that constitute the microstructural basis of diffusion-driven contrasts in cortical gray matter. Our data reveal distinct and region-specific diffusion MR contrasts across the studied areas, allowing delineation of intracortical bands of tangential fibers in specific layers-layer I, layer VI, and the inner and outer bands of Baillarger. The findings of this work demonstrate unique sensitivity of diffusion MRI to differentiate region-specific cortical microstructure in the human brain, and will be useful for myeloarchitectonic mapping of cortical areas as well as to achieve an understanding of the basis of diffusion NMR contrasts in cortical gray matter. Copyright © 2014 Elsevier Inc. All rights reserved.

  4. Numerical fluid solutions for nonlocal electron transport in hot plasmas: Equivalent diffusion versus nonlocal source

    International Nuclear Information System (INIS)

    Colombant, Denis; Manheimer, Wallace

    2010-01-01

    Flux limitation and preheat are important processes in electron transport occurring in laser produced plasmas. The proper calculation of both of these has been a subject receiving much attention over the entire lifetime of the laser fusion project. Where nonlocal transport (instead of simple single flux limit) has been modeled, it has always been with what we denote the equivalent diffusion solution, namely treating the transport as only a diffusion process. We introduce here a new approach called the nonlocal source solution and show it is numerically viable for laser produced plasmas. It turns out that the equivalent diffusion solution generally underestimates preheat. Furthermore, the advance of the temperature front, and especially the preheat, can be held up by artificial 'thermal barriers'. The nonlocal source method of solution, on the other hand more accurately describes preheat and can stably calculate the solution for the temperature even if the heat flux is up the gradient.

  5. Solution of two energy-group neutron diffusion equation by triangular elements

    International Nuclear Information System (INIS)

    Correia Filho, A.

    1981-01-01

    The application of the triangular finite elements of first order in the solution of two energy-group neutron diffusion equation in steady-state conditions is aimed at. The EFTDN (triangular finite elements in neutrons diffusion) computer code in FORTRAN IV language is developed. The discrete formulation of the diffusion equation is obtained applying the Galerkin method. The power method is used to solve the eigenvalues' problem and the convergence is accelerated through the use of Chebshev polynomials. For the equation systems solution the Gauss method is applied. The results of the analysis of two test-problems are presented. (Author) [pt

  6. Free diffusion of translation of macromolecules in solution with the rayleigh interferometer

    International Nuclear Information System (INIS)

    Leger, J.J.

    1969-01-01

    The aim of this study is to develop a rapid and accurate measurement, with the Rayleigh interferometer, of the free diffusion coefficient of translation of macromolecules in solution. After having explained the choice of a diffusion cell with laminar lateral flow, and explained the principle of the Rayleigh interferometer, a semi-automatic technique of free diffusion are then introduced. Solutions are proposed for systems composed of two or three components, such as biopolymers. The paper ends by drafting the possible treatment of recorded experimental data by means of electronic computer. (author) [fr

  7. The analytical solution to the 1D diffusion equation in heterogeneous media

    International Nuclear Information System (INIS)

    Ganapol, B.D.; Nigg, D.W.

    2011-01-01

    The analytical solution to the time-independent multigroup diffusion equation in heterogeneous plane cylindrical and spherical media is presented. The solution features the simplicity of the one-group formulation while addressing the complication of multigroup diffusion in a fully heterogeneous medium. Beginning with the vector form of the diffusion equation, the approach, based on straightforward mathematics, resolves a set of coupled second order ODEs. The analytical form is facilitated through matrix diagonalization of the neutron interaction matrix rendering the multigroup solution as a series of one-group solutions which, when re-assembled, gives the analytical solution. Customized Eigenmode solutions of the one-group diffusion operator then represent the homogeneous solution in a uniform spatial domain. Once the homogeneous solution is known, the particular solution naturally emerges through variation of parameters. The analytical expression is then numerically implemented through recurrence. Finally, we apply the theory to assess the accuracy of a second order finite difference scheme and to a 1D slab BWR reactor in the four-group approximation. (author)

  8. Interaction between lactose and cadmium chloride in aqueous solutions as seen by diffusion coefficients measurements

    International Nuclear Information System (INIS)

    Verissimo, Luis M.P.; Gomes, Joselaine C.S.; Romero, Carmen; Esteso, Miguel A.; Sobral, Abilio J.F.N.; Ribeiro, Ana C.F.

    2013-01-01

    Highlights: ► Diffusion coefficients of aqueous systems containing lactose and cadmium chloride. ► Influence of the lactose on the diffusion of cadmium chloride. ► Interactions between Cd 2+ and lactose. -- Abstract: Diffusion coefficients of an aqueous system containing cadmium chloride 0.100 mol · dm −3 and lactose at different concentrations at 25 °C have been measured, using a conductimetric cell and an automatic apparatus to follow diffusion. The cell relies on an open-ended capillary method and a conductimetric technique is used to follow the diffusion process by measuring the resistance of a solution inside the capillaries, at recorded times. From these results and by ab initio calculations, it was possible to obtain a better understanding of the effect of lactose on transport of cadmium chloride in aqueous solutions

  9. ANOVA-HDMR structure of the higher order nodal diffusion solution

    International Nuclear Information System (INIS)

    Bokov, P. M.; Prinsloo, R. H.; Tomasevic, D. I.

    2013-01-01

    Nodal diffusion methods still represent a standard in global reactor calculations, but employ some ad-hoc approximations (such as the quadratic leakage approximation) which limit their accuracy in cases where reference quality solutions are sought. In this work we solve the nodal diffusion equations utilizing the so-called higher-order nodal methods to generate reference quality solutions and to decompose the obtained solutions via a technique known as High Dimensional Model Representation (HDMR). This representation and associated decomposition of the solution provides a new formulation of the transverse leakage term. The HDMR structure is investigated via the technique of Analysis of Variance (ANOVA), which indicates why the existing class of transversely-integrated nodal methods prove to be so successful. Furthermore, the analysis leads to a potential solution method for generating reference quality solutions at a much reduced calculational cost, by applying the ANOVA technique to the full higher order solution. (authors)

  10. Nanoparticles in dilute solution : A numerical study of rotational diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Evensen, Tom Richard

    2008-06-15

    This thesis is dedicated to Brownian dynamics simulations of rotational diffusion. A rotation dynamics engine has been implemented and tested. This engine will in the future be integrated as a part of a complete Brownian dynamics simulation tool. The special case, when translational motion can be ignored, has thoroughly been studied. Two choices of generalized coordinates describing angular orientation of the particles are used. The Euler angles, which constitute the classical choice, and the Cartesian components of the rotation vector, which was recently introduced as an alternative, are being compared with regards to computational efficiency. Results from both equilibrium and non-equilibrium simulations are presented. The consistency of two new algorithms is demonstrated on systems of free rigid particles with arbitrary surface topographies. The algorithms make use of only the principal values of the rotational mobility tensor, assuming the corresponding principal axes coincide with the body-fixed coordinate system. These three scalars contain all information about the particle surface topography relevant for rotational diffusion. The calculation of the mobility tensor can be performed in a pre-calculation step, which makes the algorithm itself highly efficient. Both choices of generalized coordinates correctly reproduce theoretical predictions, but we have found that the algorithm using the Cartesian components of the rotation vector as generalized coordinates outperform its counterpart using the Euler angles by up to a factor 1000 in extreme cases. The reason for this improvement is that the algorithm using the Cartesian components of the rotation vector is free of singularities. (Author). refs. figs

  11. PROBING THE LOCAL BUBBLE WITH DIFFUSE INTERSTELLAR BANDS. II. THE DIB PROPERTIES IN THE NORTHERN HEMISPHERE

    Energy Technology Data Exchange (ETDEWEB)

    Farhang, Amin; Khosroshahi, Habib G.; Javadi, Atefeh; Molaeinezhad, Alireza; Tavasoli, Saeed; Habibi, Farhang; Kourkchi, Ehsan; Rezaei, Sara; Saberi, Maryam [School of Astronomy, Institute for Research in Fundamental Sciences (IPM), PO Box 19395-5746 Tehran (Iran, Islamic Republic of); Van Loon, Jacco Th.; Bailey, Mandy [Astrophysics Group, Lennard-Jones Laboratories, Keele University, Staffordshire ST5 5BG (United Kingdom); Hardy, Liam, E-mail: a.farhang@ipm.ir [Isaac Newton Group, Apartado 321, E-38700 Santa Cruz de La Palma (Spain)

    2015-02-10

    We present a new high signal-to-noise ratio spectroscopic survey of the Northern hemisphere to probe the Local Bubble and its surroundings using the λ5780 Å and λ5797 Å diffuse interstellar bands (DIBs). We observed 432 sightlines to a distance of 200 pc over a duration of three years. In this study, we establish the λ5780 and λ5797 correlations with Na I, Ca II and E {sub B-V}, for both inside and outside the Local Bubble. The correlations show that among all neutral and ionized atoms, the correlation between Ca II and λ5780 is stronger than its correlation with λ5797, suggesting that λ5780 is more associated with regions where Ca{sup +} is more abundant. We study the λ5780 correlation with λ5797, which shows a tight correlation within and outside the Local Bubble. In addition, we investigate the DIB properties in UV irradiated and UV shielded regions. We find that, within and beyond the Local Bubble, λ5797 is located in denser parts of clouds, protected from UV irradiation, while λ5780 is located in the low-density regions of clouds.

  12. Exact solution of a model for diffusion particles and longitudinal dispersion in packed beds

    International Nuclear Information System (INIS)

    Rasmuson, A.; Neretnieks, I.

    1979-08-01

    An analytical solution of a model for diffusion in particles and longitudinal despersion in porous media is derived. The solution is obtained by the method of Laplace transform. The result is expressed as an infinite integral of five deminsionless quanitities. The extension for a decaying species is given. (authors)

  13. Solution of the diffusion equation in the GPT theory by the Laplace transform technique

    International Nuclear Information System (INIS)

    Lemos, R.S.M.; Vilhena, M.T.; Segatto, C.F.; Silva, M.T.

    2003-01-01

    In this work we present a analytical solution to the auxiliary and importance functions attained from the solution of a multigroup diffusion problem in a multilayered slab by the Laplace Transform technique. We also obtain the the transcendental equation for the effective multiplication factor, resulting from the application of the boundary and interface conditions. (author)

  14. Painlevé analysis and exact solutions for the Belousov–Zhabotinskii reaction–diffusion system

    International Nuclear Information System (INIS)

    Kudryashov, Nikolay A.; Zakharchenko, Anastasia S.

    2014-01-01

    A system of equations for description of the Belousov–Zhabotinskii chemical reaction is considered. The Painlevé analysis of this reaction–diffusion system is studied. Exact traveling wave solutions of the system for the Belousov–Zhabotinskii reaction are found. Periodic solutions expressed in terms of the Weierstrass elliptic function are also given

  15. Digital simulation of an enrichment process for solutions by means of an advection-diffusion chamber

    International Nuclear Information System (INIS)

    Artucio, G.; Suarez, R.; Uruguay Catholic University)

    1995-01-01

    An ab-initio digital simulation of the space-time dynamics of the concentration field of a solute in an advection-diffusion chamber is done. Some questions related to the digital simulation of the concentration field using the analytical solution obtained in a previous paper are discussed

  16. Nonlinear reaction-diffusion equations with delay: some theorems, test problems, exact and numerical solutions

    Science.gov (United States)

    Polyanin, A. D.; Sorokin, V. G.

    2017-12-01

    The paper deals with nonlinear reaction-diffusion equations with one or several delays. We formulate theorems that allow constructing exact solutions for some classes of these equations, which depend on several arbitrary functions. Examples of application of these theorems for obtaining new exact solutions in elementary functions are provided. We state basic principles of construction, selection, and use of test problems for nonlinear partial differential equations with delay. Some test problems which can be suitable for estimating accuracy of approximate analytical and numerical methods of solving reaction-diffusion equations with delay are presented. Some examples of numerical solutions of nonlinear test problems with delay are considered.

  17. Diffusion studies on permeable nitroxyl spin probe through lipid bilayer membrane

    International Nuclear Information System (INIS)

    Benial, A. Milton Franklin; Meenakumari, V.; Ichikawa, Kazuhiro; Yamada, Ken-ichi; Utsumi, Hideo; Hyodo, Fuminori; Jawahar, A.

    2014-01-01

    Electron spin resonance (ESR) studies were carried out for 2mM 14 N labeled deutrated permeable 3- methoxycarbonyl-2,2,5,5-tetramethyl-pyrrolidine-1-oxyl (MC-PROXYL) in pure water, 1 mM, 2 mM, 3 mM and 4 mM concentration of MC-PROXYL in 300 mM concentration of liposomal solution by using a L-band ESR spectrometer. The ESR parameters such as linewidth, hyperfine coupling constant, g-factor, partition parameter and permeability were reported. The partition parameter and permeability values indicate the maximum spin distribution in the lipid phase at 2 mM concentration. This study illustrates that ESR can be used to differentiate between the intra and extra-membrane water by loading the liposome vesicles with a lipid-permeable nitroxyl spin probe. From the ESR results, the radical concentration was optimized as 2 mM in liposomal solution for ESR phantom studies and experiments

  18. Oligonucleotides as probes for studying polymerization reactions in dilute aqueous solution

    Science.gov (United States)

    Kolb, V.; Orgel, L. E.; Miller, S. L. (Principal Investigator)

    1994-01-01

    We have prepared a [32P]-labled oligonucleotide probe carrying a free primary amine at its 3'-terminus. This probe is used to initiate polymerization of aziridine (ethyleneimine) in aqueous solution. The nature of the oligomeric products and the kinetics of their formation are then monitored by gel electrophoresis. Our results are generally consistent with those obtained using conventional techniques. We have also investigated the effect of polyanionic templates on the rate of oligomerization of aziridine. We find that water-soluble polyanions generally accelerate the polymerization. The sodium salt of polymethacrylic acid is the most effective of the templates that we studied. The methods introduced in this paper should be applicable to a variety of polymerization reactions in aqueous solution. They should greatly simplify the screening of potentially prebiotic polymerization reactions.

  19. Ground state solutions for diffusion system with superlinear nonlinearity

    Directory of Open Access Journals (Sweden)

    Zhiming Luo

    2015-03-01

    where $z=(u,v\\colon\\mathbb{R}\\times\\mathbb{R}^{N}\\rightarrow\\mathbb{R}^{2}$, $b\\in C^{1}(\\mathbb{R}\\times\\mathbb{R}^{N}, \\mathbb{R}^{N}$ and $V(x\\in C(\\mathbb{R}^{N},\\mathbb{R}$. Under suitable assumptions on the nonlinearity, we establish the existence of ground state solutions by the generalized Nehari manifold method developed recently by Szulkin and Weth.

  20. New diffusion-like solutions of one-speed transport equations in spherical geometry

    International Nuclear Information System (INIS)

    Sahni, D.C.

    1988-01-01

    Stationary, one-speed, spherically symmetric transport equations are considered in a conservative medium. Closed-form expressions are obtained for the angular flux ψ(r, μ) that yield a total flux varying as 1/r by using Sonine transforms. Properties of this solution are studied and it is shown that the solution can not be identified as a diffusion mode solution of the transport equation. Limitations of the Sonine transform technique are noted. (author)

  1. Entire solutions of a diffusive and competitive Lotka–Volterra type system with nonlocal delays

    International Nuclear Information System (INIS)

    Wang, Mingxin; Lv, Guangying

    2010-01-01

    This paper is concerned with the entire solution of a diffusive and competitive Lotka–Volterra type system with nonlocal delays. The existence of the entire solution is proved by transforming the system with nonlocal delays to a four-dimensional system without delay and using the comparing argument and the sub-super-solution method. Here an entire solution means a classical solution defined for all space and time variables, which behaves as two wave fronts coming from both sides of the x-axis

  2. Numerical Solutions for Convection-Diffusion Equation through Non-Polynomial Spline

    Directory of Open Access Journals (Sweden)

    Ravi Kanth A.S.V.

    2016-01-01

    Full Text Available In this paper, numerical solutions for convection-diffusion equation via non-polynomial splines are studied. We purpose an implicit method based on non-polynomial spline functions for solving the convection-diffusion equation. The method is proven to be unconditionally stable by using Von Neumann technique. Numerical results are illustrated to demonstrate the efficiency and stability of the purposed method.

  3. Transport of neutral solute across articular cartilage: the role of zonal diffusivities.

    Science.gov (United States)

    Arbabi, V; Pouran, B; Weinans, H; Zadpoor, A A

    2015-07-01

    Transport of solutes through diffusion is an important metabolic mechanism for the avascular cartilage tissue. Three types of interconnected physical phenomena, namely mechanical, electrical, and chemical, are all involved in the physics of transport in cartilage. In this study, we use a carefully designed experimental-computational setup to separate the effects of mechanical and chemical factors from those of electrical charges. Axial diffusion of a neutral solute Iodixanol into cartilage was monitored using calibrated microcomputed tomography micro-CT images for up to 48 hr. A biphasic-solute computational model was fitted to the experimental data to determine the diffusion coefficients of cartilage. Cartilage was modeled either using one single diffusion coefficient (single-zone model) or using three diffusion coefficients corresponding to superficial, middle, and deep cartilage zones (multizone model). It was observed that the single-zone model cannot capture the entire concentration-time curve and under-predicts the near-equilibrium concentration values, whereas the multizone model could very well match the experimental data. The diffusion coefficient of the superficial zone was found to be at least one order of magnitude larger than that of the middle zone. Since neutral solutes were used, glycosaminoglycan (GAG) content cannot be the primary reason behind such large differences between the diffusion coefficients of the different cartilage zones. It is therefore concluded that other features of the different cartilage zones such as water content and the organization (orientation) of collagen fibers may be enough to cause large differences in diffusion coefficients through the cartilage thickness.

  4. Shape functions for separable solutions to cross-field diffusion problems

    International Nuclear Information System (INIS)

    Luning, C.D.; Perry, W.L.

    1984-01-01

    The shape function S(x), which arises in the study of nonlinear diffusion for cross-field diffusion in plasmas, satisfies the equation S''(x)+lambdaa(x)S/sup α/(x) = 0, 0 0. In the cases of physical interest a(x) possesses an integrable singularity at some point in (0,1) but is otherwise continuous. Existence of a positive solution to this problem is established

  5. The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Ran; Du, Jiulin, E-mail: jiulindu@aliyun.com

    2015-08-15

    We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution.

  6. The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion

    International Nuclear Information System (INIS)

    Guo, Ran; Du, Jiulin

    2015-01-01

    We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution

  7. Singular solution of the Feller diffusion equation via a spectral decomposition

    Science.gov (United States)

    Gan, Xinjun; Waxman, David

    2015-01-01

    Feller studied a branching process and found that the distribution for this process approximately obeys a diffusion equation [W. Feller, in Proceedings of the Second Berkeley Symposium on Mathematical Statistics and Probability (University of California Press, Berkeley and Los Angeles, 1951), pp. 227-246]. This diffusion equation and its generalizations play an important role in many scientific problems, including, physics, biology, finance, and probability theory. We work under the assumption that the fundamental solution represents a probability density and should account for all of the probability in the problem. Thus, under the circumstances where the random process can be irreversibly absorbed at the boundary, this should lead to the presence of a Dirac delta function in the fundamental solution at the boundary. However, such a feature is not present in the standard approach (Laplace transformation). Here we require that the total integrated probability is conserved. This yields a fundamental solution which, when appropriate, contains a term proportional to a Dirac delta function at the boundary. We determine the fundamental solution directly from the diffusion equation via spectral decomposition. We obtain exact expressions for the eigenfunctions, and when the fundamental solution contains a Dirac delta function at the boundary, every eigenfunction of the forward diffusion operator contains a delta function. We show how these combine to produce a weight of the delta function at the boundary which ensures the total integrated probability is conserved. The solution we present covers cases where parameters are time dependent, thereby greatly extending its applicability.

  8. On the solution of reaction-diffusion equations with double diffusivity

    Directory of Open Access Journals (Sweden)

    B. D. Aggarwala

    1987-01-01

    Full Text Available In this paper, solution of a pair of Coupled Partial Differential equations is derived. These equations arise in the solution of problems of flow of homogeneous liquids in fissured rocks and heat conduction involving two temperatures. These equations have been considered by Hill and Aifantis, but the technique we use appears to be simpler and more direct, and some new results are derived. Also, discussion about the propagation of initial discontinuities is given and illustrated with graphs of some special cases.

  9. Bulk Heterojunction versus Diffused Bilayer: The Role of Device Geometry in Solution p-Doped Polymer-Based Solar Cells.

    Science.gov (United States)

    Loiudice, Anna; Rizzo, Aurora; Biasiucci, Mariano; Gigli, Giuseppe

    2012-07-19

    We exploit the effect of molecular p-type doping of P3HT in diffused bilayer (DB) polymer solar cells. In this alternative device geometry, the p-doping is accomplished in solution by blending the F4-TCNQ with P3HT. The p-doping both increases the film conductivity and reduces the potential barrier at the interface with the electrode. This results in an excellent power conversion efficiency of 4.02%, which is an improvement of ∼48% over the p-doped standard bulk heterojunction (BHJ) device. Combined VOC-light intensity dependence measurements and Kelvin probe force microscopy reveal that the DB device configuration is particularly advantageous, if compared to the conventional BHJ, because it enables optimization of the donor and acceptor layers independently to minimize the effect of trapping and to fully exploit the improved transport properties.

  10. Sugar-influenced water diffusion, interaction, and retention in clay interlayer nanopores probed by theoretical simulations and experimental spectroscopies

    Science.gov (United States)

    Aristilde, Ludmilla; Galdi, Stephen M.; Kelch, Sabrina E.; Aoki, Thalia G.

    2017-08-01

    Understanding the hydrodynamics in clay nanopores is important for gaining insights into the trapping of water, nutrients, and contaminants in natural and engineered soils. Previous investigations have focused on the interlayer organization and molecular diffusion coefficients (D) of cations and water molecules in cation-saturated interlayer nanopores of smectite clays. Little is known, however, about how these interlayer dynamic properties are influenced by the ubiquitous presence of small organic compounds such as sugars in the soil environment. Here we probed the effects of glucose molecules on montmorillonite interlayer properties. Molecular dynamics simulations revealed re-structuring of the interlayer organization of the adsorptive species. Water-water interactions were disrupted by glucose-water H-bonding interactions. ;Dehydration; of the glucose-populated nanopore led to depletion in the Na solvation shell, which resulted in the accumulation of both Na ions (as inner-sphere complexes) and remaining hydrated water molecules at the mineral surface. This accumulation led to a decrease in both DNa and Dwater. In addition, the reduction in Dglucose as a function of increasing glucose content can be explained by the aggregation of glucose molecules into organic clusters H-bonded to the mineral surface on both walls of the nanopore. Experimental nuclear magnetic resonance and X-ray diffraction data were consistent with the theoretical predictions. Compared to clay interlayers devoid of glucose, increased intensities and new peaks in the 23Na nuclear magnetic resonance spectra confirmed increasing immobilization of Na as a function of increasing glucose content. And, the X-ray diffraction data indicated a reduced collapse of glucose-populated interlayers exposed to decreasing moisture conditions, which led to the maintenance of hydrated clay nanopores. The coupling of theoretical and experimental findings sheds light on the molecular to nanoscale mechanisms that

  11. Communication: Modeling of concentration dependent water diffusivity in ionic solutions: Role of intermolecular charge transfer

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Yi; Berkowitz, Max L., E-mail: maxb@unc.edu, E-mail: ykanai@unc.edu; Kanai, Yosuke, E-mail: maxb@unc.edu, E-mail: ykanai@unc.edu [Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599 (United States)

    2015-12-28

    The translational diffusivity of water in solutions of alkali halide salts depends on the identity of ions, exhibiting dramatically different behavior even in solutions of similar salts of NaCl and KCl. The water diffusion coefficient decreases as the salt concentration increases in NaCl. Yet, in KCl solution, it slightly increases and remains above bulk value as salt concentration increases. Previous classical molecular dynamics simulations have failed to describe this important behavior even when polarizable models were used. Here, we show that inclusion of dynamical charge transfer among water molecules produces results in a quantitative agreement with experiments. Our results indicate that the concentration-dependent diffusivity reflects the importance of many-body effects among the water molecules in aqueous ionic solutions. Comparison with quantum mechanical calculations shows that a heterogeneous and extended distribution of charges on water molecules around the ions due to ion-water and also water-water charge transfer plays a very important role in controlling water diffusivity. Explicit inclusion of the charge transfer allows us to model accurately the difference in the concentration-dependent water diffusivity between Na{sup +} and K{sup +} ions in simulations, and it is likely to impact modeling of a wide range of systems for medical and technological applications.

  12. Solution of two-dimensional neutron diffusion equation for triangular region by finite Fourier transformation

    International Nuclear Information System (INIS)

    Kobayashi, Keisuke; Ishibashi, Hideo

    1978-01-01

    A two-dimensional neutron diffusion equation for a triangular region is shown to be solved by the finite Fourier transformation. An application of the Fourier transformation to the diffusion equation for triangular region yields equations whose unknowns are the expansion coefficients of the neutron flux and current in Fourier series or Legendre polynomials expansions only at the region boundary. Some numerical calculations have revealed that the present technique gives accurate results. It is shown also that the solution using the expansion in Legendre polynomials converges with relatively few terms even if the solution in Fourier series exhibits the Gibbs' phenomenon. (auth.)

  13. Self-diffusion in electrolyte solutions a critical examination of data compiled from the literature

    CERN Document Server

    Mills, R

    1989-01-01

    This compilation - the first of its kind - fills a real gap in the field of electrolyte data. Virtually all self-diffusion data in electrolyte solutions as reported in the literature have been examined and the book contains over 400 tables covering diffusion in binary and ternary aqueous solutions, in mixed solvents, and of non-electrolytes in various solvents.An important feature of the compilation is that all data have been critically examined and their accuracy assessed. Other features are an introductory chapter in which the methods of measurement are reviewed; appendices containing tables

  14. Modified micro-diffusion method for 15N-enriched soil solutions

    International Nuclear Information System (INIS)

    Aigner, M.

    2000-01-01

    The preparation of solutions for determination of 15 N/ 14 N isotope ratios is described, with special reference to dilute samples. A micro-diffusion method has been simplified to be more suitable for rapid isotope-ratio determination in soil solutions collected in tensionics. Ammonia expelled during micro-diffusion is captured on acidified filter discs fixed to the caps of gas-tight vials. The discs are transferred to tin capsules for shipment to the Soil Science Unit for 15 N-enrichment determination. (author)

  15. An analytical solution for the two-group kinetic neutron diffusion equation in cylindrical geometry

    International Nuclear Information System (INIS)

    Fernandes, Julio Cesar L.; Vilhena, Marco Tullio; Bodmann, Bardo Ernst

    2011-01-01

    Recently the two-group Kinetic Neutron Diffusion Equation with six groups of delay neutron precursor in a rectangle was solved by the Laplace Transform Technique. In this work, we report on an analytical solution for this sort of problem but in cylindrical geometry, assuming a homogeneous and infinite height cylinder. The solution is obtained applying the Hankel Transform to the Kinetic Diffusion equation and solving the transformed problem by the same procedure used in the rectangle. We also present numerical simulations and comparisons against results available in literature. (author)

  16. Charge effects on hindrance factors for diffusion and convection of solute in pores I

    Energy Technology Data Exchange (ETDEWEB)

    O-tani, Hideyuki [Graduate School of Science and Engineering, Kansai University, Yamate-cho, Suita, Osaka 564-8680 (Japan); Akinaga, Takeshi; Sugihara-Seki, Masako, E-mail: ga8d002@kansai-u.ac.jp [Department of Pure and Applied Physics, Kansai University, Yamate-cho, Suita, Osaka 564-8680 (Japan)

    2011-12-01

    The transport of a spherical solute through a long circular cylindrical pore filled with an electrolyte solution is studied numerically, in the presence of constant surface charge on the solute and the pore wall. Fluid dynamic analyses were carried out to calculate the flow field around the solute in the pore to evaluate the drag coefficients exerted on the solute. Electrical potentials around the solute in the electrolyte solution were computed based on a mean-field theory to provide the interaction energy between the charged solute and the pore wall. Combining the results of the fluid dynamic and electrostatic analyses, we estimated the rate of the diffusive and convective transport of the solute across the pore. Although the present estimates of the drag coefficients on the solute suggest more than 10% difference from existing studies, depending on the radius ratio of the solute relative to the pore and the radial position of the solute center in the pore, this difference leads to a minor effect on the hindrance factors. It was found that even at rather large ion concentrations, the repulsive electrostatic interaction between the charged solute and the pore wall of like charge could significantly reduce the transport rate of the solute.

  17. Solution of the multilayer multigroup neutron diffusion equation in cartesian geometry by fictitious borders power method

    Energy Technology Data Exchange (ETDEWEB)

    Zanette, Rodrigo; Petersen, Caudio Zen [Univ. Federal de Pelotas, Capao do Leao (Brazil). Programa de Pos Graduacao em Modelagem Matematica; Schramm, Marcello [Univ. Federal de Pelotas (Brazil). Centro de Engenharias; Zabadal, Jorge Rodolfo [Univ. Federal do Rio Grande do Sul, Tramandai (Brazil)

    2017-05-15

    In this paper a solution for the one-dimensional steady state Multilayer Multigroup Neutron Diffusion Equation in cartesian geometry by Fictitious Borders Power Method and a perturbative analysis of this solution is presented. For each new iteration of the power method, the neutron flux is reconstructed by polynomial interpolation, so that it always remains in a standard form. However when the domain is long, an almost singular matrix arises in the interpolation process. To eliminate this singularity the domain segmented in R regions, called fictitious regions. The last step is to solve the neutron diffusion equation for each fictitious region in analytical form locally. The results are compared with results present in the literature. In order to analyze the sensitivity of the solution, a perturbation in the nuclear parameters is inserted to determine how a perturbation interferes in numerical results of the solution.

  18. assessment of concentration of air pollutants using analytical and numerical solution of the atmospheric diffusion equation

    International Nuclear Information System (INIS)

    Esmail, S.F.H.

    2011-01-01

    The mathematical formulation of numerous physical problems a results in differential equations actually partial or ordinary differential equations.In our study we are interested in solutions of partial differential equations.The aim of this work is to calculate the concentrations of the pollution, by solving the atmospheric diffusion equation(ADE) using different mathematical methods of solution. It is difficult to solve the general form of ADE analytically, so we use some assumptions to get its solution.The solutions of it depend on the eddy diffusivity profiles(k) and the wind speed u. We use some physical assumptions to simplify its formula and solve it. In the present work, we solve the ADE analytically in three dimensions using Green's function method, Laplace transform method, normal mode method and these separation of variables method. Also, we use ADM as a numerical method. Finally, comparisons are made with the results predicted by the previous methods and the observed data.

  19. Solutions to Time-Fractional Diffusion-Wave Equation in Cylindrical Coordinates

    Directory of Open Access Journals (Sweden)

    Povstenko YZ

    2011-01-01

    Full Text Available Nonaxisymmetric solutions to time-fractional diffusion-wave equation with a source term in cylindrical coordinates are obtained for an infinite medium. The solutions are found using the Laplace transform with respect to time , the Hankel transform with respect to the radial coordinate , the finite Fourier transform with respect to the angular coordinate , and the exponential Fourier transform with respect to the spatial coordinate . Numerical results are illustrated graphically.

  20. Formation of solid solution during mutual diffusion of tungsten and molybdenum in the process of sintering

    International Nuclear Information System (INIS)

    Timofeeva, A.A.; Bulat, I.B.; Voronin, Yu.V.; Fedoseev, G.K.; Karasev, V.M.

    1984-01-01

    A process of a solid solution homogenization during sintering of W-15Mo and W-5Mo alloys is studied by the methods of density measurements, analysis of the X-ray lines physical broadening and determination of crystalline lattice constant. Study of the process of solid solution formation under conditions of powder composite sintering is shown to be conducted with account of peculiarities of tungsten and molybdenum mutual diffusion in the investigated temperature range of concentrations

  1. Bifurcation of positive solutions to scalar reaction-diffusion equations with nonlinear boundary condition

    Science.gov (United States)

    Liu, Ping; Shi, Junping

    2018-01-01

    The bifurcation of non-trivial steady state solutions of a scalar reaction-diffusion equation with nonlinear boundary conditions is considered using several new abstract bifurcation theorems. The existence and stability of positive steady state solutions are proved using a unified approach. The general results are applied to a Laplace equation with nonlinear boundary condition and bistable nonlinearity, and an elliptic equation with superlinear nonlinearity and sublinear boundary conditions.

  2. Exact Markov chain and approximate diffusion solution for haploid genetic drift with one-way mutation.

    Science.gov (United States)

    Hössjer, Ola; Tyvand, Peder A; Miloh, Touvia

    2016-02-01

    The classical Kimura solution of the diffusion equation is investigated for a haploid random mating (Wright-Fisher) model, with one-way mutations and initial-value specified by the founder population. The validity of the transient diffusion solution is checked by exact Markov chain computations, using a Jordan decomposition of the transition matrix. The conclusion is that the one-way diffusion model mostly works well, although the rate of convergence depends on the initial allele frequency and the mutation rate. The diffusion approximation is poor for mutation rates so low that the non-fixation boundary is regular. When this happens we perturb the diffusion solution around the non-fixation boundary and obtain a more accurate approximation that takes quasi-fixation of the mutant allele into account. The main application is to quantify how fast a specific genetic variant of the infinite alleles model is lost. We also discuss extensions of the quasi-fixation approach to other models with small mutation rates. Copyright © 2015 Elsevier Inc. All rights reserved.

  3. A general solution in the cylindrical coordinates system for the diffusion of a radionuclide in homogeneous and isotropic solids

    CERN Document Server

    Ribeiro, F B

    1999-01-01

    Solutions of the diffusion equation in cylindrical coordinates are presented for a radionuclide produced by the decay of a not diffusing parent isotope with arbitrary activity distribution. General initial and Dirichlet boundary conditions are considered and the diffusion equation is solved for a finite cylinder. Solutions corresponding to two particular boundary conditions that can be imposed in laboratory diffusion coefficient measurements are presented. An analysis of the speed of convergence and of the series truncation error is done for these particular solutions. An example of the escape to production ratio derived from one of the solutions is also presented.

  4. A general solution in the cylindrical coordinates system for the diffusion of a radionuclide in homogeneous and isotropic solids

    International Nuclear Information System (INIS)

    Ribeiro, Fernando Brenha

    1999-01-01

    Solutions of the diffusion equation in cylindrical coordinates are presented for a radionuclide produced by the decay of a not diffusing parent isotope with arbitrary activity distribution. General initial and Dirichlet boundary conditions are considered and the diffusion equation is solved for a finite cylinder. Solutions corresponding to two particular boundary conditions that can be imposed in laboratory diffusion coefficient measurements are presented. An analysis of the speed of convergence and of the series truncation error is done for these particular solutions. An example of the escape to production ratio derived from one of the solutions is also presented

  5. Probing ion-specific effects on aqueous acetate solutions: Ion pairing versus water structure modifications.

    Science.gov (United States)

    Petit, Tristan; Lange, Kathrin M; Conrad, Gerrit; Yamamoto, Kenji; Schwanke, Christoph; Hodeck, Kai F; Dantz, Marcus; Brandenburg, Tim; Suljoti, Edlira; Aziz, Emad F

    2014-05-01

    The effect of monovalent cations (Li(+), K(+), NH4 (+), Na(+)) on the water structure in aqueous chloride and acetate solutions was characterized by oxygen K-edge X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy, and resonant inelastic X-ray scattering (RIXS) of a liquid microjet. We show ion- and counterion dependent effects on the emission spectra of the oxygen K-edge, which we attribute to modifications of the hydrogen bond network of water. For acetates, ion pairing with carboxylates was also probed selectively by XAS and RIXS. We correlate our experimental results to speciation data and to the salting-out properties of the cations.

  6. Electrochemical preparation of uranium and plutonium measuring probes for alpha spectroscopy from organic solutions

    International Nuclear Information System (INIS)

    Gruner, W.; Beutmann, A.

    1980-01-01

    A method for preparation of uranium and plutonium measuring probes for α-spectrometry is described. The method is based on electrodeposition from isopropanol and especially from ethanol and methanol solution. It was shown that a definite additions of a little amount of water lead to an increase of the deposition rate. It is possible to reach a 100% deposition in ethanol after an electrolysis time of 3 minutes for uranium and 30 minutes for plutonium with voltages of 150-200 V. (author)

  7. Analytical approximate solutions of the time-domain diffusion equation in layered slabs.

    Science.gov (United States)

    Martelli, Fabrizio; Sassaroli, Angelo; Yamada, Yukio; Zaccanti, Giovanni

    2002-01-01

    Time-domain analytical solutions of the diffusion equation for photon migration through highly scattering two- and three-layered slabs have been obtained. The effect of the refractive-index mismatch with the external medium is taken into account, and approximate boundary conditions at the interface between the diffusive layers have been considered. A Monte Carlo code for photon migration through a layered slab has also been developed. Comparisons with the results of Monte Carlo simulations showed that the analytical solutions correctly describe the mean path length followed by photons inside each diffusive layer and the shape of the temporal profile of received photons, while discrepancies are observed for the continuous-wave reflectance or transmittance.

  8. An analytical solution of the one-dimensional neutron diffusion kinetic equation in cartesian geometry

    International Nuclear Information System (INIS)

    Ceolin, Celina; Vilhena, Marco T.; Petersen, Claudio Z.

    2009-01-01

    In this work we report an analytical solution for the monoenergetic neutron diffusion kinetic equation in cartesian geometry. Bearing in mind that the equation for the delayed neutron precursor concentration is a first order linear differential equation in the time variable, to make possible the application of the GITT approach to the kinetic equation, we introduce a fictitious diffusion term multiplied by a positive small value ε. By this procedure, we are able to solve this set of equations. Indeed, applying the GITT technique to the modified diffusion kinetic equation, we come out with a matrix differential equation which has a well known analytical solution when ε goes to zero. We report numerical simulations as well study of numerical convergence of the results attained. (author)

  9. Application of finite Fourier transformation for the solution of the diffusion equation

    International Nuclear Information System (INIS)

    Kobayashi, Keisuke

    1991-01-01

    The application of the finite Fourier transformation to the solution of the neutron diffusion equation in one dimension, two dimensional x-y and triangular geometries is discussed. It can be shown that the equation obtained by the Nodal Green's function method in Cartesian coordinates can be derived as a special case of the finite Fourier transformation method. (author)

  10. The KASY synthesis programme for the approximative solution of the 3-dimensional neutron diffusion equation

    International Nuclear Information System (INIS)

    Buckel, G.; Wouters, R. de; Pilate, S.

    1977-01-01

    The synthesis code KASY for an approximate solution of the three-dimensional neutron diffusion equation is described; the state of the art as well as envisaged program extensions and the application to tasks from the field of reactor designing are dealt with. (RW) [de

  11. On positive periodic solution of periodic competition Lotka-Volterra system with time delay and diffusion

    International Nuclear Information System (INIS)

    Sun Wen; Chen Shihua; Hong Zhiming; Wang Changping

    2007-01-01

    A two-species periodic competition Lotka-Volterra system with time delay and diffusion is investigated. Some sufficient conditions of the existence of positive periodic solution are established for the system by using the continuation theorem of coincidence degree theory

  12. Solution of multigroup diffusion equations in cylindrical configuration by local polynomial approximation

    International Nuclear Information System (INIS)

    Jakab, J.

    1979-05-01

    Local approximations of neutron flux density by 2nd degree polynomials are used in calculating light water reactors. The calculations include spatial kinetics tasks for the models of two- and three-dimensional reactors in the Cartesian geometry. The resulting linear algebraic equations are considered to be formally identical to the results of the differential method of diffusion equation solution. (H.S.)

  13. Multigrid solution of the convection-diffusion equation with high-Reynolds number

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jun [George Washington Univ., Washington, DC (United States)

    1996-12-31

    A fourth-order compact finite difference scheme is employed with the multigrid technique to solve the variable coefficient convection-diffusion equation with high-Reynolds number. Scaled inter-grid transfer operators and potential on vectorization and parallelization are discussed. The high-order multigrid method is unconditionally stable and produces solution of 4th-order accuracy. Numerical experiments are included.

  14. Systematic spatial bias in DNA microarray hybridization is caused by probe spot position-dependent variability in lateral diffusion.

    Science.gov (United States)

    Steger, Doris; Berry, David; Haider, Susanne; Horn, Matthias; Wagner, Michael; Stocker, Roman; Loy, Alexander

    2011-01-01

    The hybridization of nucleic acid targets with surface-immobilized probes is a widely used assay for the parallel detection of multiple targets in medical and biological research. Despite its widespread application, DNA microarray technology still suffers from several biases and lack of reproducibility, stemming in part from an incomplete understanding of the processes governing surface hybridization. In particular, non-random spatial variations within individual microarray hybridizations are often observed, but the mechanisms underpinning this positional bias remain incompletely explained. This study identifies and rationalizes a systematic spatial bias in the intensity of surface hybridization, characterized by markedly increased signal intensity of spots located at the boundaries of the spotted areas of the microarray slide. Combining observations from a simplified single-probe block array format with predictions from a mathematical model, the mechanism responsible for this bias is found to be a position-dependent variation in lateral diffusion of target molecules. Numerical simulations reveal a strong influence of microarray well geometry on the spatial bias. Reciprocal adjustment of the size of the microarray hybridization chamber to the area of surface-bound probes is a simple and effective measure to minimize or eliminate the diffusion-based bias, resulting in increased uniformity and accuracy of quantitative DNA microarray hybridization.

  15. Assorted interactions of amino acids prevailing in aqueous vitamin C solutions probed by physicochemical and ab-initio contrivances

    Science.gov (United States)

    Das, Koyeli; Roy, Milan Chandra; Rajbanshi, Biplab; Roy, Mahendra Nath

    2017-11-01

    Qualitative and quantitative analysis of molecular interaction prevailing in tyrosine and tryptophan in aqueous solution of vitamin C have been probed by thermophysical properties. The apparent molar volume (ϕV), viscosity B-coefficient, molal refraction (RM) of tyrosine and tryptophan have been studied in aqueous vitamin C solutions at diverse temperatures via Masson equation which deduced solute-solvent and solute-solute interactions, respectively. Spectroscopic study along with physicochemical and computational techniques provides lots of interesting and highly significant insights of the model biological systems. The overall results established strong solute-solvent interactions between studied amino acids and vitamin C mixture in the ternary solutions.

  16. Kinetics of intercalation of fluorescent probes in magnesium–aluminium layered double hydroxide within a multiscale reaction–diffusion framework

    Science.gov (United States)

    Saliba, Daniel

    2016-01-01

    We report the synthesis of magnesium–aluminium layered double hydroxide (LDH) using a reaction–diffusion framework (RDF) that exploits the multiscale coupling of molecular diffusion with chemical reactions, nucleation and growth of crystals. In an RDF, the hydroxide anions are allowed to diffuse into an organic gel matrix containing the salt mixture needed for the precipitation of the LDH. The chemical structure and composition of the synthesized magnesium–aluminium LDHs are determined using powder X-ray diffraction (PXRD), thermo-gravimetric analysis, differential scanning calorimetry, solid-state nuclear magnetic resonance (SSNMR), Fourier transform infrared and energy dispersive X-ray spectroscopy. This novel technique also allows the investigation of the mechanism of intercalation of some fluorescent probes, such as the neutral three-dimensional rhodamine B (RhB) and the negatively charged two-dimensional 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS), using in situ steady-state fluorescence spectroscopy. The incorporation of these organic dyes inside the interlayer region of the LDH is confirmed via fluorescence microscopy, solid-state lifetime, SSNMR and PXRD. The activation energies of intercalation of the corresponding molecules (RhB and HPTS) are computed and exhibit dependence on the geometry of the involved probe (two or three dimensions), the charge of the fluorescent molecule (anionic, cationic or neutral) and the cationic ratio of the corresponding LDH. This article is part of the themed issue ‘Multiscale modelling at the physics–chemistry–biology interface’. PMID:27698034

  17. Kinetics of intercalation of fluorescent probes in magnesium-aluminium layered double hydroxide within a multiscale reaction-diffusion framework

    Science.gov (United States)

    Saliba, Daniel; Al-Ghoul, Mazen

    2016-11-01

    We report the synthesis of magnesium-aluminium layered double hydroxide (LDH) using a reaction-diffusion framework (RDF) that exploits the multiscale coupling of molecular diffusion with chemical reactions, nucleation and growth of crystals. In an RDF, the hydroxide anions are allowed to diffuse into an organic gel matrix containing the salt mixture needed for the precipitation of the LDH. The chemical structure and composition of the synthesized magnesium-aluminium LDHs are determined using powder X-ray diffraction (PXRD), thermo-gravimetric analysis, differential scanning calorimetry, solid-state nuclear magnetic resonance (SSNMR), Fourier transform infrared and energy dispersive X-ray spectroscopy. This novel technique also allows the investigation of the mechanism of intercalation of some fluorescent probes, such as the neutral three-dimensional rhodamine B (RhB) and the negatively charged two-dimensional 8-hydroxypyrene-1,3,6-trisulfonic acid (HPTS), using in situ steady-state fluorescence spectroscopy. The incorporation of these organic dyes inside the interlayer region of the LDH is confirmed via fluorescence microscopy, solid-state lifetime, SSNMR and PXRD. The activation energies of intercalation of the corresponding molecules (RhB and HPTS) are computed and exhibit dependence on the geometry of the involved probe (two or three dimensions), the charge of the fluorescent molecule (anionic, cationic or neutral) and the cationic ratio of the corresponding LDH. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.

  18. Diffusion

    International Nuclear Information System (INIS)

    Kubaschewski, O.

    1983-01-01

    The diffusion rate values of titanium, its compounds and alloys are summarized and tabulated. The individual chemical diffusion coefficients and self-diffusion coefficients of certain isotopes are given. Experimental methods are listed which were used for the determination of diffusion coefficients. Some values have been taken over from other studies. Also given are graphs showing the temperature dependences of diffusion and changes in the diffusion coefficient with concentration changes

  19. Approximate analytical solution of diffusion equation with fractional time derivative using optimal homotopy analysis method

    Directory of Open Access Journals (Sweden)

    S. Das

    2013-12-01

    Full Text Available In this article, optimal homotopy-analysis method is used to obtain approximate analytic solution of the time-fractional diffusion equation with a given initial condition. The fractional derivatives are considered in the Caputo sense. Unlike usual Homotopy analysis method, this method contains at the most three convergence control parameters which describe the faster convergence of the solution. Effects of parameters on the convergence of the approximate series solution by minimizing the averaged residual error with the proper choices of parameters are calculated numerically and presented through graphs and tables for different particular cases.

  20. Analytical solutions of a fractional diffusion-advection equation for solar cosmic-ray transport

    International Nuclear Information System (INIS)

    Litvinenko, Yuri E.; Effenberger, Frederic

    2014-01-01

    Motivated by recent applications of superdiffusive transport models to shock-accelerated particle distributions in the heliosphere, we analytically solve a one-dimensional fractional diffusion-advection equation for the particle density. We derive an exact Fourier transform solution, simplify it in a weak diffusion approximation, and compare the new solution with previously available analytical results and with a semi-numerical solution based on a Fourier series expansion. We apply the results to the problem of describing the transport of energetic particles, accelerated at a traveling heliospheric shock. Our analysis shows that significant errors may result from assuming an infinite initial distance between the shock and the observer. We argue that the shock travel time should be a parameter of a realistic superdiffusive transport model.

  1. Vibrational dynamics of aqueous hydroxide solutions probed using broadband 2DIR spectroscopy

    International Nuclear Information System (INIS)

    Mandal, Aritra; Tokmakoff, Andrei

    2015-01-01

    We employed ultrafast transient absorption and broadband 2DIR spectroscopy to study the vibrational dynamics of aqueous hydroxide solutions by exciting the O–H stretch vibrations of the strongly hydrogen-bonded hydroxide solvation shell water and probing the continuum absorption of the solvated ion between 1500 and 3800 cm −1 . We observe rapid vibrational relaxation processes on 150–250 fs time scales across the entire probed spectral region as well as slower vibrational dynamics on 1–2 ps time scales. Furthermore, the O–H stretch excitation loses its frequency memory in 180 fs, and vibrational energy exchange between bulk-like water vibrations and hydroxide-associated water vibrations occurs in ∼200 fs. The fast dynamics in this system originate in strong nonlinear coupling between intra- and intermolecular vibrations and are explained in terms of non-adiabatic vibrational relaxation. These measurements indicate that the vibrational dynamics of the aqueous hydroxide complex are faster than the time scales reported for long-range transport of protons in aqueous hydroxide solutions

  2. Non-probabilistic solutions of imprecisely defined fractional-order diffusion equations

    International Nuclear Information System (INIS)

    Chakraverty, S.; Tapaswini, Smita

    2014-01-01

    The fractional diffusion equation is one of the most important partial differential equations (PDEs) to model problems in mathematical physics. These PDEs are more practical when those are combined with uncertainties. Accordingly, this paper investigates the numerical solution of a non-probabilistic viz. fuzzy fractional-order diffusion equation subjected to various external forces. A fuzzy diffusion equation having fractional order 0 < α ≤ 1 with fuzzy initial condition is taken into consideration. Fuzziness appearing in the initial conditions is modelled through convex normalized triangular and Gaussian fuzzy numbers. A new computational technique is proposed based on double parametric form of fuzzy numbers to handle the fuzzy fractional diffusion equation. Using the single parametric form of fuzzy numbers, the original fuzzy diffusion equation is converted first into an interval-based fuzzy differential equation. Next, this equation is transformed into crisp form by using the proposed double parametric form of fuzzy numbers. Finally, the same is solved by Adomian decomposition method (ADM) symbolically to obtain the uncertain bounds of the solution. Computed results are depicted in terms of plots. Results obtained by the proposed method are compared with the existing results in special cases. (general)

  3. Connecting complexity with spectral entropy using the Laplace transformed solution to the fractional diffusion equation

    Science.gov (United States)

    Liang, Yingjie; Chen, Wen; Magin, Richard L.

    2016-07-01

    Analytical solutions to the fractional diffusion equation are often obtained by using Laplace and Fourier transforms, which conveniently encode the order of the time and the space derivatives (α and β) as non-integer powers of the conjugate transform variables (s, and k) for the spectral and the spatial frequencies, respectively. This study presents a new solution to the fractional diffusion equation obtained using the Laplace transform and expressed as a Fox's H-function. This result clearly illustrates the kinetics of the underlying stochastic process in terms of the Laplace spectral frequency and entropy. The spectral entropy is numerically calculated by using the direct integration method and the adaptive Gauss-Kronrod quadrature algorithm. Here, the properties of spectral entropy are investigated for the cases of sub-diffusion and super-diffusion. We find that the overall spectral entropy decreases with the increasing α and β, and that the normal or Gaussian case with α = 1 and β = 2, has the lowest spectral entropy (i.e., less information is needed to describe the state of a Gaussian process). In addition, as the neighborhood over which the entropy is calculated increases, the spectral entropy decreases, which implies a spatial averaging or coarse graining of the material properties. Consequently, the spectral entropy is shown to provide a new way to characterize the temporal correlation of anomalous diffusion. Future studies should be designed to examine changes of spectral entropy in physical, chemical and biological systems undergoing phase changes, chemical reactions and tissue regeneration.

  4. Charged BTZ-like black hole solutions and the diffusivity-butterfly velocity relation

    Science.gov (United States)

    Ge, Xian-Hui; Sin, Sang-Jin; Tian, Yu; Wu, Shao-Feng; Wu, Shang-Yu

    2018-01-01

    We show that there exists a class of charged BTZ-like black hole solutions in Lifshitz spacetime with a hyperscaling violating factor. The charged BTZ black hole is characterized by a charge-dependent logarithmic term in the metric function. As concrete examples, we give five such charged BTZ-like black hole solutions and the standard charged BTZ metric can be regarded as a special instance of them. In order to check the recent proposed universal relations between diffusivity and the butterfly velocity, we first compute the diffusion constants of the standard charged BTZ black holes and then extend our calculation to arbitrary dimension d, exponents z and θ. Remarkably, the case d = θ and z = 2 is a very special in that the charge diffusion D c is a constant and the energy diffusion D e might be ill-defined, but v B 2 τ diverges. We also compute the diffusion constants for the case that the DC conductivity is finite but in the absence of momentum relaxation.

  5. A Solution of the Convective-Diffusion Equation for Solute Mass Transfer inside a Capillary Membrane Bioreactor

    Directory of Open Access Journals (Sweden)

    B. Godongwana

    2010-01-01

    Full Text Available This paper presents an analytical model of substrate mass transfer through the lumen of a membrane bioreactor. The model is a solution of the convective-diffusion equation in two dimensions using a regular perturbation technique. The analysis accounts for radial-convective flow as well as axial diffusion of the substrate specie. The model is applicable to the different modes of operation of membrane bioreactor (MBR systems (e.g., dead-end, open-shell, or closed-shell mode, as well as the vertical or horizontal orientation. The first-order limit of the Michaelis-Menten equation for substrate consumption was used to test the developed model against available analytical results. The results obtained from the application of this model, along with a biofilm growth kinetic model, will be useful in the derivation of an efficiency expression for enzyme production in an MBR.

  6. Long-term solute diffusion in a granite block immersed in sea water

    International Nuclear Information System (INIS)

    Jefferies, N.L.

    1988-01-01

    Solute diffusion profiles for Cl - , Br - , F - and SO 4 -- have been measured in a granite block which was immersed in the sea at Falmouth, Cornwall, for 30 years. Leachable concentrations of Cl - and Br - were found to be higher in the block than in quarry samples of granite, which demonstrates that solutes from the sea water have diffused into the block. The Cl - and Br - profiles within the block were flat, implying that equilibrium has been reached between the seawater and granite porewater. The apparent diffusion coefficient and the solute accessible porosity have been estimated from these profiles, and these were used to calculate the intrinsic diffusion coefficient which was then compared with previously obtained laboratory data. Concentration profiles for F - and S0 4 -- indicate that these elements have high concentrations at the margins of the block (to depths of up to 15 cm) and are in the process of diffusing outwards into the surrounding seawater. The initially high porewater concentrations of F - and SO 4 -- in the block are believed to result from weathering of the granite prior to its immersion in the sea, due to the breakdown of primary minerals such as pyrite and the micas. F - and SO 4 -- sorptivity has been estimated from an analysis of the porewater concentration profiles. This preliminary experiment has demonstrated the potential for the measurement of solute migration in granite, as a result of the rock having been immersed in seawater. This work is part of the CEC project MIRAGE (radionuclide migration in the geosphere)- Second phase (1985-89) Research area 'Natural analogues'

  7. Communication: Relationship between solute localization and diffusion in a dynamically constrained polymer system

    Energy Technology Data Exchange (ETDEWEB)

    Saylor, David M.; Jawahery, Sudi; Silverstein, Joshua S.; Forrey, Christopher [Center for Devices and Radiological Health, FDA, Silver Spring, Maryland 20993 (United States)

    2016-07-21

    We investigate the link between dynamic localization, characterized by the Debye–Waller factor, 〈u{sup 2}〉, and solute self-diffusivity, D, in a polymer system using atomistic molecular dynamics simulations and vapor sorption experiments. We find a linear relationship between lnD and 1/〈u{sup 2}〉 over more than four decades of D, encompassing most of the glass formation regime. The observed linearity is consistent with the Langevin dynamics in a periodically varying potential field and may offer a means to rapidly assess diffusion based on the characterization of dynamic localization.

  8. Generalized Analytical Treatment Of The Source Strength In The Solution Of The Diffusion Equation

    International Nuclear Information System (INIS)

    Essa, Kh.S.M.; EI-Otaify, M.S.

    2007-01-01

    The source release strength (which is an integral part of the mathematical formulation of the diffusion equation) together with the boundary conditions leads to three different forms of the diffusion equation. The obtained forms have been solved analytically under different boundary conditions, by using transformation of axis, cosine, and Fourier transformation. Three equivalent alternative mathematical formulations of the problem have been obtained. The estimated solution of the concentrations at the ground source has been used for comparison with observed concentrations data for SF 6 tracer experiments in low wind and unstable conditions at lIT Delhi sports ground. A good agreement between estimated and observed concentrations is found

  9. Comparison of finite-difference and variational solutions to advection-diffusion problems

    International Nuclear Information System (INIS)

    Lee, C.E.; Washington, K.E.

    1984-01-01

    Two numerical solution methods are developed for 1-D time-dependent advection-diffusion problems on infinite and finite domains. Numerical solutions are compared with analytical results for constant coefficients and various boundary conditions. A finite-difference spectrum method is solved exactly in time for periodic boundary conditions by a matrix operator method and exhibits excellent accuracy compared with other methods, especially at late times, where it is also computationally more efficient. Finite-system solutions are determined from a conservational variational principle with cubic spatial trial functions and solved in time by a matrix operator method. Comparisons of problems with few nodes show excellent agreement with analytical solutions and exhibit the necessity of implementing Lagrangian conservational constraints for physically-correct solutions. (author)

  10. Solution of two group neutron diffusion equation by using homotopy analysis method

    International Nuclear Information System (INIS)

    Cavdar, S.

    2010-01-01

    The Homotopy Analysis Method (HAM), proposed in 1992 by Shi Jun Liao and has been developed since then, is based on differential geometry as well as homotopy which is a fundamental concept in topology. It has proved to be useful for obtaining series solutions of many such problems involving algebraic, linear/non-linear, ordinary/partial differential equations, differential-integral equations, differential-difference equations, and coupled equations of them. Briefly, through HAM, it is possible to construct a continuous mapping of an initial guess approximation to the exact solution of the equation of concern. An auxiliary linear operator is chosen to construct such kind of a continuous mapping and an auxiliary parameter is used to ensure the convergence of series solution. We present the solutions of two-group neutron diffusion equation through HAM in this work. We also compare the results with that obtained by other well-known solution analytical and numeric methods.

  11. Probing white-matter microstructure with higher-order diffusion tensors and susceptibility tensor MRI

    Science.gov (United States)

    Liu, Chunlei; Murphy, Nicole E.; Li, Wei

    2012-01-01

    Diffusion MRI has become an invaluable tool for studying white matter microstructure and brain connectivity. The emergence of quantitative susceptibility mapping and susceptibility tensor imaging (STI) has provided another unique tool for assessing the structure of white matter. In the highly ordered white matter structure, diffusion MRI measures hindered water mobility induced by various tissue and cell membranes, while susceptibility sensitizes to the molecular composition and axonal arrangement. Integrating these two methods may produce new insights into the complex physiology of white matter. In this study, we investigated the relationship between diffusion and magnetic susceptibility in the white matter. Experiments were conducted on phantoms and human brains in vivo. Diffusion properties were quantified with the diffusion tensor model and also with the higher order tensor model based on the cumulant expansion. Frequency shift and susceptibility tensor were measured with quantitative susceptibility mapping and susceptibility tensor imaging. These diffusion and susceptibility quantities were compared and correlated in regions of single fiber bundles and regions of multiple fiber orientations. Relationships were established with similarities and differences identified. It is believed that diffusion MRI and susceptibility MRI provide complementary information of the microstructure of white matter. Together, they allow a more complete assessment of healthy and diseased brains. PMID:23507987

  12. An approximate stationary solution for multi-allele neutral diffusion with low mutation rates.

    Science.gov (United States)

    Burden, Conrad J; Tang, Yurong

    2016-12-01

    We address the problem of determining the stationary distribution of the multi-allelic, neutral-evolution Wright-Fisher model in the diffusion limit. A full solution to this problem for an arbitrary K×K mutation rate matrix involves solving for the stationary solution of a forward Kolmogorov equation over a (K-1)-dimensional simplex, and remains intractable. In most practical situations mutations rates are slow on the scale of the diffusion limit and the solution is heavily concentrated on the corners and edges of the simplex. In this paper we present a practical approximate solution for slow mutation rates in the form of a set of line densities along the edges of the simplex. The method of solution relies on parameterising the general non-reversible rate matrix as the sum of a reversible part and a set of (K-1)(K-2)/2 independent terms corresponding to fluxes of probability along closed paths around faces of the simplex. The solution is potentially a first step in estimating non-reversible evolutionary rate matrices from observed allele frequency spectra. Copyright © 2016 Elsevier Inc. All rights reserved.

  13. Diffusion Dominant Solute Transport Modelling In Deep Repository Under The Effect of Emplacement Media Degradation - 13285

    International Nuclear Information System (INIS)

    Kwong, S.; Jivkov, A.P.

    2013-01-01

    Deep geologic disposal of high activity and long-lived radioactive waste is being actively considered and pursued in many countries, where low permeability geological formations are used to provide long term waste contaminant with minimum impact to the environment and risk to the biosphere. A multi-barrier approach that makes use of both engineered and natural barriers (i.e. geological formations) is often used to further enhance the containment performance of the repository. As the deep repository system subjects to a variety of thermo-hydro-chemo-mechanical (THCM) effects over its long 'operational' lifespan (e.g. 0.1 to 1.0 million years, the integrity of the barrier system will decrease over time (e.g. fracturing in rock or clay)). This is broadly referred as media degradation in the present study. This modelling study examines the effects of media degradation on diffusion dominant solute transport in fractured media that are typical of deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes, while the effects of degradation is studied using a pore network model that considers the media diffusivity and network changes. Model results are presented to demonstrate the use of a 3D pore-network model, using a novel architecture, to calculate macroscopic properties of the medium such as diffusivity, subject to pore space changes as the media degrade. Results from a reactive transport model of a representative geological waste disposal package are also presented to demonstrate the effect of media property change on the solute migration behaviour, illustrating the complex interplay between kinetic biogeochemical processes and diffusion dominant transport. The initial modelling results demonstrate the feasibility of a coupled modelling approach (using pore-network model and reactive

  14. Solution of linear and nonlinear matrix systems. Application to a nonlinear diffusion equation

    International Nuclear Information System (INIS)

    Bonnet, M.; Meurant, G.

    1978-01-01

    Different methods of solution of linear and nonlinear algebraic systems are applied to the nonlinear system obtained by discretizing a nonlinear diffusion equation. For linear systems, methods in general use of alternating directions type or Gauss Seidel's methods are compared to more recent ones of the type of generalized conjugate gradient; the superiority of the latter is shown by numerical examples. For nonlinear systems, a method on nonlinear conjugate gradient is studied as also Newton's method and some of its variants. It should be noted, however that Newton's method is found to be more efficient when coupled with a good method for solution of the linear system. To conclude, such methods are used to solve a nonlinear diffusion problem and the numerical results obtained are to be compared [fr

  15. NMR relaxometric probing of ionic liquid dynamics and diffusion under mesoscopic confinement within bacterial cellulose ionogels

    Science.gov (United States)

    Smith, Chip J.; Gehrke, Sascha; Hollóczki, Oldamur; Wagle, Durgesh V.; Heitz, Mark P.; Baker, Gary A.

    2018-05-01

    Bacterial cellulose ionogels (BCIGs) represent a new class of material comprising a significant content of entrapped ionic liquid (IL) within a porous network formed from crystalline cellulose microfibrils. BCIGs suggest unique opportunities in separations, optically active materials, solid electrolytes, and drug delivery due to the fact that they can contain as much as 99% of an IL phase by weight, coupled with an inherent flexibility, high optical transparency, and the ability to control ionogel cross-sectional shape and size. To allow for the tailoring of BCIGs for a multitude of applications, it is necessary to better understand the underlying principles of the mesoscopic confinement within these ionogels. Toward this, we present a study of the structural, relaxation, and diffusional properties of the ILs, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([emim][Tf2N]) and 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([bmpy][Tf2N]), using 1H and 19F NMR T1 relaxation times, rotational correlation times, and diffusion ordered spectroscopy (DOSY) diffusion coefficients, accompanied by molecular dynamics (MD) simulations. We observed that the cation methyl groups in both ILs were primary points of interaction with the cellulose chains and, while the pore size in cellulose is rather large, [emim]+ diffusion was slowed by ˜2-fold, whereas [Tf2N]- diffusion was unencumbered by incorporation in the ionogel. While MD simulations of [bmpy][Tf2N] confinement at the interface showed a diffusion coefficient decrease roughly 3-fold compared to the bulk liquid, DOSY measurements did not reveal any significant changes in diffusion. This suggests that the [bmpy][Tf2N] alkyl chains dominate diffusion through formation of apolar domains. This is in contrast to [emim][Tf2N] where delocalized charge appears to preclude apolar domain formation, allowing interfacial effects to be manifested at a longer range in [emim][Tf2N].

  16. Application of Delaunay tessellation for the characterization of solute-rich clusters in atom probe tomography

    International Nuclear Information System (INIS)

    Lefebvre, W.; Philippe, T.; Vurpillot, F.

    2011-01-01

    This work presents an original method for cluster selection in Atom Probe Tomography designed to be applied to large datasets. It is based on the calculation of the Delaunay tessellation generated by the distribution of atoms of a selected element. It requires a single input parameter from the user. Furthermore, no prior knowledge of the material is needed. The sensitivity of the proposed Delaunay cluster selection is demonstrated by its application on simulated APT datasets. A strong advantage of the proposed methodology is that it is reinforced by the availability of an analytical model for the distribution of Delaunay cells circumspheres, which is used to control the accuracy of the cluster selection procedure. Another advantage of the Delaunay cluster selection is the direct calculation of a sharp envelope for each identified cluster or precipitate, which leads to the more appropriate morphology of the objects as they are reconstructed in the APT dataset. -- Research Highligthts: →Original method for cluster selection in Atom Probe Tomography. →Delaunay tessellation generated by the distribution of solute atoms. →Direct calculation of a sharp envelope for each identified cluster or precipitate. →Delaunay cluster selection demonstrated by its application on simulated APT datasets.

  17. General solution of the aerosol dynamic equation: growth and diffusion processes

    International Nuclear Information System (INIS)

    Elgarayhi, A.; Elhanbaly, A.

    2004-01-01

    The dispersion of aerosol particles in a fluid media is studied considering the main mechanism for condensation and diffusion. This has been done when the technique of Lie is used for solving the aerosol dynamic equation. This method is very useful in sense that it reduces the partial differential equation to some ordinary differential equations. So, different classes of similarity solutions have been obtained. The quantity of well-defined physical interest is the mean particle volume has been calculated

  18. On weak solutions to a diffuse interface model of a binary mixture of compressible fluids

    Czech Academy of Sciences Publication Activity Database

    Feireisl, Eduard

    2016-01-01

    Roč. 9, č. 1 (2016), s. 173-183 ISSN 1937-1632 R&D Projects: GA ČR GA13-00522S Institutional support: RVO:67985840 Keywords : Euler-Cahn-Hilliard system * weak solution * diffuse interface model Subject RIV: BA - General Mathematics Impact factor: 0.781, year: 2016 http://aimsciences.org/journals/displayArticlesnew.jsp?paperID=12093

  19. A numerical solution for a class of time fractional diffusion equations with delay

    Directory of Open Access Journals (Sweden)

    Pimenov Vladimir G.

    2017-09-01

    Full Text Available This paper describes a numerical scheme for a class of fractional diffusion equations with fixed time delay. The study focuses on the uniqueness, convergence and stability of the resulting numerical solution by means of the discrete energy method. The derivation of a linearized difference scheme with convergence order O(τ2−α+ h4 in L∞-norm is the main purpose of this study. Numerical experiments are carried out to support the obtained theoretical results.

  20. Traveling Wave Solutions of Reaction-Diffusion Equations Arising in Atherosclerosis Models

    Directory of Open Access Journals (Sweden)

    Narcisa Apreutesei

    2014-05-01

    Full Text Available In this short review article, two atherosclerosis models are presented, one as a scalar equation and the other one as a system of two equations. They are given in terms of reaction-diffusion equations in an infinite strip with nonlinear boundary conditions. The existence of traveling wave solutions is studied for these models. The monostable and bistable cases are introduced and analyzed.

  1. Solutions to aggregation-diffusion equations with nonlinear mobility constructed via a deterministic particle approximation

    OpenAIRE

    Fagioli, Simone; Radici, Emanuela

    2018-01-01

    We investigate the existence of weak type solutions for a class of aggregation-diffusion PDEs with nonlinear mobility obtained as large particle limit of a suitable nonlocal version of the follow-the-leader scheme, which is interpreted as the discrete Lagrangian approximation of the target continuity equation. We restrict the analysis to nonnegative initial data in $L^{\\infty} \\cap BV$ away from vacuum and supported in a closed interval with zero-velocity boundary conditions. The main novelti...

  2. Pseudospectral operational matrix for numerical solution of single and multiterm time fractional diffusion equation

    OpenAIRE

    GHOLAMI, SAEID; BABOLIAN, ESMAIL; JAVIDI, MOHAMMAD

    2016-01-01

    This paper presents a new numerical approach to solve single and multiterm time fractional diffusion equations. In this work, the space dimension is discretized to the Gauss$-$Lobatto points. We use the normalized Grunwald approximation for the time dimension and a pseudospectral successive integration matrix for the space dimension. This approach shows that with fewer numbers of points, we can approximate the solution with more accuracy. Some examples with numerical results in tables and fig...

  3. Semi-analytical solutions of the Schnakenberg model of a reaction-diffusion cell with feedback

    Science.gov (United States)

    Al Noufaey, K. S.

    2018-06-01

    This paper considers the application of a semi-analytical method to the Schnakenberg model of a reaction-diffusion cell. The semi-analytical method is based on the Galerkin method which approximates the original governing partial differential equations as a system of ordinary differential equations. Steady-state curves, bifurcation diagrams and the region of parameter space in which Hopf bifurcations occur are presented for semi-analytical solutions and the numerical solution. The effect of feedback control, via altering various concentrations in the boundary reservoirs in response to concentrations in the cell centre, is examined. It is shown that increasing the magnitude of feedback leads to destabilization of the system, whereas decreasing this parameter to negative values of large magnitude stabilizes the system. The semi-analytical solutions agree well with numerical solutions of the governing equations.

  4. Diffusion kinetics and spinodal decay of quasi-equilibrium solid solutions

    International Nuclear Information System (INIS)

    Zakharov, M.A.

    2000-01-01

    Phenomenological theory for rearrangement of solid solutions with the hierarchy of the component atomic mobilities is elaborated in the approximation of the local equilibrium. The hydrodynamic stage of the evolution of these solutions is studied as a sequence of quasi-equilibrium states characterized by implementation of some conditions of the total equilibrium. On the basis of separation of fast and slow constituents of diffusion and on the basis of the method of reduced description one derived equation for evolution of separations of fast components in quasi-equilibrium solid solutions at the arbitrary stages of rearrangement in terms of the generalized lattice model taking account of the proper volumes of the components. The conditions of the stability of quasi-equilibrium solutions to the spinodal decomposition are determined and the equations of metastability boundaries of such systems are derived [ru

  5. Development of a coarse mesh code for the solution of two group static diffusion problems

    International Nuclear Information System (INIS)

    Barros, R.C. de.

    1985-01-01

    This new coarse mesh code designed for the solution of 2 and 3 dimensional static diffusion problems, is based on an alternating direction method which consists in the solution of one dimensional problem along each coordinate direction with leakage terms for the remaining directions estimated from previous interactions. Four versions of this code have been developed: AD21 - 2D - 1/4, AD21 - 2D - 4/4, AD21 - 3D - 1/4 and AD21 - 3D - 4/4; these versions have been designed for 2 and 3 dimensional problems with or without 1/4 symmetry. (Author) [pt

  6. Periodic solutions for a two-species nonautonomous competition system with diffusion and impulses

    International Nuclear Information System (INIS)

    Dong Lingzhen; Chen Lansun; Shi Peilin

    2007-01-01

    By re-estimating the upper bound of ∫ 0 ω e u i (t) dt (i=1,2), we generalize a result about the existence of a positive periodic solution for a two-species nonautonomous patchy competition system with time delay. Based on that system, we consider the impulsive harvesting and stocking, and establish a two-species nonautonomous competition Lotka-Volterra system with diffusion and impulsive effects. With the continuation theorem of coincidence degree theory, we obtain the existence of a positive periodic solution for such a system. At last, two examples are given to demonstrate our results

  7. Density-Dependent Conformable Space-time Fractional Diffusion-Reaction Equation and Its Exact Solutions

    Science.gov (United States)

    Hosseini, Kamyar; Mayeli, Peyman; Bekir, Ahmet; Guner, Ozkan

    2018-01-01

    In this article, a special type of fractional differential equations (FDEs) named the density-dependent conformable fractional diffusion-reaction (DDCFDR) equation is studied. Aforementioned equation has a significant role in the modelling of some phenomena arising in the applied science. The well-organized methods, including the \\exp (-φ (\\varepsilon )) -expansion and modified Kudryashov methods are exerted to generate the exact solutions of this equation such that some of the solutions are new and have been reported for the first time. Results illustrate that both methods have a great performance in handling the DDCFDR equation.

  8. Solution of two-dimensional diffusion equation for hexagonal cells by the finite Fourier transformation

    International Nuclear Information System (INIS)

    Kobayashi, Keisuke

    1975-01-01

    A method of solution is presented for a monoenergetic diffusion equation in two-dimensional hexagonal cells by a finite Fourier transformation. Up to the present, the solution by the finite Fourier transformation has been developed for x-y, r-z and x-y-z geometries, and the flux and current at the boundary are obtained in terms of Fourier series. It is shown here that the method can be applied to hexagonal cells and the expansion of boundary values in a Legendre polynomials gives numerically a higher accuracy than is obtained by a Fourier series. (orig.) [de

  9. Probing ion-specific effects on aqueous acetate solutions: Ion pairing versus water structure modifications

    Directory of Open Access Journals (Sweden)

    Tristan Petit

    2014-05-01

    Full Text Available The effect of monovalent cations (Li+, K+, NH4+, Na+ on the water structure in aqueous chloride and acetate solutions was characterized by oxygen K-edge X-ray absorption spectroscopy (XAS, X-ray emission spectroscopy, and resonant inelastic X-ray scattering (RIXS of a liquid microjet. We show ion- and counterion dependent effects on the emission spectra of the oxygen K-edge, which we attribute to modifications of the hydrogen bond network of water. For acetates, ion pairing with carboxylates was also probed selectively by XAS and RIXS. We correlate our experimental results to speciation data and to the salting-out properties of the cations.

  10. Probing the diffusion of vacuum ultraviolet ({lambda} = 172 nm) induced oxidants by nanoparticles immobilization

    Energy Technology Data Exchange (ETDEWEB)

    Khatri, Om P.; Hatanaka, Takeshi; Murase, Kuniaki [Department of Materials Science and Engineering, Kyoto University, Sakyo-ku, Kyoto 606-8501 (Japan); Sugimura, Hiroyuki, E-mail: hiroyuki.sugimura@materials.mbox.media.kyoto-u.ac.jp [Department of Materials Science and Engineering, Kyoto University, Sakyo-ku, Kyoto 606-8501 (Japan)

    2009-09-30

    Vacuum ultraviolet (VUV, {lambda} = 172 nm) patterning of alkyl monolayer on silicon surface has been demonstrated with emphasis on the diffusion of VUV induced oxygen-derived active species, which are accountable for the pattern broadening. The VUV photons photo-dissociates the atmospheric oxygen and water molecules into the oxygen-derived active species (oxidants). These oxidants photo-oxidize the hexadecyl (HD) monolayer in VUV irradiated regions (Khatri et al., Langmuir. 24 (2008) 12077), as well as the little concentration of oxidants diffuses towards the masked areas. In this study, we performed VUV patterning at a vacuum pressure of 10 Pa to track the diffusion pathways for the oxidants with help of gold nanoparticles (AuNPs; {phi} = 10 nm) immobilization. At VUV irradiated sites AuNPs are found as uniformly distributed, but adjacent to the pattern boundary we observed quasi-linear arrays of AuNPs, which are determined by diffusion pathways of the oxidants. The diffusion of oxidants plays vital role in pattern broadening. The site selective anchoring of AuNPs demonstrates the utility of VUV photons for the construction of functional materials with microstructural architecture.

  11. Similarity solutions of reaction–diffusion equation with space- and time-dependent diffusion and reaction terms

    Energy Technology Data Exchange (ETDEWEB)

    Ho, C.-L. [Department of Physics, Tamkang University, Tamsui 25137, Taiwan (China); Lee, C.-C., E-mail: chieh.no27@gmail.com [Center of General Education, Aletheia University, Tamsui 25103, Taiwan (China)

    2016-01-15

    We consider solvability of the generalized reaction–diffusion equation with both space- and time-dependent diffusion and reaction terms by means of the similarity method. By introducing the similarity variable, the reaction–diffusion equation is reduced to an ordinary differential equation. Matching the resulting ordinary differential equation with known exactly solvable equations, one can obtain corresponding exactly solvable reaction–diffusion systems. Several representative examples of exactly solvable reaction–diffusion equations are presented.

  12. Analytical Solutions of Ionic Diffusion and Heat Conduction in Multilayered Porous Media

    Directory of Open Access Journals (Sweden)

    Yu Bai

    2015-01-01

    Full Text Available Ionic diffusion and heat conduction in a multiple layered porous medium have many important engineering applications. One of the examples is the chloride ions from deicers penetrating into concrete structures such as bridge decks. Different overlays can be placed on top of concrete surface to slowdown the chloride penetration. In this paper, the chloride ion diffusion equations were established for concrete structures with multiple layers of protective system. By using Laplace transformation, an analytical solution was developed first for chloride concentration profiles in two-layered system and then extended to multiple layered systems with nonconstant boundary conditions, including the constant boundary and linear boundary conditions. Because ionic diffusion in saturated media and heat conduction are governed by the same form of partial differential equations with different materials parameters, the analytical solution was further extended to handle heat conduction in a multiple layered system under nonconstant boundary conditions. The numerical results were compared with available test data. The basic trends of the analytical solution and the test data agreed quite well.

  13. A new Schiff base based on vanillin and naphthalimide as a fluorescent probe for Ag+ in aqueous solution

    Science.gov (United States)

    Zhou, Yanmei; Zhou, Hua; Ma, Tongsen; Zhang, Junli; Niu, Jingyang

    2012-03-01

    A new Schiff base based on vanillin and naphthalimide was designed and synthesized as fluorescent probe. The probe showed high selectivity for Ag+ over other metal ions such as Pb2+, Na+, K+, Cd2+, Ba2+, Cr3+, Zn2+, Cu2+, Ni2+, Ca2+, Al3+ and Mg2+ in aqueous solution. A new fluorescence emission was observed at 682 nm in the presence of Ag+ ion. The fluorescence intensity quenched with increasing the concentration of Ag+ at 682 nm. The method of job's plot confirmed the 1:2 complex between Ag+ and probe, and the mechanism was proposed.

  14. Highly anisotropic mobility in solution processed TIPS-pentacene film studied by independently driven four GaIn probes

    Science.gov (United States)

    Yoshimoto, Shinya; Takahashi, Kohtaro; Suzuki, Mitsuharu; Yamada, Hiroko; Miyahara, Ryosuke; Mukai, Kozo; Yoshinobu, Jun

    2017-08-01

    We have studied in-plane anisotropy in the field-effect mobility of solution-processed organic semiconductor 6,13-bis(triisopropylsilylethynyl)pentacene by using independently driven four gallium indium (Ga-In) probes. Liquid-metal Ga-In probes are highly effective for reproducible conductivity measurements of organic thin films. We demonstrated that a high mobility anisotropy of 44 was obtained by using a square four-probe method and a feedback circuit to keep the channel potential constant. The present method minimized the influences of the contact resistance and the insensitivity of anisotropy in a linear arrangement in two-dimensional field-effect transistors.

  15. Probing the type of anomalous diffusion with single-particle tracking.

    Science.gov (United States)

    Ernst, Dominique; Köhler, Jürgen; Weiss, Matthias

    2014-05-07

    Many reactions in complex fluids, e.g. signaling cascades in the cytoplasm of living cells, are governed by a diffusion-driven encounter of reactants. Yet, diffusion in complex fluids often exhibits an anomalous characteristic ('subdiffusion'). Since different types of subdiffusion have distinct effects on timing and equilibria of chemical reactions, a thorough determination of the reactants' type of random walk is key to a quantitative understanding of reactions in complex fluids. Here we introduce a straightforward and simple approach for determining the type of subdiffusion from single-particle tracking data. Unlike previous approaches, our method also is sensitive to transient subdiffusion phenomena, e.g. obstructed diffusion below the percolation threshold. We validate our strategy with data from experiment and simulation.

  16. Thermal diffusivity measurement in thin metallic filaments using the mirage method with multiple probe beams and a digital camera

    Science.gov (United States)

    Vargas, E.; Cifuentes, A.; Alvarado, S.; Cabrera, H.; Delgado, O.; Calderón, A.; Marín, E.

    2018-02-01

    Photothermal beam deflection is a well-established technique for measuring thermal diffusivity. In this technique, a pump laser beam generates temperature variations on the surface of the sample to be studied. These variations transfer heat to the surrounding medium, which may be air or any other fluid. The medium in turn experiences a change in the refractive index, which will be proportional to the temperature field on the sample surface when the distance to this surface is small. A probe laser beam will suffer a deflection due to the refractive index periodical changes, which is usually monitored by means of a quadrant photodetector or a similar device aided by lock-in amplification. A linear relationship that arises in this technique is that given by the phase lag of the thermal wave as a function of the distance to a punctual heat source when unidimensional heat diffusion can be guaranteed. This relationship is useful in the calculation of the sample's thermal diffusivity, which can be obtained straightforwardly by the so-called slope method, if the pump beam modulation frequency is well-known. The measurement procedure requires the experimenter to displace the probe beam at a given distance from the heat source, measure the phase lag at that offset, and repeat this for as many points as desired. This process can be quite lengthy in dependence of the number points. In this paper, we propose a detection scheme, which overcomes this limitation and simplifies the experimental setup using a digital camera that substitutes all detection hardware utilizing motion detection techniques and software digital signal lock-in post-processing. In this work, the method is demonstrated using thin metallic filaments as samples.

  17. Solution-diffusion with defects model for pressure-assisted forward osmosis

    KAUST Repository

    Duan, Jintang

    2014-11-01

    An osmosis transport model is presented that combines the standard internal and external concentration polarization equations in the forward osmosis (FO) field with the selective layer transport equations first proposed by Sherwood in 1967. The Sherwood model describes water flux as the sum of a solute-selective, diffusive component driven by the sum of osmotic pressure and hydraulic pressure differences, and a nonselective, convective component driven by hydraulic pressure difference only. This solution-diffusion with defects (SDWD) model and the solution-diffusion (SD) model were compared against data collected using polyamide thin-film-composite (PA-TFC) and integrally-skinned asymmetric cellulose triacetate (CTA) membranes, evaluated in various configurations. When tested with pure water on the porous support side and 1.5. M (π=72.7. bar) sodium chloride solution on the selective layer side, applying 1.25. bar of hydraulic pressure to the porous support side increased water flux by an order of magnitude for PA-TFC membranes, but had negligible effect on CTA membrane flux. These large flux variations can be explained by the SDWD model, but not the SD model. To confirm the existence of defects, a PA-TFC membrane was coated with a uniform, highly water-permeable, nonselective polymer. After coating to block convection through defects, the influence of hydraulic pressure on water flux through this membrane essentially disappeared. Water flux through these defects is low (<1% of total water flux for PA-TFC membranes) and of little consequence in practical FO or reverse osmosis (RO) applications. But in pressure-assisted forward osmosis (PAFO) or pressure-retarded osmosis (PRO), convective transport through defects affects the solute concentration difference across the membrane selective layer, increasing or decreasing water flux through defect-free regions. The presence of defects may explain why membrane power density in PRO is lower than that predicted based on

  18. Diffusion and localization of o-Ps in Dsub(2)O determined from positron annihilation in SDS micellar solutions

    International Nuclear Information System (INIS)

    Vass, Sz.; Kajcsos, Zs.; Molnar, B.

    1985-04-01

    A microscopic diffusion model is presented for the determination of orthopositronium (o-Ps) lifetime in micellar solutions. Among other parameters, the lifetime density function depends on the o-Ps diffusion coefficient in the water phase. Orthopositronium diffusion coefficients are determined by fitting this lifetime density function to positron annihilation spectra obtained from 1 mol/dmsup(3) solution of sodium dodecylsulphate (SDS) in Dsub(2)O at different temperatures. The activation energy of the o-Ps diffusion in Dsub(2)O obtained from the Arrhenius-plot as Esub(a)=(0.9sub(22)+-0.1sub(03)) eV indicates strong localization. (author)

  19. Probing Exciton Diffusion and Dissociation in Single-Walled Carbon Nanotube-C60 Heterojunctions

    Energy Technology Data Exchange (ETDEWEB)

    Dowgiallo, Anne-Marie; Mistry, Kevin S.; Johnson, Justin C.; Reid, Obadiah G.; Blackburn, Jeffrey L.

    2016-05-19

    The efficiency of thin-film organic photovoltaic (OPV) devices relies heavily upon the transport of excitons to type-II heterojunction interfaces, where there is sufficient driving force for exciton dissociation and ultimately the formation of charge carriers. Semiconducting single-walled carbon nanotubes (SWCNTs) are strong near-infrared absorbers that form type-II heterojunctions with fullerenes such as C60. Although the efficiencies of SWCNT-fullerene OPV devices have climbed over the past few years, questions remain regarding the fundamental factors that currently limit their performance. In this study, we determine the exciton diffusion length in the C60 layer of SWCNT-C60 bilayer active layers using femtosecond transient absorption measurements. We demonstrate that hole transfer from photoexcited C60 molecules to SWCNTs can be tracked by the growth of narrow spectroscopic signatures of holes in the SWCNT 'reporter layer'. In bilayers with thick C60 layers, the SWCNT charge-related signatures display a slow rise over hundreds of picoseconds, reflecting exciton diffusion through the C60 layer to the interface. A model based on exciton diffusion with a Beer-Lambert excitation profile, as well as Monte Carlo simulations, gives the best fit to the data as a function of C60 layer thickness using an exciton diffusion length of approximately 5 nm.

  20. Anomalous diffusion of a probe in a bath of active granular chains

    Science.gov (United States)

    Jerez, Michael Jade Y.; Confesor, Mark Nolan P.; Carpio-Bernido, M. Victoria; Bernido, Christopher C.

    2017-08-01

    We investigate the dynamics of a passive probe particle in a bath of active granular chains (AGC). The bath and the probe are enclosed in an experimental compartment with a sinusoidal boundary to prevent AGC congestion along the boundary while connected to an electrodynamic shaker. Single AGC trajectory analysis reveals a persistent type of motion compared to a purely Brownian motion as seen in its mean squared displacement (MSD). It was found that at small concentration, Φ ≤ 0.44, the MSD exhibits two dynamical regimes characterized by two different scaling exponents. For small time scales, the dynamics is superdiffusive (1.32-1.63) with the MSD scaling exponent increasing monotonically with increasing AGC concentration. On the other hand, at long time, we recover the Brownian dynamics regime, MSD = DΔt, where the mobility D ∝ Φ. We quantify the probe dynamics at short time scale by modeling it as a fractional Brownian motion. The analytical form of the MSD agrees with experimental results.

  1. Analytic solution for one-dimensional diffusion of radionuclides from a waste package

    International Nuclear Information System (INIS)

    Oliver, D.L.

    1985-01-01

    This work implements an analytical solution for diffusion of radionuclides from a cylindrical waste form through the packing material into the surrounding host rock. Recent interest in predicting the performance of a proposed geological repository for nuclear waste has led to the development of several computer programs to predict the performance of such a repository for the next several millenia. These numerical codes are generally designed to accommodate a broad spectrum of geometrical configurations and repository conditions in order to accurately predict the behavior of the radionuclides in the repository environment. Confidence in such general purpose codes is gained by verifying the numerical modeling and the software through comparison of the numerical predictions generated by these computer codes with analytical solutions to reasonably complex problems. The analysis discussed herein implements the analytic solution, proposed by J.C. Jaeger in 1941 for radial diffusion through two concentric circular cylinders. Jaeger's solution was applied to the problem of diffusional mass transfer from a long cylindrical waste form and subsequently into the surrounding geological formation. Analytic predictions of fractional release rates, including the effects of sorption, were generated

  2. An analytic solution for one-dimensional diffusion of radionuclides from a waste package

    International Nuclear Information System (INIS)

    1985-01-01

    This work implements an analytical solution for diffusion of radionuclides from a cylindrical waste form through the packing material into the surrounding host rock. Recent interest in predicting the performance of a proposed geological repository for nuclear waste has led to the development of several computer programs to predict the performance of such a repository for the next several millenia. These numerical codes are generally designed to accommodate a broad spectrum of geometrical configurations and repository conditions in order to accurately predict the behavior of the radionuclides in the repository environment. Confidence in such general purpose codes is gained by verifying the numerical modeling and the software through comparison of the numerical predictions generated by these computer codes with analytical solutions to reasonably complex problems. The analysis discussed herein implements the analytic solution, proposed by J.C. Jaeger in 1941 for radial diffusion through two concentric circular cylinders. Jaeger's solution was applied to the problem of diffusional mass transfer from a long cylindrical waste form and subsequently into the surrounding geological formation. Analytic predictions of fractional release rates, including the effects of sorption, were generated. 6 refs., 2 figs., 2 tabs

  3. Thermal expansion and thermal diffusivity properties of Co-Si solid solutions and intermetallic compounds

    International Nuclear Information System (INIS)

    Ruan, Ying; Li, Liuhui; Gu, Qianqian; Zhou, Kai; Yan, Na; Wei, Bingbo

    2016-01-01

    Highlights: • Length change difference between rapidly and slowly solidified Co-Si alloy occurs at high temperature. • Generally CTE increases with an increasing Si content. • The thermal diffusion abilities are CoSi 2 > Co 95 Si 5 > Co 90 Si 10 > Co 2 Si > CoSi if T exceeds 565 K. • All the CTE and thermal diffusivity variations with T satisfy linear or polynomial relations. - Abstract: The thermal expansion of Co-Si solid solutions and intermetallic compounds was measured via dilatometric method, compared with the results of first-principles calculations, and their thermal diffusivities were investigated using laser flash method. The length changes of rapidly solidified Co-Si alloys are larger than those of slowly solidified alloys when temperature increases to around 1000 K due to the more competitive atom motion. The coefficient of thermal expansion (α) of Co-Si alloy increases with an increasing Si content, except that the coefficient of thermal expansion of Co 95 Si 5 influenced by both metastable structure and allotropic transformation is lower than that of Co 90 Si 10 at a higher temperature. The thermal expansion abilities of Co-Si intermetallic compounds satisfy the relationship of Co 2 Si > CoSi > CoSi 2 , and the differences of the coefficients of thermal expansion between them increase with the rise of temperature. The thermal diffusivity of CoSi 2 is evidently larger than the values of other Co-Si alloys. If temperature exceeds 565 K, their thermal diffusion abilities are CoSi 2 > Co 95 Si 5 > Co 90 Si 10 > Co 2 Si > CoSi. All the coefficient of thermal expansion and thermal diffusivity variations with temperature satisfy linear or polynomial relations.

  4. Higher-order Solution of Stochastic Diffusion equation with Nonlinear Losses Using WHEP technique

    KAUST Repository

    El-Beltagy, Mohamed A.; Al-Mulla, Noah

    2014-01-01

    Using Wiener-Hermite expansion with perturbation (WHEP) technique in the solution of the stochastic partial differential equations (SPDEs) has the advantage of converting the problem to a system of deterministic equations that can be solved efficiently using the standard deterministic numerical methods [1]. The Wiener-Hermite expansion is the only known expansion that handles the white/colored noise exactly. The main statistics, such as the mean, covariance, and higher order statistical moments, can be calculated by simple formulae involving only the deterministic Wiener-Hermite coefficients. In this poster, the WHEP technique is used to solve the 2D diffusion equation with nonlinear losses and excited with white noise. The solution will be obtained numerically and will be validated and compared with the analytical solution that can be obtained from any symbolic mathematics package such as Mathematica.

  5. Higher-order Solution of Stochastic Diffusion equation with Nonlinear Losses Using WHEP technique

    KAUST Repository

    El-Beltagy, Mohamed A.

    2014-01-06

    Using Wiener-Hermite expansion with perturbation (WHEP) technique in the solution of the stochastic partial differential equations (SPDEs) has the advantage of converting the problem to a system of deterministic equations that can be solved efficiently using the standard deterministic numerical methods [1]. The Wiener-Hermite expansion is the only known expansion that handles the white/colored noise exactly. The main statistics, such as the mean, covariance, and higher order statistical moments, can be calculated by simple formulae involving only the deterministic Wiener-Hermite coefficients. In this poster, the WHEP technique is used to solve the 2D diffusion equation with nonlinear losses and excited with white noise. The solution will be obtained numerically and will be validated and compared with the analytical solution that can be obtained from any symbolic mathematics package such as Mathematica.

  6. Solutions of diffusion equations in two-dimensional cylindrical geometry by series expansions

    International Nuclear Information System (INIS)

    Ohtani, Nobuo

    1976-01-01

    A solution of the multi-group multi-regional diffusion equation in two-dimensional cylindrical (rho-z) geometry is obtained in the form of a regionwise double series composed of Bessel and trigonometrical functions. The diffusion equation is multiplied by weighting functions, which satisfy the homogeneous part of the diffusion equation, and the products are integrated over the region for obtaining the equations to determine the fluxes and their normal derivatives at the region boundaries. Multiplying the diffusion equation by each function of the set used for the flux expansion, then integrating the products, the coefficients of the double series of the flux inside each region are calculated using the boundary values obtained above. Since the convergence of the series thus obtained is slow especially near the region boundaries, a method for improving the convergence has been developed. The double series of the flux is separated into two parts. The normal derivative at the region boundary of the first part is zero, and that of the second part takes the value which is obtained in the first stage of this method. The second part is replaced by a continuous function, and the flux is represented by the sum of the continuous function and the double series. A sample critical problem of a two-group two-region system is numerically studied. The results show that the present method yields very accurately the flux integrals in each region with only a small number of expansion terms. (auth.)

  7. Fast solution of neutron diffusion problem by reduced basis finite element method

    International Nuclear Information System (INIS)

    Chunyu, Zhang; Gong, Chen

    2018-01-01

    Highlights: •An extremely efficient method is proposed to solve the neutron diffusion equation with varying the cross sections. •Three orders of speedup is achieved for IAEA benchmark problems. •The method may open a new possibility of efficient high-fidelity modeling of large scale problems in nuclear engineering. -- Abstract: For the important applications which need carry out many times of neutron diffusion calculations such as the fuel depletion analysis and the neutronics-thermohydraulics coupling analysis, fast and accurate solutions of the neutron diffusion equation are demanding but necessary. In the present work, the certified reduced basis finite element method is proposed and implemented to solve the generalized eigenvalue problems of neutron diffusion with variable cross sections. The order reduced model is built upon high-fidelity finite element approximations during the offline stage. During the online stage, both the k eff and the spatical distribution of neutron flux can be obtained very efficiently for any given set of cross sections. Numerical tests show that a speedup of around 1100 is achieved for the IAEA two-dimensional PWR benchmark problem and a speedup of around 3400 is achieved for the three-dimensional counterpart with the fission cross-sections, the absorption cross-sections and the scattering cross-sections treated as parameters.

  8. Activation energy of tracer-diffusion of manganese ions (Mn2+) in alkali metal chloride solutions

    International Nuclear Information System (INIS)

    Borhade, A.V.

    2000-01-01

    The activation energy of the tracer diffusion of Mn 2+ ions in alkali chloride solutions (0.1M) has been determined in agar gel medium (1-2.5%) over the temperature range of 25 - 45 deg C. The decrease in the value of the Arrhenius parameters, E and D 0 , with gel percentage is explained on the basis of the transition state theory. Further, the activation energy as a function of electrolyte concentration is also investigated using 1% agar gel in the temperature range of 25 - 45 deg C. In both the cases, the activation energies are determined by the least square fitting of the diffusion coefficient data obtained at various temperatures through the Arrhenius plots. (author)

  9. Determination of the Solute Diffusion Coefficient by the Droplet Migration Method

    Energy Technology Data Exchange (ETDEWEB)

    Shan Liu; Jing Teng; Jeongyun Choi

    2007-07-01

    Further analysis of droplet migration in a temperature gradient field indicates that different terms can be used to evaluate the solute diffusion coefficient in liquid (D{sub L}) and that there exists a characteristic curve that can describe the motion of all the droplets for a given composition and temperature gradient. Critical experiments are subsequently conducted in succinonitrile (SCN)-salol and SCN-camphor transparent alloys in order to observe dynamic migration processes of a number of droplets. The derived diffusion coefficients from different terms are the same within experimental error. For SCN-salol alloys, D{sub L} = (0.69 {+-} 0.05) x 10{sup -3} mm{sup 2}/s, and for SCN-camphor alloys, D{sub L} = (0.24 {+-} 0.02) x 10{sup -3} mm{sup 2}/s.

  10. Atom probe field ion microscope study of the range and diffusivity of helium in tungsten

    International Nuclear Information System (INIS)

    Wagner, A.

    1978-08-01

    A time-of-flight (TOF) atom-probe field-ion microscope (FIM) specifically designed for the study of defects in metals is described. With this automated system 600 TOF min -1 can be recorded and analyzed. Performance tests of the instrument demonstrated that (1) the seven isotopes of molybdenum and the five isotopes of tungsten can be clearly resolved; and (2) the concentration and spatial distribution of all constitutents present at levels greater than 0.05 at. % in a W--25 at. % Re, Mo--1.0 at. % Ti, Mo--1.0 at. % Ti--0.08 at. % Zr (TZM), a low swelling stainless steel (LS1A) and a metallic glass (Metglas 2826) can be measured. The effect of the rate of field evaporation on the quantitative atom probe analysis of a Mo--1.0 at. % Ti alloy and a Mo--1.0 at. % Ti--0.08 at. % Zr alloy was investigated. As the field evaporation rate increased the measured Ti concentration was found to also increase. A simple qualitative model was proposed to explain the observation. The spatial distribution of titanium in a fast neutron irradiated Mo--1.0 at. % Ti alloy has been investigated. No evidence of Ti segregation to the voids was detected nor has any evidence of significant resolution of Ti from the TiC precipitates been detected. A small amount of segregation of carbon to a void was detected

  11. Convergence to equilibrium of renormalised solutions to nonlinear chemical reaction–diffusion systems

    Science.gov (United States)

    Fellner, Klemens; Tang, Bao Quoc

    2018-06-01

    The convergence to equilibrium for renormalised solutions to nonlinear reaction-diffusion systems is studied. The considered reaction-diffusion systems arise from chemical reaction networks with mass action kinetics and satisfy the complex balanced condition. By applying the so-called entropy method, we show that if the system does not have boundary equilibria, i.e. equilibrium states lying on the boundary of R_+^N, then any renormalised solution converges exponentially to the complex balanced equilibrium with a rate, which can be computed explicitly up to a finite-dimensional inequality. This inequality is proven via a contradiction argument and thus not explicitly. An explicit method of proof, however, is provided for a specific application modelling a reversible enzyme reaction by exploiting the specific structure of the conservation laws. Our approach is also useful to study the trend to equilibrium for systems possessing boundary equilibria. More precisely, to show the convergence to equilibrium for systems with boundary equilibria, we establish a sufficient condition in terms of a modified finite-dimensional inequality along trajectories of the system. By assuming this condition, which roughly means that the system produces too much entropy to stay close to a boundary equilibrium for infinite time, the entropy method shows exponential convergence to equilibrium for renormalised solutions to complex balanced systems with boundary equilibria.

  12. Single molecule diffusion and the solution of the spherically symmetric residence time equation.

    Science.gov (United States)

    Agmon, Noam

    2011-06-16

    The residence time of a single dye molecule diffusing within a laser spot is propotional to the total number of photons emitted by it. With this application in mind, we solve the spherically symmetric "residence time equation" (RTE) to obtain the solution for the Laplace transform of the mean residence time (MRT) within a d-dimensional ball, as a function of the initial location of the particle and the observation time. The solutions for initial conditions of potential experimental interest, starting in the center, on the surface or uniformly within the ball, are explicitly presented. Special cases for dimensions 1, 2, and 3 are obtained, which can be Laplace inverted analytically for d = 1 and 3. In addition, the analytic short- and long-time asymptotic behaviors of the MRT are derived and compared with the exact solutions for d = 1, 2, and 3. As a demonstration of the simplification afforded by the RTE, the Appendix obtains the residence time distribution by solving the Feynman-Kac equation, from which the MRT is obtained by differentiation. Single-molecule diffusion experiments could be devised to test the results for the MRT presented in this work. © 2011 American Chemical Society

  13. Diffusion of inorganic ion aqueous solution into hydrophilic polymer fiber and molecular orientation

    International Nuclear Information System (INIS)

    Kawaguchi, Akio

    2001-01-01

    The adsorption process of iodine to nylon 6 (polyamide-6), as well as deiodination process, has been an issue of controversy in the past half century from the view points related to the conversion of hydrogen bonding (α phase vs. γ phase). In the researches since late '80s, it has been revealed that the adsorption or inclusion of iodine to polyamides causes formations of various kind of structures to be called complexes whether they are crystalline or amorphous, and the formation of complex is reflected on the physical properties (especially on adsorption and ion mobility). Among them, it has been reported about both the doubly-oriented samples and the non-oriented samples that the ion diffusion causes molecular chain orientation during the complex formation. In the present experiment the change of molecular orientation in the early stage of the complex formation is studied by the time-resolved measurement with synchrotron radiation facility at SPring-8. Through-view and edge-view diffraction patterns of doubly oriented nylon 6 and non-oriented one were measured at 0.1 nm wavelength introducing I2-KI aqueous solution. It is observed that the formation of complex (i.e. diffusion of polyiodine) is attained in about 0.3 to 0.4 sec. even in non-oriented sample. From the analysis of the diffraction behavior, it is summarized that the inclusion of iodine into the crystalline phase of nylon 6 is possible from either sides of the molecular directions, namely normal diffusion and parallel diffusion. It is concluded that the diffusion and adsorption of inorganic ions including polyiodine to polyamide causes not only the formation of complexes in the crystalline phase but also give motive force to change structure in the surrounding non-crystalline region. (S. Funahashi)

  14. FLUORESCENCE PROBING OF THE FORMATION OF HYDROPHOBIC MICRODOMAINS BY CROSS-LINKED POLY(ALKYLMETHYLDIALLYLAMMONIUM BROMIDES) IN AQUEOUS-SOLUTION

    NARCIS (Netherlands)

    WANG, GJ; ENGBERTS, J B F N

    Pyrene has been used as a fluorescence probe to investigate the conformational behavior of cross-linked poly(alkylmethyldiallylammonium bromides) in aqueous solutions. Binding of pyrene to hydrophobic microdomains, formed by the polysoaps, is reflected by a change in the ratio I-1/I-3 of the

  15. Verification of a dust transport model against theoretical solutions in multidimensional advection diffusion problems

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Z., E-mail: zhanjie.xu@kit.ed [Forschungszentrum Karlsruhe, P.O. Box 3640, 76021 Karlsruhe (Germany); Travis, J.R. [Ingenieurbuero DuBois-Pitzer-Travis, 63071 Offenbach (Germany); Breitung, W.; Jordan, T. [Forschungszentrum Karlsruhe, P.O. Box 3640, 76021 Karlsruhe (Germany)

    2010-12-15

    Potentially explosive dust aerosol mobilization in the vacuum vessel is an important safety issue of the ITER facility, especially in scenarios of loss of vacuum accidents. Therefore dust mobilization modeling is ongoing in Research Center Karlsuhe. At first the aerosol particle model in the GASFLOW computer code is introduced briefly. To verify the particle model, a series of particle diffusion problems are simulated in one-, two- and three-dimensions. In each problem a particle source is initially exposed to an advective gas flow. Then a dust cloud is formed in the down stream. To obtain the theoretical solution about the particle concentration in the dust cloud, the governing diffusion partial differential equations with an additional advection term are solved by using Green's function method. Different spatial and temporal characters about the particle sources are also considered, e.g., instantaneous or continuous sources, line, or volume sources and so forth. The GASFLOW simulation results about the particle concentrations and the corresponding Green's function solutions are compared case by case. Very good agreements are found between the theoretical solutions and the GASGLOW simulations, when the drag force between the micron-sized particles and the conveying gas flow meets the Stokes' law about resistance. This situation is corresponding to a very small Reynolds number based on the particle diameter, with a negligible inertia effect of the particles. This verification work shows that the particle model of the GASFLOW code can reproduce numerically particle transport and diffusion in a good way.

  16. Quantitative assessment of diffuse optical tomography sensitivity to the cerebral cortex using a whole-head probe

    International Nuclear Information System (INIS)

    Perdue, Katherine L; Diamond, Solomon G; Fang Qianqian

    2012-01-01

    We quantify the variability in diffuse optical tomography (DOT) sensitivity over the cortical surface in eight young adult subjects. We use the 10/5 electroencephalography system as a basis for our whole-head optical high-density probe design. The contrast-to-noise ratio (CNR) is calculated along with the percentage of the cortex that is above a CNR = 0 dB threshold. We also quantify the effect of including vasculature on the forward model and list our assumptions that allow us to estimate light penetration depth in the head. We show that using the 10/5 system for the optical probe design allows for the measurement of 37% of the cortical surface on average, with a mean CNR in the visible region of 5.5 dB. Certain anatomical regions, such as the lateral occipital cortex, had a very high percentage above the CNR threshold, while other regions such as the cingulate cortex were not measurable. Vasculature blocked optical sensitivity over 1% of the cortex. Cortical coverage was positively correlated with intracranial volume and relative cerebrospinal fluid volume, and negatively correlated with relative scalp volume and skull volume. These contributions allow experimenters to understand how anatomical variation in a subject population may impact DOT or functional near-infrared spectroscopy measurements. (paper)

  17. The numerical analysis of eigenvalue problem solutions in the multigroup neutron diffusion theory

    International Nuclear Information System (INIS)

    Woznicki, Z.I.

    1994-01-01

    The main goal of this paper is to present a general iteration strategy for solving the discrete form of multidimensional neutron diffusion equations equivalent mathematically to an eigenvalue problem. Usually a solution method is based on different levels of iterations. The presented matrix formalism allows us to visualize explicitly how the used matrix splitting influences the matrix structure in an eigenvalue problem to be solved as well as the interdependence between inner and outer iteration within global iterations. Particular interactive strategies are illustrated by numerical results obtained for several reactor problems. (author). 21 refs, 32 figs, 15 tabs

  18. The numerical analysis of eigenvalue problem solutions in the multigroup diffusion theory

    International Nuclear Information System (INIS)

    Woznick, Z.I.

    1994-01-01

    In this paper a general iteration strategy for solving the discrete form of multidimensional neutron diffusion equations is described. Usually the solution method is based on the system of inner and outer iterations. The presented matrix formalism allows us to visualize clearly, how the used matrix splitting influences the structure of the matrix in an eigenvalue problem to be solved as well as the independence between inner and outer iterations within global iterations. To keep the page limit, the present version of the paper consists only with first three of five sections given in the original paper under the same title (which will be published soon). (author). 13 refs

  19. The numerical analysis of eigenvalue problem solutions in the multigroup neutron diffusion theory

    Energy Technology Data Exchange (ETDEWEB)

    Woznicki, Z I [Institute of Atomic Energy, Otwock-Swierk (Poland)

    1994-12-31

    The main goal of this paper is to present a general iteration strategy for solving the discrete form of multidimensional neutron diffusion equations equivalent mathematically to an eigenvalue problem. Usually a solution method is based on different levels of iterations. The presented matrix formalism allows us to visualize explicitly how the used matrix splitting influences the matrix structure in an eigenvalue problem to be solved as well as the interdependence between inner and outer iteration within global iterations. Particular interactive strategies are illustrated by numerical results obtained for several reactor problems. (author). 21 refs, 32 figs, 15 tabs.

  20. The numerical analysis of eigenvalue problem solutions in multigroup neutron diffusion theory

    International Nuclear Information System (INIS)

    Woznicki, Z.I.

    1995-01-01

    The main goal of this paper is to present a general iteration strategy for solving the discrete form of multidimensional neutron diffusion equations equivalent mathematically to an eigenvalue problem. Usually a solution method is based on different levels of iterations. The presented matrix formalism allows us to visualize explicitly how the used matrix splitting influences the matrix structure in an eigenvalue problem to be solved as well as the interdependence between inner and outer iterations within global iterations. Particular iterative strategies are illustrated by numerical results obtained for several reactor problems. (author). 21 refs, 35 figs, 16 tabs

  1. Numerical solution of the unsteady diffusion-convection-reaction equation based on improved spectral Galerkin method

    Science.gov (United States)

    Zhong, Jiaqi; Zeng, Cheng; Yuan, Yupeng; Zhang, Yuzhe; Zhang, Ye

    2018-04-01

    The aim of this paper is to present an explicit numerical algorithm based on improved spectral Galerkin method for solving the unsteady diffusion-convection-reaction equation. The principal characteristics of this approach give the explicit eigenvalues and eigenvectors based on the time-space separation method and boundary condition analysis. With the help of Fourier series and Galerkin truncation, we can obtain the finite-dimensional ordinary differential equations which facilitate the system analysis and controller design. By comparing with the finite element method, the numerical solutions are demonstrated via two examples. It is shown that the proposed method is effective.

  2. Applicability of the Galerkin method to the approximate solution of the multigroup diffusion equation

    International Nuclear Information System (INIS)

    Obradovic, D.

    1970-04-01

    In the study of the nuclear reactors space-time behaviour the modal analysis is very often used though some basic mathematical problems connected with application of this methods are still unsolved. In this paper the modal analysis is identified as a set of the methods in the mathematical literature known as the Galerkin methods (or projection methods, or sometimes direct methods). Using the results of the mathematical investigations of these methods the applicability of the Galerkin type methods to the calculations of the eigenvalue and eigenvectors of the stationary and non-stationary diffusion operator, as well as for the solutions of the corresponding functional equations, is established (author)

  3. Direct protein quantification in complex sample solutions by surface-engineered nanorod probes

    KAUST Repository

    Schrittwieser, Stefan

    2017-06-30

    Detecting biomarkers from complex sample solutions is the key objective of molecular diagnostics. Being able to do so in a simple approach that does not require laborious sample preparation, sophisticated equipment and trained staff is vital for point-of-care applications. Here, we report on the specific detection of the breast cancer biomarker sHER2 directly from serum and saliva samples by a nanorod-based homogeneous biosensing approach, which is easy to operate as it only requires mixing of the samples with the nanorod probes. By careful nanorod surface engineering and homogeneous assay design, we demonstrate that the formation of a protein corona around the nanoparticles does not limit the applicability of our detection method, but on the contrary enables us to conduct in-situ reference measurements, thus further strengthening the point-of-care applicability of our method. Making use of sandwich assays on top of the nanorods, we obtain a limit of detection of 110 pM and 470 pM in 10-fold diluted spiked saliva and serum samples, respectively. In conclusion, our results open up numerous applications in direct protein biomarker quantification, specifically in point-of-care settings where resources are limited and ease-of-use is of essence.

  4. Direct protein quantification in complex sample solutions by surface-engineered nanorod probes

    KAUST Repository

    Schrittwieser, Stefan; Pelaz, Beatriz; Parak, Wolfgang J.; Lentijo Mozo, Sergio; Soulantica, Katerina; Dieckhoff, Jan; Ludwig, Frank; Schotter, Joerg

    2017-01-01

    Detecting biomarkers from complex sample solutions is the key objective of molecular diagnostics. Being able to do so in a simple approach that does not require laborious sample preparation, sophisticated equipment and trained staff is vital for point-of-care applications. Here, we report on the specific detection of the breast cancer biomarker sHER2 directly from serum and saliva samples by a nanorod-based homogeneous biosensing approach, which is easy to operate as it only requires mixing of the samples with the nanorod probes. By careful nanorod surface engineering and homogeneous assay design, we demonstrate that the formation of a protein corona around the nanoparticles does not limit the applicability of our detection method, but on the contrary enables us to conduct in-situ reference measurements, thus further strengthening the point-of-care applicability of our method. Making use of sandwich assays on top of the nanorods, we obtain a limit of detection of 110 pM and 470 pM in 10-fold diluted spiked saliva and serum samples, respectively. In conclusion, our results open up numerous applications in direct protein biomarker quantification, specifically in point-of-care settings where resources are limited and ease-of-use is of essence.

  5. On the exact solution for the multi-group kinetic neutron diffusion equation in a rectangle

    International Nuclear Information System (INIS)

    Petersen, C.Z.; Vilhena, M.T.M.B. de; Bodmann, B.E.J.

    2011-01-01

    In this work we consider the two-group bi-dimensional kinetic neutron diffusion equation. The solution procedure formalism is general with respect to the number of energy groups, neutron precursor families and regions with different chemical compositions. The fast and thermal flux and the delayed neutron precursor yields are expanded in a truncated double series in terms of eigenfunctions that, upon insertion into the kinetic equation and upon taking moments, results in a first order linear differential matrix equation with source terms. We split the matrix appearing in the transformed problem into a sum of a diagonal matrix plus the matrix containing the remaining terms and recast the transformed problem into a form that can be solved in the spirit of Adomian's recursive decomposition formalism. Convergence of the solution is guaranteed by the Cardinal Interpolation Theorem. We give numerical simulations and comparisons with available results in the literature. (author)

  6. PROBING THE LOCAL BUBBLE WITH DIFFUSE INTERSTELLAR BANDS. III. THE NORTHERN HEMISPHERE DATA AND CATALOG

    Energy Technology Data Exchange (ETDEWEB)

    Farhang, Amin; Khosroshahi, Habib G.; Javadi, Atefeh [School of Astronomy, Institute for Research in Fundamental Sciences (IPM), P.O. Box 19395-5746, Tehran (Iran, Islamic Republic of); Van Loon, Jacco Th., E-mail: a.farhang@ipm.ir [Astrophysics Group, Lennard-Jones Laboratories, Keele University, Staffordshire ST5 5BG (United Kingdom)

    2015-02-01

    We present new high signal-to-noise ratio (S/N) observations of the diffuse interstellar bands (DIBs) in the Local Bubble and its surroundings. We observed 432 sightlines and obtain the equivalent widths of the λ5780 and λ5797 Å DIBs up to a distance of ∼200 pc. All of the observations were carried out using the Intermediate Dispersion Spectrograph on the 2.5 m Isaac Newton Telescope, during three years, to reach a minimum S/N of ∼2000. All of the λ5780 and λ5797 absorptions are presented in this paper and we tabulate the observed values of the interstellar parameters, λ5780, λ5797, Na ID{sub 1}, and Na ID{sub 2}, including the uncertainties.

  7. PROBING THE LOCAL BUBBLE WITH DIFFUSE INTERSTELLAR BANDS. III. THE NORTHERN HEMISPHERE DATA AND CATALOG

    International Nuclear Information System (INIS)

    Farhang, Amin; Khosroshahi, Habib G.; Javadi, Atefeh; Van Loon, Jacco Th.

    2015-01-01

    We present new high signal-to-noise ratio (S/N) observations of the diffuse interstellar bands (DIBs) in the Local Bubble and its surroundings. We observed 432 sightlines and obtain the equivalent widths of the λ5780 and λ5797 Å DIBs up to a distance of ∼200 pc. All of the observations were carried out using the Intermediate Dispersion Spectrograph on the 2.5 m Isaac Newton Telescope, during three years, to reach a minimum S/N of ∼2000. All of the λ5780 and λ5797 absorptions are presented in this paper and we tabulate the observed values of the interstellar parameters, λ5780, λ5797, Na ID 1 , and Na ID 2 , including the uncertainties

  8. Probing the Local Bubble with Diffuse Interstellar Bands. III. The Northern Hemisphere Data and Catalog

    Science.gov (United States)

    Farhang, Amin; Khosroshahi, Habib G.; Javadi, Atefeh; van Loon, Jacco Th.

    2015-02-01

    We present new high signal-to-noise ratio (S/N) observations of the diffuse interstellar bands (DIBs) in the Local Bubble and its surroundings. We observed 432 sightlines and obtain the equivalent widths of the λ5780 and λ5797 Å DIBs up to a distance of ~200 pc. All of the observations were carried out using the Intermediate Dispersion Spectrograph on the 2.5 m Isaac Newton Telescope, during three years, to reach a minimum S/N of ~2000. All of the λ5780 and λ5797 absorptions are presented in this paper and we tabulate the observed values of the interstellar parameters, λ5780, λ5797, Na ID1, and Na ID2, including the uncertainties.

  9. Dynamic and structural characterisation of micellar solutions of surfactants by spin relaxation and translational diffusion

    International Nuclear Information System (INIS)

    Mahieu, Nathalie

    1992-01-01

    The work reported in this research thesis aimed at characterizing micellar phases formed by some surfactants (sodium carboxylates) in aqueous solution. After some recalls on nuclear magnetic resonance dealing with spin relaxation (longitudinal relaxation, transverse relaxation, relaxation in the rotating coordinate system, and crossed relaxation), and comments on the dipolar mechanism responsible of relaxation phenomena, the author presents the methods used for relaxation parameter measurement and the data processing software issued from experiments. He presents experiments which allowed the self-diffusion coefficient to be measured, reports data processing, and addresses problems of special diffusion and of coherence transfers during diffusion measurements. Results of proton relaxation measurements are then presented and discussed. They are used to determine the micellar state of the studied carboxylates. The case of the oleate is also addressed. Measurements of carbon-13 relaxation times are reported, and exploited in terms of structural parameters by using the Relaxator software. An original method of the hetero-nuclear Overhauser method is presented, and used to assess the average distance between water molecules and micelle surface [fr

  10. Electronically tuned sulfonamide-based probes with ultra-sensitivity for Ga"3"+ or Al"3"+ detection in aqueous solution

    International Nuclear Information System (INIS)

    Kumar, Ashwani; Chae, Pil Seok

    2017-01-01

    Three electronically tuned fluorescent probes (1–3) were synthesized by conjugating a fluorescent unit to N,N-bis-(hydroxyethyl)ethylenediamine. Probe 1 bearing an electron-deficient naphthalenedimide unit did not give a fluorescence response to the presence of various metal ions including monovalent metal ions (Na"+, K"+, and Ag"+), divalent metal ions (Ca"2"+, Cd"2"+, Co"2"+, Ni"2"+, Cu"2"+, Hg"2"+, Pb"2"+, and Zn"2"+) and trivalent metal ions (Al"3"+, Ga"3"+, Fe"3"+, and Cr"3"+) in an aqueous solution. By contrast, probes 2 and 3 possessing 1,8-naphthalimide and pyrene fluorophores, respectively, exhibited selective fluorescent “OFF-ON” behaviors as a result of Ga"3"+/Al"3"+ binding among the diverse metal ions, suggesting the importance of fluorophore electronic character with regard to metal ion sensing. The ethylenediamine analog of probe 3, corresponding to probe 4, was unable to yield a significant change in fluorescence intensity in the presence of any metal ions tested here, revealing the essential role of two hydroxyl groups for metal ion binding. A high association constant of K_a = 2.99 × 10"5 M"−"1 was obtained for probe 3 with Ga"3"+, with a limit of detection (LOD) of 10 nM. This LOD is the lowest value known for Ga"3"+ detection using chemical sensors. Along with an increase in aggregate sizes, PET suppression of probes upon metal ion binding was the primary contributor to the enhancement in fluorescence emission necessary for the sensitive detection of the target ions. The probe-metal ion complexes were fully characterized via TEM, FE-SEM, "1H NMR, fluorescence spectroscopy techniques and DFT calculations. - Highlights: • Three electronically tuned sulfonamide-based probes (probes 1, 2, and 3) were developed for metal ion-sensing. • Probes 2 and 3 exhibited AIE behavior with increasing water-content. • Probes 2 and 3 displayed a selective fluorescence “OFF-ON“ behavior for Ga"3"+ detection with the LOD of 10 nM. • PET

  11. Diffusion Dominant Solute Transport Modelling in Fractured Media Under Deep Geological Environment - 12211

    Energy Technology Data Exchange (ETDEWEB)

    Kwong, S. [National Nuclear Laboratory (United Kingdom); Jivkov, A.P. [Research Centre for Radwaste and Decommissioning and Modelling and Simulation Centre, University of Manchester (United Kingdom)

    2012-07-01

    Deep geologic disposal of high activity and long-lived radioactive waste is gaining increasing support in many countries, where suitable low permeability geological formation in combination with engineered barriers are used to provide long term waste contaminant and minimise the impacts to the environment and risk to the biosphere. This modelling study examines the solute transport in fractured media under low flow velocities that are relevant to a deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes. The effects of water velocity in the fracture, matrix porosity and diffusion on solute transport are investigated and discussed. Some illustrative modelled results are presented to demonstrate the use of the model to examine the effects of media degradation on solute transport, under the influences of hydrogeological (diffusion dominant) and microbially mediated chemical processes. The challenges facing the prediction of long term degradation such as cracks evolution, interaction and coalescence are highlighted. The potential of a novel microstructure informed modelling approach to account for these effects is discussed, particularly with respect to investigating multiple phenomena impact on material performance. The GRM code is used to examine the effects of media degradation for a geological waste disposal package, under the combined hydrogeological (diffusion dominant) and chemical effects in low groundwater flow conditions that are typical of deep geological disposal systems. An illustrative reactive transport modelling application demonstrates the use of the code to examine the interplay of kinetic controlled biogeochemical reactive processes with advective and diffusive transport, under the influence of media degradation. The initial model results are encouraging which show the

  12. The structure and diffusion behaviour of the neurotransmitter γ-aminobutyric acid (GABA) in neutral aqueous solutions

    International Nuclear Information System (INIS)

    Rodrigo, M.M.; Esteso, M.A.; Barros, M.F.; Verissimo, L.M.P.; Romero, C.M.; Suarez, A.F.; Ramos, M.L.; Valente, A.J.M.; Burrows, H.D.; Ribeiro, A.C.F.

    2017-01-01

    Highlights: • Diffusion coefficients and densities of binary aqueous solutions of γ-aminobutyric acid (GABA). • Dependence on both shape and size of GABA on its diffusion. • Interactions intramolecular and the solute-water interactions in these systems. - Abstract: GABA (γ-aminobutyric acid) is a non-protein amino acid with important physiological properties, and with considerable relevance to the food and pharmaceutical industries. Particular interest has focused on its role as an inhibitory neurotransmitter in the mammalian cerebral cortex. In this paper, we report density and mutual diffusion coefficients of GABA in non-buffered aqueous solutions (0.001–0.100) mol·dm −3 at 298.15 K. Under these conditions, 1 H and 13 C NMR spectroscopy and pH measurements show that it is present predominantly as a monomeric zwitterionic species. Diffusion coefficients have been computed assuming that this behaves as the binary system GABA/water. From density and intermolecular diffusion coefficients measurements, the molar volume, hydrodynamic radii, R h , diffusion coefficients at infinitesimal concentration, D 0 , activity coefficients and the thermodynamic factors, F T , have been estimated. Within experimental error, the hydrodynamic volume calculated from this is identical to the molar volume obtained from density measurements. From the NMR spectra and literature data, it is suggested that this amino acid diffuses in aqueous solution as a curved, coil-like hydrated zwitterionic entity.

  13. Simulation of effects of redox and precipitation on diffusion of uranium solution species in backfill

    International Nuclear Information System (INIS)

    Carnahan, C.L.

    1987-12-01

    This investigation addresses the problem of prediction of the rate of migration of redox-sensitive solution species within packing and backfill materials under conditions of variable oxidation potential. Effects of changes of oxidation potential and precipitation of stable uranium compounds during diffusion of uranium from a region of high oxidation potential into a region of low oxidation potential were simulated numerically. Questions of particular interest addressed in the investigation were the existence of a moving ''redox front'' and the influence of precipitation-dissolution processes on uranium migration. The simulations showed that no expanding redox fronts existed at any simulated time up to 3.2 x 10 5 years (10 13 s). In simulations where precipitation of stable solids was not allowed, variations of oxidation potential did not affect total uranium concentrations in solution. Concentration profiles could be predicted simply by diffusion of the (constant) source concentrations. In simulations where precipitation of stable solids was allowed, uraninite and calcium uranate accumulated at the source-transport domain interface, while coffinite penetrated further into the transport domain. Total uranium concentrations in regions of precipitation were determined by solubilities of the precipitated solids, and were six to seven orders of magnitude lower than those in the simulations without precipitation, throughout the domain of transport. 14 refs., 7 figs., 2 tabs

  14. Synthesis and electroplating of high resolution insulated carbon nanotube scanning probes for imaging in liquid solutions.

    Science.gov (United States)

    Roberts, N A; Noh, J H; Lassiter, M G; Guo, S; Kalinin, S V; Rack, P D

    2012-04-13

    High resolution and isolated scanning probe microscopy (SPM) is in demand for continued development of energy storage and conversion systems involving chemical reactions at the nanoscale as well as an improved understanding of biological systems. Carbon nanotubes (CNTs) have large aspect ratios and, if leveraged properly, can be used to develop high resolution SPM probes. Isolation of SPM probes can be achieved by depositing a dielectric film and selectively etching at the apex of the probe. In this paper the fabrication of a high resolution and isolated SPM tip is demonstrated using electron beam induced etching of a dielectric film deposited onto an SPM tip with an attached CNT at the apex.

  15. The analytical benchmark solution of spatial diffusion kinetics in source driven systems for homogeneous media

    International Nuclear Information System (INIS)

    Oliveira, F.L. de; Maiorino, J.R.; Santos, R.S.

    2007-01-01

    This paper describes a closed form solution obtained by the expansion method for the general time dependent diffusion model with delayed emission for source transients in homogeneous media. In particular, starting from simple models, and increasing the complexity, numerical results were obtained for different types of source transients. Thus, first an analytical solution of the one group without precursors was solved, followed by considering one precursors family. The general case of G-groups with R families of precursor although having a closed form solution, cannot be solved analytically, since there are no explicit formulae for the eigenvalues, and numerical methods must be used to solve such problem. To illustrate the general solution, the multi-group (three groups) time-dependent without precursors was also solved and the results inter compared with results obtained by the previous one group models for a given fast homogeneous media, and different types of source transients. The results are being compared with the obtained by numerical methods. (author)

  16. The direct tensor solution and higher-order acquisition schemes for generalized diffusion tensor imaging

    NARCIS (Netherlands)

    Akkerman, Erik M.

    2010-01-01

    Both in diffusion tensor imaging (DTI) and in generalized diffusion tensor imaging (GDTI) the relation between the diffusion tensor and the measured apparent diffusion coefficients is given by a tensorial equation, which needs to be inverted in order to solve the diffusion tensor. The traditional

  17. Adaptive solution of the multigroup diffusion equation on irregular structured grids using a conforming finite element method formulation

    International Nuclear Information System (INIS)

    Ragusa, J. C.

    2004-01-01

    In this paper, a method for performing spatially adaptive computations in the framework of multigroup diffusion on 2-D and 3-D Cartesian grids is investigated. The numerical error, intrinsic to any computer simulation of physical phenomena, is monitored through an a posteriori error estimator. In a posteriori analysis, the computed solution itself is used to assess the accuracy. By efficiently estimating the spatial error, the entire computational process is controlled through successively adapted grids. Our analysis is based on a finite element solution of the diffusion equation. Bilinear test functions are used. The derived a posteriori error estimator is therefore based on the Hessian of the numerical solution. (authors)

  18. Probing the Local Bubble with diffuse interstellar bands. I. Project overview and southern hemisphere survey

    Science.gov (United States)

    Bailey, Mandy; van Loon, Jacco Th.; Farhang, Amin; Javadi, Atefeh; Khosroshahi, Habib G.; Sarre, Peter J.; Smith, Keith T.

    2016-01-01

    Context. The Sun traverses a low-density, hot entity called the Local Bubble. Despite its relevance to life on Earth, the conditions in the Local Bubble and its exact configuration are not very well known. Besides that, there is some unknown interstellar substance that causes a host of absorption bands across the optical spectrum, called diffuse interstellar bands (DIBs). Aims: We have started a project to chart the Local Bubble in a novel way and learn more about the carriers of the DIBs, by using DIBs as tracers of diffuse gas and environmental conditions. Methods: We conducted a high signal-to-noise spectroscopic survey of 670 nearby early-type stars to map DIB absorption in and around the Local Bubble. The project started with a southern hemisphere survey conducted at the European Southern Observatory's New Technology Telescope and has since been extended to an all-sky survey using the Isaac Newton Telescope. Results: In this first paper in the series, we introduce the overall project and present the results from the southern heiphere survey. We make aviable a catalogue of equivalent-width measurements of the DIBs at 5780, 5797, 5850, 6196, 6203, 6270, 6283, and 6614 Å, of the interstellar Na I D lines at 5890 and 5896 Å, and of the stellar He I line at 5876 Å. We find that the 5780 Å DIB is relatively strong throughout, as compared to the 5797 Å DIB, but especially within the Local Bubble and at the interface iwth a more neutral medium. The 6203 Å DIB shows similar behaviour with respect to the 6196 Å DIB. Some nearby stars show surprisingly strong DIBs, whereas some distant stars show very weak DIBs, indicating small-scale structure within, as well as outside, the Local Bubble. The sight lines with non-detections trace the extent of the Local Bubble especially clearly and show it opening out into the halo. Conclusions: The Local Bubble has a wall that is in contact with hot gas and/or a harsh interstellar radiation field. That wall is perforated

  19. Dansyl-8-aminoquinoline as a sensitive pH fluorescent probe with dual-responsive ranges in aqueous solutions.

    Science.gov (United States)

    Zhang, Min; Zheng, Shuyu; Ma, Liguo; Zhao, Meili; Deng, Lengfang; Yang, Liting; Ma, Li-Jun

    2014-04-24

    A sensitive pH fluorescent probe based on dansyl group, dansyl-8-aminoquinoline (DAQ), has been synthesized. The probe showed dual-responsive ranges to pH changes, one range from 2.00 to 7.95 and another one from 7.95 to 10.87 in aqueous solution, as it showed pKa values of 5.73 and 8.56 under acid and basic conditions, respectively. Furthermore, the pH response mechanism of the probe was explored successfully by using NMR spectra. The results indicated that the responses of DAQ to pH changes should attribute to the protonation of the nitrogen atom in the dimethylamino group and deprotonation of sulfonamide group. Copyright © 2014. Published by Elsevier B.V.

  20. Direct rotating ring-disk measurement of the sodium borohydride diffusion coefficient in sodium hydroxide solutions

    Energy Technology Data Exchange (ETDEWEB)

    Chatenet, M. [Laboratoire d' Electrochimie et de Physico-chimie des Materiaux et des Interfaces, LEPMI, UMR 5631 CNRS/Grenoble-INP/UJF, 1130 rue de la piscine, BP75, 38402 Saint Martin d' Heres Cedex (France)], E-mail: Marian.Chatenet@phelma.grenoble-inp.fr; Molina-Concha, M.B. [Laboratoire d' Electrochimie et de Physico-chimie des Materiaux et des Interfaces, LEPMI, UMR 5631 CNRS/Grenoble-INP/UJF, 1130 rue de la piscine, BP75, 38402 Saint Martin d' Heres Cedex (France); El-Kissi, N. [Laboratoire de Rheologie, UMR 5520 CNRS/Grenoble-INP/UJF, 1301 rue de la piscine, 38041 Grenoble Cedex 9 (France); Parrour, G.; Diard, J.-P. [Laboratoire d' Electrochimie et de Physico-chimie des Materiaux et des Interfaces, LEPMI, UMR 5631 CNRS/Grenoble-INP/UJF, 1130 rue de la piscine, BP75, 38402 Saint Martin d' Heres Cedex (France)

    2009-07-15

    This paper presents the experimental determination of the diffusion coefficient of borohydride anion and solution kinematic viscosity for a large panel of NaOH + NaBH{sub 4} electrolytic solutions relevant for use as anolyte in Direct Borohydride Fuel Cells (DBFC). The diffusion coefficients have been measured by the transit-time technique on gold rotating ring-disk electrodes, and verified using other classical techniques reported in the literature, namely the Levich method and Electrochemical Impedance Spectroscopy on a gold RDE, or chronoamperometry at a gold microdisk. The agreement between these methods is generally good. The diffusion coefficients measured from the RRDE technique are however ca. twice larger than those previously reported in the literature (e.g. ca. 3 x 10{sup -5} cm{sup 2} s{sup -1} in 1 M NaOH + 0.01 M NaBH{sub 4} at 25 deg. C in the present study vs. ca. 1.6 x 10{sup -5} cm{sup 2} s{sup -1} in 1 M NaOH + 0.02 M NaBH{sub 4} at 30 deg. C in the literature, as measured by chronoamperometry at a gold microsphere), which is thoroughly discussed. Our measurements using chronoamperometry at a gold microdisk showed that such technique can yield diffusion coefficient values below what expected. The origin of such finding is explained in the frame of the formation of both a film of boron-oxide(s) at the surface of the (static) gold microdisk and the generation of H{sub 2} bubbles at the electrode surface (as a result of the heterogeneous hydrolysis at Au), which alter the access to the electrode surface and thus prevents efficient measurements. Such film formation and H{sub 2} bubbles generation is not so much of an issue for rotating electrodes thanks to the convection of electrolyte which sweeps the electrode surface. In addition, should such film be present, the transit-time determination technique on a RRDE displays the advantage of not being very sensible to its presence: the parameter measured is the time taken by a perturbation generated the

  1. Direct rotating ring-disk measurement of the sodium borohydride diffusion coefficient in sodium hydroxide solutions

    International Nuclear Information System (INIS)

    Chatenet, M.; Molina-Concha, M.B.; El-Kissi, N.; Parrour, G.; Diard, J.-P.

    2009-01-01

    This paper presents the experimental determination of the diffusion coefficient of borohydride anion and solution kinematic viscosity for a large panel of NaOH + NaBH 4 electrolytic solutions relevant for use as anolyte in Direct Borohydride Fuel Cells (DBFC). The diffusion coefficients have been measured by the transit-time technique on gold rotating ring-disk electrodes, and verified using other classical techniques reported in the literature, namely the Levich method and Electrochemical Impedance Spectroscopy on a gold RDE, or chronoamperometry at a gold microdisk. The agreement between these methods is generally good. The diffusion coefficients measured from the RRDE technique are however ca. twice larger than those previously reported in the literature (e.g. ca. 3 x 10 -5 cm 2 s -1 in 1 M NaOH + 0.01 M NaBH 4 at 25 deg. C in the present study vs. ca. 1.6 x 10 -5 cm 2 s -1 in 1 M NaOH + 0.02 M NaBH 4 at 30 deg. C in the literature, as measured by chronoamperometry at a gold microsphere), which is thoroughly discussed. Our measurements using chronoamperometry at a gold microdisk showed that such technique can yield diffusion coefficient values below what expected. The origin of such finding is explained in the frame of the formation of both a film of boron-oxide(s) at the surface of the (static) gold microdisk and the generation of H 2 bubbles at the electrode surface (as a result of the heterogeneous hydrolysis at Au), which alter the access to the electrode surface and thus prevents efficient measurements. Such film formation and H 2 bubbles generation is not so much of an issue for rotating electrodes thanks to the convection of electrolyte which sweeps the electrode surface. In addition, should such film be present, the transit-time determination technique on a RRDE displays the advantage of not being very sensible to its presence: the parameter measured is the time taken by a perturbation generated the disk to reach the ring trough a distance several orders

  2. Investigation of the uranium-molybdenum diffusion in body centered {gamma} solid solutions; Etude de la diffusion uranium-molybdene dans la solution solide {gamma} cubique centree

    Energy Technology Data Exchange (ETDEWEB)

    Adda, Y; Mairy, C; Bouchet, P [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires; Philibert, J [IRSID, 78 - Saint-Germain-en-Laye (France)

    1958-07-01

    The body centered {gamma} phase uranium-molybdenum intermetallic diffusion has been studied by different technical methods: micrography, electronic microanalyser, microhardness. The values of several numbers of penetration coefficients are given, and their physical significations has been discussed. The diffusion coefficients, the frequency factor and activation energies has been determined for each concentration. After determination of the Kirkendall effect in this system, we calculated the intrinsic diffusion coefficient of uranium and molybdenum. (author) [French] La dilution intermetallique uranium-molybdene, en phase {gamma} cubique centree, a ete etudiee au moyen de differentes techniques: micrographie, microsonde electronique, microdurete. Les valeurs d'un certain nombre de coefficients de penetration sont donnees et leur signification physique discutee. Les coefficients de diffusion, les facteurs de frequence et les energies d'activation ont ete determines pour chaque concentration. Apres avoir mis en evidence un effet Kirkendall dans ce systeme, on a calcule les coefficients de diffusion intrinseques de l'uranium et du molybdene. (auteur)

  3. Impact of the solution ionic strength on strontium diffusion through the Callovo-Oxfordian clayrocks: An experimental and modeling study

    International Nuclear Information System (INIS)

    Savoye, S.; Beaucaire, C.; Grenut, B.; Fayette, A.

    2015-01-01

    Highlights: • HTO and 85 Sr diffusion is studied in clayrocks under increasing ionic strengths. • Sr diffusive flux is 5 times higher than HTO under standard porewater ionic strength. • Sr diffusive flux is reduced when the porewater ionic strength increases. • The Sr diffusive evolution is qualitatively reproduced by a surface diffusion model. - Abstract: Diffusion of cations in clayrocks is widely investigated, because deep clay-rich formations are currently considered as one of the potential host rocks for radioactive waste repositories. However, several authors have already reported that sorbing cations seem to diffuse at rates larger than those predicted by a simple pore diffusion model from their sorption coefficients and from the diffusive flux of non-sorbing water tracers. This process has been attributed to the migration of cations within the electrical double layer, next to the mineral surfaces, called the surface diffusion phenomenon. The aim of this work was to verify whether this “enhanced” cation diffusion compared to neutral species was observed for strontium and, if so, to what extent this effect might vary with the salinity of the synthetic solutions. These questions were addressed by performing batch sorption, through-diffusion and out-diffusion experiments on rock samples from the Callovo-Oxfordian claystone formation (France). The results showed that there was a good agreement of the distribution ratios (R D ) determined on crushed and intact rocks by batch and through-diffusion methods with a R D decrease related to the increase of the sodium concentration, a sorption competitor. Such a trend was also well reproduced by means of a geochemical modeling based on the multi-site ion exchange (MSIE) theory. Moreover, the “enhanced” diffusion for strontium was clearly observed in this study: the Sr diffusive flux was almost five times higher than that for HTO in the cell with the lowest ionic strength, and diminished to less than 1

  4. On the application of finite element method in the solution of steady state diffusion equation

    International Nuclear Information System (INIS)

    Ono, S.

    1982-01-01

    The solution of the steady state neutron diffusion equation is obtained by using the finite element method. Specifically the variational approach is used for one dimensional problems and the weighted residual method (Galerkin) for one and two dimensional problems. The spatial domain is divided into retangular elements and the neutron flux is approximated by linear (one dimensional case), and bilinear (two-dimensional case) functions. Numerical results are obtained with a FORTRAN IV computer program and compared with those obtained by the finite difference CITATION code. The results show that linear or bilinear functions, do not satisfactorily describe the differential parameters in highly heterogeneous reactor cases, but provide good results for integral parameters such as multiplication factor. (Author) [pt

  5. Solution verification, goal-oriented adaptive methods for stochastic advection–diffusion problems

    KAUST Repository

    Almeida, Regina C.

    2010-08-01

    A goal-oriented analysis of linear, stochastic advection-diffusion models is presented which provides both a method for solution verification as well as a basis for improving results through adaptation of both the mesh and the way random variables are approximated. A class of model problems with random coefficients and source terms is cast in a variational setting. Specific quantities of interest are specified which are also random variables. A stochastic adjoint problem associated with the quantities of interest is formulated and a posteriori error estimates are derived. These are used to guide an adaptive algorithm which adjusts the sparse probabilistic grid so as to control the approximation error. Numerical examples are given to demonstrate the methodology for a specific model problem. © 2010 Elsevier B.V.

  6. Solution of the Multigroup-Diffusion equation by the response matrix method

    International Nuclear Information System (INIS)

    Oliveira, C.R.E.

    1980-10-01

    A preliminary analysis of the response matrix method is made, considering its application to the solution of the multigroup diffusion equations. The one-dimensional formulation is presented and used to test some flux expansions, seeking the application of the method to the two-dimensional problem. This formulation also solves the equations that arise from the integro-differential synthesis algorithm. The slow convergence of the power method, used to solve the eigenvalue problem, and its acceleration by means of the Chebyshev polynomial method, are also studied. An algorithm for the estimation of the dominance ratio is presented, based on the residues of two successive iteration vectors. This ratio, which is not known a priori, is fundamental for the efficiency of the method. Some numerical problems are solved, testing the 1D formulation of the response matrix method, its application to the synthesis algorithm and also, at the same time, the algorithm to accelerate the source problem. (Author) [pt

  7. Existence of weak solutions to a nonlinear reaction-diffusion system with singular sources

    Directory of Open Access Journals (Sweden)

    Ida de Bonis

    2017-09-01

    Full Text Available We discuss the existence of a class of weak solutions to a nonlinear parabolic system of reaction-diffusion type endowed with singular production terms by reaction. The singularity is due to a potential occurrence of quenching localized to the domain boundary. The kind of quenching we have in mind is due to a twofold contribution: (i the choice of boundary conditions, modeling in our case the contact with an infinite reservoir filled with ready-to-react chemicals and (ii the use of a particular nonlinear, non-Lipschitz structure of the reaction kinetics. Our working techniques use fine energy estimates for approximating non-singular problems and uniform control on the set where singularities are localizing.

  8. Solution verification, goal-oriented adaptive methods for stochastic advection–diffusion problems

    KAUST Repository

    Almeida, Regina C.; Oden, J. Tinsley

    2010-01-01

    A goal-oriented analysis of linear, stochastic advection-diffusion models is presented which provides both a method for solution verification as well as a basis for improving results through adaptation of both the mesh and the way random variables are approximated. A class of model problems with random coefficients and source terms is cast in a variational setting. Specific quantities of interest are specified which are also random variables. A stochastic adjoint problem associated with the quantities of interest is formulated and a posteriori error estimates are derived. These are used to guide an adaptive algorithm which adjusts the sparse probabilistic grid so as to control the approximation error. Numerical examples are given to demonstrate the methodology for a specific model problem. © 2010 Elsevier B.V.

  9. OBTAINING OF PROTEIC BIOMASS BY CULTIVATION OF LACTIC ACID BACTERIA ON GRAPE MARC DIFFUSION SOLUTION

    Directory of Open Access Journals (Sweden)

    Marian BUTU

    2013-08-01

    Full Text Available In this article are presented the researches made in order to obtain protein biomass with the aid of lactic bacteria grown on an economically medium, achieved by using secondary products from the winery: marc and wine yeast. Therefore, there were cultivated two strains of Lactobacillus sp. on five different growth medium. The protein biosynthesis and evolution of lactic fermentation were monitored by determining the optical density (OD of the culture at a wavelength λ = 600 nm and by counting the colony forming units (CFU by serial dilutions and seeding on plates and by determination of lactic acid obtained. The results showed that the fermentation medium represented by diffusion solution of the marc, enriched with peptone is economically profitable compared to other culture media containing peptone, yeast extract, glucose, minerals, amino acids and vitamins presented in the literature.

  10. Exact solution of the nucleons diffusion equation with increase inelastic cross section

    International Nuclear Information System (INIS)

    Portella, H.M.

    1985-01-01

    The successive aproximations method is applied to obtain an exact and compact analytical solution of the differential equation wich describes the diffusion of nucleonic component in the atmosphere, when the inelastic cross section of the air interaction nucleon-nucleus increases with the energy. The result is compared with the experimental data wich have been obtained in Chacaltaya (x=540g/cm 2 ) by the Brazil - Japan cooperation using emulsion chambers. The value of the constant a measurement of the variation of the cross section with the energy, that makes the best adjustment of the result found out with the experimental data is between 0.05 and 0.06. (M.C.K.) [pt

  11. Association and Diffusion of Li(+) in Carboxymethylcellulose Solutions for Environmentally Friendly Li-ion Batteries.

    Science.gov (United States)

    Casalegno, Mosè; Castiglione, Franca; Passarello, Marco; Mele, Andrea; Passerini, Stefano; Raos, Guido

    2016-07-21

    Carboxymethylcellulose (CMC) has been proposed as a polymeric binder for electrodes in environmentally friendly Li-ion batteries. Its physical properties and interaction with Li(+) ions in water are interesting not only from the point of view of electrode preparation-processability in water is one of the main reasons for its environmental friendliness-but also for its possible application in aqueous Li-ion batteries. We combine molecular dynamics simulations and variable-time pulsed field gradient spin-echo (PFGSE) NMR spectroscopy to investigate Li(+) transport in CMC-based solutions. Both the simulations and experimental results show that, at concentrations at which Li-CMC has a gel-like consistency, the Li(+) diffusion coefficient is still very close to that in water. These Li(+) ions interact preferentially with the carboxylate groups of CMC, giving rise to a rich variety of coordination patterns. However, the diffusion of Li(+) in these systems is essentially unrestricted, with a fast, nanosecond-scale exchange of the ions between CMC and the aqueous environment. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Interstitial solute transport in 3D reconstructed neuropil occurs by diffusion rather than bulk flow.

    Science.gov (United States)

    Holter, Karl Erik; Kehlet, Benjamin; Devor, Anna; Sejnowski, Terrence J; Dale, Anders M; Omholt, Stig W; Ottersen, Ole Petter; Nagelhus, Erlend Arnulf; Mardal, Kent-André; Pettersen, Klas H

    2017-09-12

    The brain lacks lymph vessels and must rely on other mechanisms for clearance of waste products, including amyloid [Formula: see text] that may form pathological aggregates if not effectively cleared. It has been proposed that flow of interstitial fluid through the brain's interstitial space provides a mechanism for waste clearance. Here we compute the permeability and simulate pressure-mediated bulk flow through 3D electron microscope (EM) reconstructions of interstitial space. The space was divided into sheets (i.e., space between two parallel membranes) and tunnels (where three or more membranes meet). Simulation results indicate that even for larger extracellular volume fractions than what is reported for sleep and for geometries with a high tunnel volume fraction, the permeability was too low to allow for any substantial bulk flow at physiological hydrostatic pressure gradients. For two different geometries with the same extracellular volume fraction the geometry with the most tunnel volume had [Formula: see text] higher permeability, but the bulk flow was still insignificant. These simulation results suggest that even large molecule solutes would be more easily cleared from the brain interstitium by diffusion than by bulk flow. Thus, diffusion within the interstitial space combined with advection along vessels is likely to substitute for the lymphatic drainage system in other organs.

  13. Solution of the diffusion equations for several groups by the finite elements method

    International Nuclear Information System (INIS)

    Arredondo S, C.

    1975-01-01

    The code DELFIN has been implemented for the solution of the neutrons diffusion equations in two dimensions obtained by applying the approximation of several groups of energy. The code works with any number of groups and regions, and can be applied to thermal reactors as well as fast reactor. Providing it with the diffusion coefficients, the effective sections and the fission spectrum we obtain the results for the systems multiplying constant and the flows of each groups. The code was established using the method of finite elements, which is a form of resolution of the variational formulation of the equations applying the Ritz-Galerkin method with continuous polynomial functions by parts, in one case of the Lagrange type with rectangular geometry and up to the third grade. The obtained results and the comparison with the results in the literature, permit to reach the conclusion that it is convenient, to use the rectangular elements in all the cases where the geometry permits it, and demonstrate also that the finite elements method is better than the finite differences method. (author)

  14. Diffusion of drag-reducing polymer solutions within a rough-walled turbulent boundary layer

    Science.gov (United States)

    Elbing, Brian R.; Dowling, David R.; Perlin, Marc; Ceccio, Steven L.

    2010-04-01

    The influence of surface roughness on diffusion of wall-injected, drag-reducing polymer solutions within a turbulent boundary layer was studied with a 0.94 m long flat-plate test model at speeds of up to 10.6 m s-1 and Reynolds numbers of up to 9×106. The surface was hydraulically smooth, transitionally rough, or fully rough. Mean concentration profiles were acquired with planar laser induced fluorescence, which was the primary flow diagnostic. Polymer concentration profiles with high injection concentrations (≥1000 wppm) had the peak concentration shifted away from the wall, which was partially attributed to a lifting phenomenon. The diffusion process was divided into three zones—initial, intermediate, and final. Studies of polymer injection into a polymer ocean at concentrations sufficient for maximum drag reduction indicated that the maximum initial zone length is of the order of 100 boundary layer thicknesses. The intermediate zone results indicate that friction velocity and roughness height are important scaling parameters in addition to flow and injection conditions. Lastly, the current results were combined with those in Petrie et al. ["Polymer drag reduction with surface roughness in flat-plate turbulent boundary layer flow," Exp. Fluids 35, 8 (2003)] to demonstrate that the influence of polymer degradation increases with increased surface roughness.

  15. Solution of the multigroup neutron diffusion Eigenvalue problem in slab geometry by modified power method

    Energy Technology Data Exchange (ETDEWEB)

    Zanette, Rodrigo [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Programa de Pós-Graduação em Matemática Aplicada; Petersen, Claudio Z.; Tavares, Matheus G., E-mail: rodrigozanette@hotmail.com, E-mail: claudiopetersen@yahoo.com.br, E-mail: matheus.gulartetavares@gmail.com [Universidade Federal de Pelotas (UFPEL), RS (Brazil). Programa de Pós-Graduação em Modelagem Matemática

    2017-07-01

    We describe in this work the application of the modified power method for solve the multigroup neutron diffusion eigenvalue problem in slab geometry considering two-dimensions for nuclear reactor global calculations. It is well known that criticality calculations can often be best approached by solving eigenvalue problems. The criticality in nuclear reactors physics plays a relevant role since establishes the ratio between the numbers of neutrons generated in successive fission reactions. In order to solve the eigenvalue problem, a modified power method is used to obtain the dominant eigenvalue (effective multiplication factor (K{sub eff})) and its corresponding eigenfunction (scalar neutron flux), which is non-negative in every domain, that is, physically relevant. The innovation of this work is solving the neutron diffusion equation in analytical form for each new iteration of the power method. For solve this problem we propose to apply the Finite Fourier Sine Transform on one of the spatial variables obtaining a transformed problem which is resolved by well-established methods for ordinary differential equations. The inverse Fourier transform is used to reconstruct the solution for the original problem. It is known that the power method is an iterative source method in which is updated by the neutron flux expression of previous iteration. Thus, for each new iteration, the neutron flux expression becomes larger and more complex due to analytical solution what makes propose that it be reconstructed through an polynomial interpolation. The methodology is implemented to solve a homogeneous problem and the results are compared with works presents in the literature. (author)

  16. Eternal solutions to a singular diffusion equation with critical gradient absorption

    International Nuclear Information System (INIS)

    Iagar, Razvan Gabriel; Laurençot, Philippe

    2013-01-01

    The existence of non-negative radially symmetric eternal solutions of exponential self-similar type u(t, x) = e −pβt/(2−p) f β (|x|e −βt ; β) is investigated for the singular diffusion equation with critical gradient absorption ∂ t u−Δ p u+|∇u| p/2 =0  in (0,∞)×R N , where 2N/(N + 1) < p < 2. Such solutions are shown to exist only if the parameter β ranges in a bounded interval (0, β * ], which is in sharp contrast to well-known singular diffusion equations, such as ∂ t φ − Δ p φ = 0 when p = 2N/(N + 1), N ⩾ 1, or the porous medium equation ∂ t φ − Δφ m  = 0 when m = (N − 2)/N, N ⩾ 3. Moreover, the profile f(r; β) decays to zero as r → ∞ in a faster way for β = β * than for β ∈ (0, β * ) but the algebraic leading order is the same in both cases. In fact, for large r, f(r; β * ) decays as r −p/(2−p) while f(r; β) behaves as (log r) 2/(2−p) r −p/(2−p) when β ∈ (0, β * ). (paper)

  17. Size, shape, and diffusivity of a single Debye-Hückel polyelectrolyte chain in solution

    Science.gov (United States)

    Soysa, W. Chamath; Dünweg, B.; Prakash, J. Ravi

    2015-08-01

    Brownian dynamics simulations of a coarse-grained bead-spring chain model, with Debye-Hückel electrostatic interactions between the beads, are used to determine the root-mean-square end-to-end vector, the radius of gyration, and various shape functions (defined in terms of eigenvalues of the radius of gyration tensor) of a weakly charged polyelectrolyte chain in solution, in the limit of low polymer concentration. The long-time diffusivity is calculated from the mean square displacement of the centre of mass of the chain, with hydrodynamic interactions taken into account through the incorporation of the Rotne-Prager-Yamakawa tensor. Simulation results are interpreted in the light of the Odjik, Skolnick, Fixman, Khokhlov, and Khachaturian blob scaling theory (Everaers et al., Eur. Phys. J. E 8, 3 (2002)) which predicts that all solution properties are determined by just two scaling variables—the number of electrostatic blobs X and the reduced Debye screening length, Y. We identify three broad regimes, the ideal chain regime at small values of Y, the blob-pole regime at large values of Y, and the crossover regime at intermediate values of Y, within which the mean size, shape, and diffusivity exhibit characteristic behaviours. In particular, when simulation results are recast in terms of blob scaling variables, universal behaviour independent of the choice of bead-spring chain parameters, and the number of blobs X, is observed in the ideal chain regime and in much of the crossover regime, while the existence of logarithmic corrections to scaling in the blob-pole regime leads to non-universal behaviour.

  18. Experimental test of depth dependence of solutions for time-resolved diffusion equation

    Energy Technology Data Exchange (ETDEWEB)

    Laidevant, A.; Da Silva, A.; Moy, J.P.; Berger, M.; Dinten, J.M

    2004-07-01

    The determination of optical properties of a semi-infinite medium such as biological tissue has been widely investigated by many authors. Reflectance formulas can be derived from the diffusion equation for different boundary conditions at the medium-air interface. This quantity can be measured at the medium surface. For realistic objects, such as a mouse, tissue optical properties can realistically only be determined at the object surface. However, near the surface diffusion approximation is weak and boundary models have to be considered. In order to investigate the validity of the time resolved reflectance approach at the object boundary, we have estimated optical properties of a liquid semi-infinite medium by this method for different boundary conditions and different fiber's position beneath the surface. The time-correlated single photon counting (TCSPC) technique is used to measure the reflectance curve. Our liquid phantoms are made of water, Intra-lipid and Ink. Laser light is delivered by a pulsed laser diode. Measurements are then fitted to theoretical solutions expressed as a function of source and detector's depth and distance. By taking as reference the optical properties obtained from the infinite model for fibers deeply immersed, influence of the different boundary conditions and bias induced are established for different fibers' depth and a variety of solutions. This influence is analysed by comparing evolution of the reflectance models, as well as estimations of absorption and scattering coefficients. According to this study we propose a strategy for determining optical properties of a solid phantom where measurements can only be realized at the surface. (authors)

  19. Discretization of convection-diffusion equations with finite-difference scheme derived from simplified analytical solutions

    International Nuclear Information System (INIS)

    Kriventsev, Vladimir

    2000-09-01

    Most of thermal hydraulic processes in nuclear engineering can be described by general convection-diffusion equations that are often can be simulated numerically with finite-difference method (FDM). An effective scheme for finite-difference discretization of such equations is presented in this report. The derivation of this scheme is based on analytical solutions of a simplified one-dimensional equation written for every control volume of the finite-difference mesh. These analytical solutions are constructed using linearized representations of both diffusion coefficient and source term. As a result, the Efficient Finite-Differencing (EFD) scheme makes it possible to significantly improve the accuracy of numerical method even using mesh systems with fewer grid nodes that, in turn, allows to speed-up numerical simulation. EFD has been carefully verified on the series of sample problems for which either analytical or very precise numerical solutions can be found. EFD has been compared with other popular FDM schemes including novel, accurate (as well as sophisticated) methods. Among the methods compared were well-known central difference scheme, upwind scheme, exponential differencing and hybrid schemes of Spalding. Also, newly developed finite-difference schemes, such as the the quadratic upstream (QUICK) scheme of Leonard, the locally analytic differencing (LOAD) scheme of Wong and Raithby, the flux-spline scheme proposed by Varejago and Patankar as well as the latest LENS discretization of Sakai have been compared. Detailed results of this comparison are given in this report. These tests have shown a high efficiency of the EFD scheme. For most of sample problems considered EFD has demonstrated the numerical error that appeared to be in orders of magnitude lower than that of other discretization methods. Or, in other words, EFD has predicted numerical solution with the same given numerical error but using much fewer grid nodes. In this report, the detailed

  20. Diffusion-accelerated solution of the 2-D x-y Sn equations with linear-bilinear nodal differencing

    International Nuclear Information System (INIS)

    Wareing, T.A.; Walters, W.F.; Morel, J.E.

    1994-01-01

    Recently a new diffusion-synthetic acceleration scheme was developed for solving the 2-D S n Equations in x-y geometry with bilinear-discontinuous finite element spatial discretization using a bilinear-discontinuous diffusion differencing scheme for the diffusion acceleration equations. This method differs from previous methods in that it is conditional efficient for problems with isotropic or nearly isotropic scattering. We have used the same bilinear-discontinuous diffusion scheme, and associated solution technique, to accelerate the x-y geometry S n equations with linear-bilinear nodal spatial differencing. We find that this leads to an unconditionally efficient solution method for problems with isotropic or nearly isotropic scattering. computational results are given which demonstrate this property

  1. Neutron diffusion approximation solution for the the three layer borehole cylindrical geometry. Pt. 1. Theoretical description

    International Nuclear Information System (INIS)

    Czubek, J.A.; Woznicka, U.

    1997-01-01

    A solution of the neutron diffusion equation is given for a three layer cylindrical coaxial geometry. The calculation is performed in two neutron-energy groups which distinguish the thermal and epithermal neutron fluxes in the media irradiated by the fast point neutron source. The aim of the calculation is to define the neutron slowing down and migration lengths which are observed at a given point of the system. Generally, the slowing down and migration lengths are defined for an infinite homogenous medium (irradiated by the point neutron source) as a quotient of the neutron flux moment of the (2n + 2)-order to the moment of the 2n-order. Czubek(1992) introduced in the same manner the apparent neutron slowing down length and the apparent migration length for a given multi-region cylindrical geometry. The solutions in the present paper are applied to the method of semi-empirical calibration of neutron well-logging tools. The three-region cylindrical geometry corresponds to the borehole of radius R 1 surrounded by the intermediate region (e.g. mud cake) of thickness (R 2 -R 1 ) and finally surrounded by the geological formation which spreads from R 2 up to infinity. The cylinders of an infinite length are considered. The paper gives detailed solutions for the 0-th, 2-nd and 4-th neutron moments of the neutron fluxes for each neutron energy group and in each cylindrical layer. A comprehensive list of the solutions for integrals containing Bessel functions or their derivatives, which are absent in common tables of integrals, is also included. (author)

  2. Neutron diffusion approximation solution for the the three layer borehole cylindrical geometry. Pt. 1. Theoretical description

    Energy Technology Data Exchange (ETDEWEB)

    Czubek, J.A.; Woznicka, U. [The H. Niewodniczanski Inst. of Nuclear Physics, Cracow (Poland)

    1997-12-31

    A solution of the neutron diffusion equation is given for a three layer cylindrical coaxial geometry. The calculation is performed in two neutron-energy groups which distinguish the thermal and epithermal neutron fluxes in the media irradiated by the fast point neutron source. The aim of the calculation is to define the neutron slowing down and migration lengths which are observed at a given point of the system. Generally, the slowing down and migration lengths are defined for an infinite homogenous medium (irradiated by the point neutron source) as a quotient of the neutron flux moment of the (2n{sup +}2)-order to the moment of the 2n-order. Czubek(1992) introduced in the same manner the apparent neutron slowing down length and the apparent migration length for a given multi-region cylindrical geometry. The solutions in the present paper are applied to the method of semi-empirical calibration of neutron well-logging tools. The three-region cylindrical geometry corresponds to the borehole of radius R{sub 1} surrounded by the intermediate region (e.g. mud cake) of thickness (R{sub 2}-R{sub 1}) and finally surrounded by the geological formation which spreads from R{sub 2} up to infinity. The cylinders of an infinite length are considered. The paper gives detailed solutions for the 0-th, 2-nd and 4-th neutron moments of the neutron fluxes for each neutron energy group and in each cylindrical layer. A comprehensive list of the solutions for integrals containing Bessel functions or their derivatives, which are absent in common tables of integrals, is also included. (author) 6 refs, 2 figs

  3. Test of the 'glymphatic' hypothesis demonstrates diffusive and aquaporin-4-independent solute transport in rodent brain parenchyma.

    Science.gov (United States)

    Smith, Alex J; Yao, Xiaoming; Dix, James A; Jin, Byung-Ju; Verkman, Alan S

    2017-08-21

    Transport of solutes through brain involves diffusion and convection. The importance of convective flow in the subarachnoid and paravascular spaces has long been recognized; a recently proposed 'glymphatic' clearance mechanism additionally suggests that aquaporin-4 (AQP4) water channels facilitate convective transport through brain parenchyma. Here, the major experimental underpinnings of the glymphatic mechanism were re-examined by measurements of solute movement in mouse brain following intracisternal or intraparenchymal solute injection. We found that: (i) transport of fluorescent dextrans in brain parenchyma depended on dextran size in a manner consistent with diffusive rather than convective transport; (ii) transport of dextrans in the parenchymal extracellular space, measured by 2-photon fluorescence recovery after photobleaching, was not affected just after cardiorespiratory arrest; and (iii) Aqp4 gene deletion did not impair transport of fluorescent solutes from sub-arachnoid space to brain in mice or rats. Our results do not support the proposed glymphatic mechanism of convective solute transport in brain parenchyma.

  4. A numerical method for osmotic water flow and solute diffusion with deformable membrane boundaries in two spatial dimension

    Science.gov (United States)

    Yao, Lingxing; Mori, Yoichiro

    2017-12-01

    Osmotic forces and solute diffusion are increasingly seen as playing a fundamental role in cell movement. Here, we present a numerical method that allows for studying the interplay between diffusive, osmotic and mechanical effects. An osmotically active solute obeys a advection-diffusion equation in a region demarcated by a deformable membrane. The interfacial membrane allows transmembrane water flow which is determined by osmotic and mechanical pressure differences across the membrane. The numerical method is based on an immersed boundary method for fluid-structure interaction and a Cartesian grid embedded boundary method for the solute. We demonstrate our numerical algorithm with the test case of an osmotic engine, a recently proposed mechanism for cell propulsion.

  5. Influence of microemulsion-mucin interaction on the fate of microemulsions diffusing through pig gastric mucin solutions.

    Science.gov (United States)

    Zhang, Jianbin; Lv, Yan; Wang, Bing; Zhao, Shan; Tan, Mingqian; Lv, Guojun; Ma, Xiaojun

    2015-03-02

    Mucus layer, a selective diffusion barrier, has an important effect on the fate of drug delivery systems in the gastrointestinal tract. To study the fate of microemulsions in the mucus layer, four microemulsion formulations with different particle sizes and lipid compositions were prepared. The microemulsion-mucin interaction was demonstrated by the fluorescence resonance energy transfer (FRET) method. Moreover, the microemulsions were observed aggregated into micron-sized emulsions by laser confocal microscopy. We concluded the microemulsion-mucin interaction not only led to microemulsions closely adhered to mucins but also destroyed the structure of microemulsions. At last, the diffusion of blank microemulsions and microemulsion-carried drugs (resveratrol and hymecromone) through mucin solutions was determined by the fluorescence recovery after photobleaching (FRAP) method and the Franz diffusion cell method. The results demonstrated the diffusion of microemulsions was significantly hindered by mucin solutions. The particle size of microemulsions had a negligible effect on the diffusion coefficients. However, the type of lipid played an important role, which could form hydrophobic interactions with mucins. Interestingly, microemulsion-carried drugs with different core/shell locations seemed to suffer different fates in the mucin solutions. The drug incorporated in the oil core of microemulsions, resveratrol, was transported through the mucus layer by the carriers, while the drug incorporated in the surfactant shell of microemulsions, hymecromone, was separated from the carriers and diffused toward the epithelium in the form of free molecules.

  6. Divergent series and memory of the initial condition in the long-time solution of some anomalous diffusion problems.

    Science.gov (United States)

    Yuste, S Bravo; Borrego, R; Abad, E

    2010-02-01

    We consider various anomalous d -dimensional diffusion problems in the presence of an absorbing boundary with radial symmetry. The motion of particles is described by a fractional diffusion equation. Their mean-square displacement is given by r(2) proportional, variant t(gamma)(0divergent series appear when the concentration or survival probabilities are evaluated via the method of separation of variables. While the solution for normal diffusion problems is, at most, divergent as t-->0 , the emergence of such series in the long-time domain is a specific feature of subdiffusion problems. We present a method to regularize such series, and, in some cases, validate the procedure by using alternative techniques (Laplace transform method and numerical simulations). In the normal diffusion case, we find that the signature of the initial condition on the approach to the steady state rapidly fades away and the solution approaches a single (the main) decay mode in the long-time regime. In remarkable contrast, long-time memory of the initial condition is present in the subdiffusive case as the spatial part Psi1(r) describing the long-time decay of the solution to the steady state is determined by a weighted superposition of all spatial modes characteristic of the normal diffusion problem, the weight being dependent on the initial condition. Interestingly, Psi1(r) turns out to be independent of the anomalous diffusion exponent gamma .

  7. On the analytical solutions of the system of conformable time-fractional Robertson equations with 1-D diffusion

    International Nuclear Information System (INIS)

    Iyiola, O.S.; Tasbozan, O.; Kurt, A.; Çenesiz, Y.

    2017-01-01

    In this paper, we consider the system of conformable time-fractional Robertson equations with one-dimensional diffusion having widely varying diffusion coefficients. Due to the mismatched nature of the initial and boundary conditions associated with Robertson equation, there are spurious oscillations appearing in many computational algorithms. Our goal is to obtain an approximate solutions of this system of equations using the q-homotopy analysis method (q-HAM) and examine the widely varying diffusion coefficients and the fractional order of the derivative.

  8. Solution to the Diffusion equation for multi groups in X Y geometry using Linear Perturbation theory

    International Nuclear Information System (INIS)

    Mugica R, C.A.

    2004-01-01

    Diverse methods exist to solve numerically the neutron diffusion equation for several energy groups in stationary state among those that highlight those of finite elements. In this work the numerical solution of this equation is presented using Raviart-Thomas nodal methods type finite element, the RT0 and RT1, in combination with iterative techniques that allow to obtain the approached solution in a quick form. Nevertheless the above mentioned, the precision of a method is intimately bound to the dimension of the approach space by cell, 5 for the case RT0 and 12 for the RT1, and/or to the mesh refinement, that makes the order of the problem of own value to solve to grow considerably. By this way if it wants to know an acceptable approach to the value of the effective multiplication factor of the system when this it has experimented a small perturbation it was appeal to the Linear perturbation theory with which is possible to determine it starting from the neutron flow and of the effective multiplication factor of the not perturbed case. Results are presented for a reference problem in which a perturbation is introduced in an assemble that simulates changes in the control bar. (Author)

  9. Mean field effects for counterpropagating traveling wave solutions of reaction-diffusion systems

    International Nuclear Information System (INIS)

    Bernoff, A.J.; Kuske, R.; Matkowsky, B.J.; Volpert, V.

    1995-01-01

    In many problems, one observes traveling waves that propagate with constant velocity and shape in the χ direction, say, are independent of y, and z and describe transitions between two equilibrium states. As parameters of the system are varied, these traveling waves can become unstable and give rise to waves having additional structure, such as traveling waves in the y and z directions, which can themselves be subject to instabilities as parameters are further varied. To investigate this scenario the authors consider a system of reaction-diffusion equations with a traveling wave solution as a basic state. They determine solutions bifurcating from the basic state that describe counterpropagating traveling wave in directions orthogonal to the direction of propagation of the basic state and determine their stability. Specifically, they derive long wave modulation equations for the amplitudes of the counterpropagating traveling waves that are coupled to an equation for a mean field, generated by the translation of the basic state in the direction of its propagation. The modulation equations are then employed to determine stability boundaries to long wave perturbations for both unidirectional and counterpropagating traveling waves. The stability analysis is delicate because the results depend on the order in which transverse and longitudinal perturbation wavenumbers are taken to zero. For the unidirectional wave they demonstrate that it is sufficient to consider the cases of (1) purely transverse perturbations, (2) purely longitudinal perturbations, and (3) longitudinal perturbations with a small transverse component. These yield Eckhaus type, zigzag type, and skew type instabilities, respectively

  10. Temperature and concentration calibration of aqueous polyvinylpyrrolidone (PVP solutions for isotropic diffusion MRI phantoms.

    Directory of Open Access Journals (Sweden)

    Friedrich Wagner

    Full Text Available To use the "apparent diffusion coefficient" (Dapp as a quantitative imaging parameter, well-suited test fluids are essential. In this study, the previously proposed aqueous solutions of polyvinylpyrrolidone (PVP were examined and temperature calibrations were obtained. For example, at a temperature of 20°C, Dapp ranged from 1.594 (95% CI: 1.593, 1.595 μm2/ms to 0.3326 (95% CI: 0. 3304, 0.3348 μm2/ms for PVP-concentrations ranging from 10% (w/w to 50% (w/w using K30 polymer lengths. The temperature dependence of Dapp was found to be so strong that a negligence seems not advisable. The temperature dependence is descriptively modelled by an exponential function exp(c2 (T - 20°C and the determined c2 values are reported, which can be used for temperature calibration. For example, we find the value 0.02952 K-1 for 30% (w/w PVP-concentration and K30 polymer length. In general, aqueous PVP solutions were found to be suitable to produce easily applicable and reliable Dapp-phantoms.

  11. Approximate series solution of multi-dimensional, time fractional-order (heat-like) diffusion equations using FRDTM.

    Science.gov (United States)

    Singh, Brajesh K; Srivastava, Vineet K

    2015-04-01

    The main goal of this paper is to present a new approximate series solution of the multi-dimensional (heat-like) diffusion equation with time-fractional derivative in Caputo form using a semi-analytical approach: fractional-order reduced differential transform method (FRDTM). The efficiency of FRDTM is confirmed by considering four test problems of the multi-dimensional time fractional-order diffusion equation. FRDTM is a very efficient, effective and powerful mathematical tool which provides exact or very close approximate solutions for a wide range of real-world problems arising in engineering and natural sciences, modelled in terms of differential equations.

  12. Use of ultrafast dispersed pump-dump-probe and pump-repump-probe spectroscopies to explore the light-induced dynamics of peridinin in solution

    NARCIS (Netherlands)

    Papagiannakis, E.; Vengris, M.; Larsen, D.S.; van Stokkum, I.H.M.; Hiller, R.G.; van Grondelle, R.

    2006-01-01

    Optical pump-induced dynamics of the highly asymmetric carotenoid peridinin in methanol was studied by dispersed pump-probe, pump-dump-probe, and pump-repump-probe transient absorption spectroscopy in the visible region. Dispersed pump-probe measurements show that the decay of the initially excited

  13. Transit time dispersion in pulmonary and systemic circulation: effects of cardiac output and solute diffusivity.

    Science.gov (United States)

    Weiss, Michael; Krejcie, Tom C; Avram, Michael J

    2006-08-01

    We present an in vivo method for analyzing the distribution kinetics of physiological markers into their respective distribution volumes utilizing information provided by the relative dispersion of transit times. Arterial concentration-time curves of markers of the vascular space [indocyanine green (ICG)], extracellular fluid (inulin), and total body water (antipyrine) measured in awake dogs under control conditions and during phenylephrine or isoproterenol infusion were analyzed by a recirculatory model to estimate the relative dispersions of transit times across the systemic and pulmonary circulation. The transit time dispersion in the systemic circulation was used to calculate the whole body distribution clearance, and an interpretation is given in terms of a lumped organ model of blood-tissue exchange. As predicted by theory, this relative dispersion increased linearly with cardiac output, with a slope that was inversely related to solute diffusivity. The relative dispersion of the flow-limited indicator antipyrine exceeded that of ICG (as a measure of intravascular mixing) only slightly and was consistent with a diffusional equilibration time in the extravascular space of approximately 10 min, except during phenylephrine infusion, which led to an anomalously high relative dispersion. A change in cardiac output did not alter the heterogeneity of capillary transit times of ICG. The results support the view that the relative dispersions of transit times in the systemic and pulmonary circulation estimated from solute disposition data in vivo are useful measures of whole body distribution kinetics of indicators and endogenous substances. This is the first model that explains the effect of flow and capillary permeability on whole body distribution of solutes without assuming well-mixed compartments.

  14. Bulk diffusion and solubility of silver and nickel in lead, lead-silver and lead-nickel solid solutions

    International Nuclear Information System (INIS)

    Amenzou-Badrour, H.; Moya, G.; Bernardini, J.

    1988-01-01

    The results of a study of solubility and bulk diffusion of /sup 110/Ag and /sup 63/Ni in lead, lead-silver and lead-nickel solid solutions in the temperature range 220 to 88 0 C are reported. Owing to the low solubility of silver and nickel in lead, Fick's solution corresponding to the boundary condition of a constant concentration of solute at the surface has been used. Depth profile concentration analysis suggests a fundamental difference between the diffusion mechanisms of silver and nickel. Since silver penetration profiles in pure lead give diffusion coefficients independent of the penetration depth and silver concentration, it is suggested that slight decreases of silver diffusivity in lead-silver solid solutions have no significance. This implies that the interstitial silver atoms do not associate significantly with each other to form Ag-Ag dimers. In contrast, different behaviors of /sup 63/Ni depth profile concentration in pure lead and saturated PbNi solid solutions agree with a Ni-Ni interaction leading to the formation of less mobile dimers near the surface in pure lead

  15. Analytical solution to the diffusion, sorption and decay chain equation in a saturated porous medium between two reservoirs

    International Nuclear Information System (INIS)

    Guzman, Juan; Maximov, Serguei; Escarela-Perez, Rafael; López-García, Irvin; Moranchel, Mario

    2015-01-01

    The diffusion and distribution coefficients are important parameters in the design of barrier systems used in radioactive repositories. These coefficients can be determined using a two-reservoir configuration, where a saturated porous medium is allocated between two reservoirs filled by stagnant water. One of the reservoirs contains a high concentration of radioisotopes. The goal of this work is to obtain an analytical solution for the concentration of all radioisotopes in the decay chain of a two-reservoir configuration. The analytical solution must be obtained by taking into account the diffusion and sorption processes. Concepts such as overvalued concentration, diffusion and decay factors are employed to this end. It is analytically proven that a factor of the solution is identical for all chains (considering a time scaling factor), if certain parameters do not change. In addition, it is proven that the concentration sensitivity, due to the distribution coefficient variation, depends of the porous medium thickness, which is practically insensitive for small porous medium thicknesses. The analytical solution for the radioisotope concentration is compared with experimental and numerical results available in literature. - Highlights: • Saturated porous media allocated between two reservoirs. • Analytical solution of the isotope transport equation. • Transport considers diffusion, sorption and decay chain

  16. Hybrid nodal methods in the solution of the diffusion equations in X Y geometry

    International Nuclear Information System (INIS)

    Hernandez M, N.; Alonso V, G.; Valle G, E. del

    2003-01-01

    In 1979, Hennart and collaborators applied several schemes of classic finite element in the numerical solution of the diffusion equations in X Y geometry and stationary state. Almost two decades then, in 1996, himself and other collaborators carried out a similar work but using nodal schemes type finite element. Continuing in this last direction, in this work a group it is described a set of several Hybrid Nodal schemes denominated (NH) as well as their application to solve the diffusion equations in multigroup in stationary state and X Y geometry. The term hybrid nodal it means that such schemes interpolate not only Legendre moments of face and of cell but also the values of the scalar flow of neutrons in the four corners of each cell or element of the spatial discretization of the domain of interest. All the schemes here considered are polynomials like they were it their predecessors. Particularly, its have developed and applied eight different hybrid nodal schemes that its are very nearby related with those developed by Hennart and collaborators in the past. It is treated of schemes in those that nevertheless that decreases the number of interpolation parameters it is conserved the accurate in relation to the bi-quadratic and bi-cubic schemes. Of these eight, three were described and applied in a previous work. It is the bi-lineal classic scheme as well as the hybrid nodal schemes, bi-quadratic and bi-cubic for that here only are described the other 5 hybrid nodal schemes although they are provided numerical results for several test problems with all them. (Author)

  17. On progress of the solution of the stationary 2-dimensional neutron diffusion equation: a polynomial approximation method with error analysis

    International Nuclear Information System (INIS)

    Ceolin, C.; Schramm, M.; Bodmann, B.E.J.; Vilhena, M.T.

    2015-01-01

    Recently the stationary neutron diffusion equation in heterogeneous rectangular geometry was solved by the expansion of the scalar fluxes in polynomials in terms of the spatial variables (x; y), considering the two-group energy model. The focus of the present discussion consists in the study of an error analysis of the aforementioned solution. More specifically we show how the spatial subdomain segmentation is related to the degree of the polynomial and the Lipschitz constant. This relation allows to solve the 2-D neutron diffusion problem for second degree polynomials in each subdomain. This solution is exact at the knots where the Lipschitz cone is centered. Moreover, the solution has an analytical representation in each subdomain with supremum and infimum functions that shows the convergence of the solution. We illustrate the analysis with a selection of numerical case studies. (author)

  18. On progress of the solution of the stationary 2-dimensional neutron diffusion equation: a polynomial approximation method with error analysis

    Energy Technology Data Exchange (ETDEWEB)

    Ceolin, C., E-mail: celina.ceolin@gmail.com [Universidade Federal de Santa Maria (UFSM), Frederico Westphalen, RS (Brazil). Centro de Educacao Superior Norte; Schramm, M.; Bodmann, B.E.J.; Vilhena, M.T., E-mail: celina.ceolin@gmail.com [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia Mecanica

    2015-07-01

    Recently the stationary neutron diffusion equation in heterogeneous rectangular geometry was solved by the expansion of the scalar fluxes in polynomials in terms of the spatial variables (x; y), considering the two-group energy model. The focus of the present discussion consists in the study of an error analysis of the aforementioned solution. More specifically we show how the spatial subdomain segmentation is related to the degree of the polynomial and the Lipschitz constant. This relation allows to solve the 2-D neutron diffusion problem for second degree polynomials in each subdomain. This solution is exact at the knots where the Lipschitz cone is centered. Moreover, the solution has an analytical representation in each subdomain with supremum and infimum functions that shows the convergence of the solution. We illustrate the analysis with a selection of numerical case studies. (author)

  19. The Complete Solution of Fick's Second Law of Diffusion with Time-dependent Diffusion Coefficient and Surface Concentration

    DEFF Research Database (Denmark)

    Mejlbro, Leif

    1996-01-01

    Fick's Second Law of Diffusion with time-dependent diffusioncoefficient and surface concentration is solved. Mimicking the classicalsolution, special time-dependent surface concentration functions areconsidered. These models are used in giving estimates of the lifetimeof the structure, when...... the concrete cover is given, as well as estimatesof the thickness of the concrete cover, when the expected lifetime is given.*Note: Book tilte: Durability of Concrete in Saline Environment...

  20. The charge effect on the hindrance factors for diffusion and convection of a solute in pores: II

    Energy Technology Data Exchange (ETDEWEB)

    Akinaga, Takeshi; O-tani, Hideyuki; Sugihara-Seki, Masako, E-mail: r091077@kansai-u.ac.jp [Department of Pure and Applied Physics, Kansai University, Yamate-cho, Suita, Osaka 564-8680 (Japan)

    2012-10-15

    The diffusion and convection of a solute suspended in a fluid across porous membranes are known to be reduced compared to those in a bulk solution, owing to the fluid mechanical interaction between the solute and the pore wall as well as steric restriction. If the solute and the pore wall are electrically charged, the electrostatic interaction between them could affect the hindrance to diffusion and convection. In this study, the transport of charged spherical solutes through charged circular cylindrical pores filled with an electrolyte solution containing small ions was studied numerically by using a fluid mechanical and electrostatic model. Based on a mean field theory, the electrostatic interaction energy between the solute and the pore wall was estimated from the Poisson-Boltzmann equation, and the charge effect on the solute transport was examined for the solute and pore wall of like charge. The results were compared with those obtained from the linearized form of the Poisson-Boltzmann equation, i.e. the Debye-Hueckel equation. (paper)

  1. Perturbed invariant subspaces and approximate generalized functional variable separation solution for nonlinear diffusion-convection equations with weak source

    Science.gov (United States)

    Xia, Ya-Rong; Zhang, Shun-Li; Xin, Xiang-Peng

    2018-03-01

    In this paper, we propose the concept of the perturbed invariant subspaces (PISs), and study the approximate generalized functional variable separation solution for the nonlinear diffusion-convection equation with weak source by the approximate generalized conditional symmetries (AGCSs) related to the PISs. Complete classification of the perturbed equations which admit the approximate generalized functional separable solutions (AGFSSs) is obtained. As a consequence, some AGFSSs to the resulting equations are explicitly constructed by way of examples.

  2. Existence and Asymptotic Stability of Periodic Solutions of the Reaction-Diffusion Equations in the Case of a Rapid Reaction

    Science.gov (United States)

    Nefedov, N. N.; Nikulin, E. I.

    2018-01-01

    A singularly perturbed periodic in time problem for a parabolic reaction-diffusion equation in a two-dimensional domain is studied. The case of existence of an internal transition layer under the conditions of balanced and unbalanced rapid reaction is considered. An asymptotic expansion of a solution is constructed. To justify the asymptotic expansion thus constructed, the asymptotic method of differential inequalities is used. The Lyapunov asymptotic stability of a periodic solution is investigated.

  3. Fully implicit solution of large-scale non-equilibrium radiation diffusion with high order time integration

    International Nuclear Information System (INIS)

    Brown, Peter N.; Shumaker, Dana E.; Woodward, Carol S.

    2005-01-01

    We present a solution method for fully implicit radiation diffusion problems discretized on meshes having millions of spatial zones. This solution method makes use of high order in time integration techniques, inexact Newton-Krylov nonlinear solvers, and multigrid preconditioners. We explore the advantages and disadvantages of high order time integration methods for the fully implicit formulation on both two- and three-dimensional problems with tabulated opacities and highly nonlinear fusion source terms

  4. Numerical solution of multigroup diffuse equations of one-dimensional geometry

    International Nuclear Information System (INIS)

    Pavelesku, M.; Adam, S.

    1975-01-01

    The one-dimensional diffuse theory is used for reactor physics calculations of fast reactors. Computer program based on the one-dimensional diffuse theory is speedy and not memory consuming. The algorithm is described for the three-zone fast reactor criticality computation in one-dimensional diffusion approximation. This algorithm is realised on IBM 370/135 computer. (I.T.)

  5. Enhanced diffusion of polycyclic aromatic hydrocarbons in artificial and natural aqueous solutions

    DEFF Research Database (Denmark)

    Mayer, Philipp; Fernqvist, M.M.; Christensen, P.S.

    2007-01-01

    Uptake of hydrophobic organic compounds into organisms is often limited by the diffusive transport through a thin boundary layer. Therefore, a microscale diffusion technique was applied to determine the diffusive mass transfer of 12 polycyclic aromatic hydrocarbons through water, air, surfactant...

  6. Reduction of numerical diffusion in three-dimensional vortical flows using a coupled Eulerian/Lagrangian solution procedure

    Science.gov (United States)

    Felici, Helene M.; Drela, Mark

    1993-01-01

    A new approach based on the coupling of an Eulerian and a Lagrangian solver, aimed at reducing the numerical diffusion errors of standard Eulerian time-marching finite-volume solvers, is presented. The approach is applied to the computation of the secondary flow in two bent pipes and the flow around a 3D wing. Using convective point markers the Lagrangian approach provides a correction of the basic Eulerian solution. The Eulerian flow in turn integrates in time the Lagrangian state-vector. A comparison of coarse and fine grid Eulerian solutions makes it possible to identify numerical diffusion. It is shown that the Eulerian/Lagrangian approach is an effective method for reducing numerical diffusion errors.

  7. Improved diffusivity of NaOH solution in autohydrolyzed poplar sapwood chips for chemi-mechanical pulp production.

    Science.gov (United States)

    Zhang, Honglei; Hou, Qingxi; Liu, Wei; Yue, Zhen; Jiang, Xiaoya; Ma, Xixi

    2018-07-01

    This work investigated the changes in the physical structure of autohydrolyzed poplar sapwood chips and the effect on the subsequent alkali liquor diffusion properties for chemi-mechanical pulping (CMP). An alkali impregnation process was conducted by using the autohydrolyzed poplar sapwood with different levels of autohydrolysis intensity. The results showed that the volume porosity, water constraint capacity, and saturated water absorption of the autohydrolyzed poplar sapwood chips increased. Also, the effective capillary cross-sectional area (ECCSA) in the radial direction and the diffusion coefficients of NaOH solution in both the radial and axial directions all increased. Autohydrolysis pretreatment enhanced the alkali liquor diffusion properties in poplar sapwood chips, and the diffusion coefficient was increased more greatly in the radial direction than that in the axial direction. Copyright © 2018 Elsevier Ltd. All rights reserved.

  8. A HIGH ORDER SOLUTION OF THREE DIMENSIONAL TIME DEPENDENT NONLINEAR CONVECTIVE-DIFFUSIVE PROBLEM USING MODIFIED VARIATIONAL ITERATION METHOD

    Directory of Open Access Journals (Sweden)

    Pratibha Joshi

    2014-12-01

    Full Text Available In this paper, we have achieved high order solution of a three dimensional nonlinear diffusive-convective problem using modified variational iteration method. The efficiency of this approach has been shown by solving two examples. All computational work has been performed in MATHEMATICA.

  9. Traveling wave solutions of a biological reaction-convection-diffusion equation model by using $(G'/G$ expansion method

    Directory of Open Access Journals (Sweden)

    Shahnam Javadi

    2013-07-01

    Full Text Available In this paper, the $(G'/G$-expansion method is applied to solve a biological reaction-convection-diffusion model arising in mathematical biology. Exact traveling wave solutions are obtained by this method. This scheme can be applied to a wide class of nonlinear partial differential equations.

  10. Relating soil solution Zn concentration to diffusive gradients in thin films measurements in contaminated soils.

    Science.gov (United States)

    Degryse, Fien; Smolders, Erik; Oliver, Ian; Zhang, Hao

    2003-09-01

    The technique of diffusive gradients in thin films (DGT) has been suggested to sample an available fraction of metals in soil. The objectives of this study were to compare DGT measurements with commonly measured fractions of Zn in soil, viz, the soil solution concentration and the total Zn concentration. The DGT technique was used to measure fluxes and interfacial concentrations of Zn in three series of field-contaminated soils collected in transects toward galvanized electricity pylons and in 15 soils amended with ZnCl2 at six rates. The ratio of DGT-measured concentration to pore water concentration of Zn, R, varied between 0.02 and 1.52 (mean 0.29). This ratio decreased with decreasing distribution coefficient, Kd, of Zn in the soil, which is in agreement with the predictions of the DGT-induced fluxes in soils (DIFS) model. The R values predicted with the DIFS model were generally larger than the observed values in the ZnCl2-amended soils at the higher Zn rates. A modification of the DIFS model indicated that saturation of the resin gel was approached in these soils, despite the short deployment times used (2 h). The saturation of the resin with Zn did not occur in the control soils (no Zn salt added) or the field-contaminated soils. Pore water concentration of Zn in these soils was predicted from the DGT-measured concentration and the total Zn content. Predicted values and observations were generally in good agreement. The pore water concentration was more than 5 times underpredicted for the most acid soil (pH = 3) and for six other soils, for which the underprediction was attributed to the presence of colloidal Zn in the soil solution.

  11. Vectorized and multitasked solution of the few-group neutron diffusion equations

    International Nuclear Information System (INIS)

    Zee, S.K.; Turinsky, P.J.; Shayer, Z.

    1989-01-01

    A numerical algorithm with parallelism was used to solve the two-group, multidimensional neutron diffusion equations on computers characterized by shared memory, vector pipeline, and multi-CPU architecture features. Specifically, solutions were obtained on the Cray X/MP-48, the IBM-3090 with vector facilities, and the FPS-164. The material-centered mesh finite difference method approximation and outer-inner iteration method were employed. Parallelism was introduced in the inner iterations using the cyclic line successive overrelaxation iterative method and solving in parallel across lines. The outer iterations were completed using the Chebyshev semi-iterative method that allows parallelism to be introduced in both space and energy groups. For the three-dimensional model, power, soluble boron, and transient fission product feedbacks were included. Concentrating on the pressurized water reactor (PWR), the thermal-hydraulic calculation of moderator density assumed single-phase flow and a closed flow channel, allowing parallelism to be introduced in the solution across the radial plane. Using a pinwise detail, quarter-core model of a typical PWR in cycle 1, for the two-dimensional model without feedback the measured million floating point operations per second (MFLOPS)/vector speedups were 83/11.7. 18/2.2, and 2.4/5.6 on the Cray, IBM, and FPS without multitasking, respectively. Lower performance was observed with a coarser mesh, i.e., shorter vector length, due to vector pipeline start-up. For an 18 x 18 x 30 (x-y-z) three-dimensional model with feedback of the same core, MFLOPS/vector speedups of --61/6.7 and an execution time of 0.8 CPU seconds on the Cray without multitasking were measured. Finally, using two CPUs and the vector pipelines of the Cray, a multitasking efficiency of 81% was noted for the three-dimensional model

  12. Probing Ionic Liquid Aqueous Solutions Using Temperature of Maximum Density Isotope Effects

    Directory of Open Access Journals (Sweden)

    Mohammad Tariq

    2013-03-01

    Full Text Available This work is a new development of an extensive research program that is investigating for the first time shifts in the temperature of maximum density (TMD of aqueous solutions caused by ionic liquid solutes. In the present case we have compared the shifts caused by three ionic liquid solutes with a common cation—1-ethyl-3-methylimidazolium coupled with acetate, ethylsulfate and tetracyanoborate anions—in normal and deuterated water solutions. The observed differences are discussed in terms of the nature of the corresponding anion-water interactions.

  13. Coarse-grain parallel solution of few-group neutron diffusion equations

    International Nuclear Information System (INIS)

    Sarsour, H.N.; Turinsky, P.J.

    1991-01-01

    The authors present a parallel numerical algorithm for the solution of the finite difference representation of the few-group neutron diffusion equations. The targeted architectures are multiprocessor computers with shared memory like the Cray Y-MP and the IBM 3090/VF, where coarse granularity is important for minimizing overhead. Most of the work done in the past, which attempts to exploit concurrence, has concentrated on the inner iterations of the standard outer-inner iterative strategy. This produces very fine granularity. To coarsen granularity, the authors introduce parallelism at the nested outer-inner level. The problem's spatial domain was partitioned into contiguous subregions and assigned a processor to solve for each subregion independent of all other subregions, hence, processors; i.e., each subregion is treated as a reactor core with imposed boundary conditions. Since those boundary conditions on interior surfaces, referred to as internal boundary conditions (IBCs), are not known, a third iterative level, the recomposition iterations, is introduced to communicate results between subregions

  14. DISPL-1, 2. Order Nonlinear Partial Differential Equation System Solution for Kinetics Diffusion Problems

    International Nuclear Information System (INIS)

    Leaf, G.K.; Minkoff, M.

    1982-01-01

    1 - Description of problem or function: DISPL1 is a software package for solving second-order nonlinear systems of partial differential equations including parabolic, elliptic, hyperbolic, and some mixed types. The package is designed primarily for chemical kinetics- diffusion problems, although not limited to these problems. Fairly general nonlinear boundary conditions are allowed as well as inter- face conditions for problems in an inhomogeneous medium. The spatial domain is one- or two-dimensional with rectangular Cartesian, cylindrical, or spherical (in one dimension only) geometry. 2 - Method of solution: The numerical method is based on the use of Galerkin's procedure combined with the use of B-Splines (C.W.R. de-Boor's B-spline package) to generate a system of ordinary differential equations. These equations are solved by a sophisticated ODE software package which is a modified version of Hindmarsh's GEAR package, NESC Abstract 592. 3 - Restrictions on the complexity of the problem: The spatial domain must be rectangular with sides parallel to the coordinate geometry. Cross derivative terms are not permitted in the PDE. The order of the B-Splines is at most 12. Other parameters such as the number of mesh points in each coordinate direction, the number of PDE's etc. are set in a macro table used by the MORTRAn2 preprocessor in generating the object code

  15. [Analyze nanofiltration separation rule of chlorogenic acid from low concentration ethanol by Donnan effect and solution-diffusion effect].

    Science.gov (United States)

    Li, Cun-Yu; Liu, Li-Cheng; Jin, Li-Yang; Li, Hong-Yang; Peng, Guo-Ping

    2017-07-01

    To separate chlorogenic acid from low concentration ethanol and explore the influence of Donnan effect and solution-diffusion effect on the nanofiltration separation rule. The experiment showed that solution pH and ethanol volume percent had influences on the separation of chlorogenic acid. Within the pH values from 3 to 7 for chlorogenic acid in 30% ethanol, the rejection rate of chlorogenic acid was changed by 70.27%. Through the response surface method for quadratic regression model, an interaction had been found in molecule weight cut-off, pH and ethanol volume percent. In fixed nanofiltration apparatus, the existence states of chlorogenic acid determinedits separation rules. With the increase of ethanol concentration, the free form chlorogenic acid was easily adsorbed, dissolved on membrane surface and then caused high transmittance due to the solution-diffusion effect. However, at the same time, due to the double effects of Donnan effect and solution-diffusion effect, the ionic state of chlorogenic acid was hard to be adsorbed in membrane surface and thus caused high rejection rate. The combination of Box-Behnken design and response surface analysis can well optimize the concentrate process by nanofiltration, and the results showed that nanofiltration had several big advantages over the traditional vacuum concentrate technology, meanwhile, and solved the problems of low efficiency and serious component lossesin the Chinese medicines separation process for low concentration organic solvent-water solution. Copyright© by the Chinese Pharmaceutical Association.

  16. An analytical method for solving exact solutions of the nonlinear Bogoyavlenskii equation and the nonlinear diffusive predator–prey system

    Directory of Open Access Journals (Sweden)

    Md. Nur Alam

    2016-06-01

    Full Text Available In this article, we apply the exp(-Φ(ξ-expansion method to construct many families of exact solutions of nonlinear evolution equations (NLEEs via the nonlinear diffusive predator–prey system and the Bogoyavlenskii equations. These equations can be transformed to nonlinear ordinary differential equations. As a result, some new exact solutions are obtained through the hyperbolic function, the trigonometric function, the exponential functions and the rational forms. If the parameters take specific values, then the solitary waves are derived from the traveling waves. Also, we draw 2D and 3D graphics of exact solutions for the special diffusive predator–prey system and the Bogoyavlenskii equations by the help of programming language Maple.

  17. A highly selective turn-on fluorescent probe for Al3+ in aqueous solution based on quinoline Schiff-base

    Science.gov (United States)

    Huang, Peng-Cheng; Fang, Hao; Xiong, Jing-Jing; Wu, Fang-Ying

    2017-06-01

    A new Al3+-specific fluorescent probe NQ was designed and synthesized from 2-hydroxy-1-naphthaldehyde and 2-aminoquinoline. Upon the addition of Al3+, the fluorescent intensity of NQ was significantly enhanced compared with other examined metal ions in aqueous solution. The result of a Job’s plot indicated the formation of a 1:1 complex between the probe and Al3+, and the possible binding mode of the system between NQ and Al3+ was clarified by IR analysis and 1H NMR titration. Moreover, other metal ions examined had little effect on the detection of Al3+. The detection limit of NQ for Al3+ detection was 1.98 μM, which is lower than the level (7.4 μM) in drinking water defined by the World Health Organization. In addition, the fluorescent probe NQ could be recyclable simply through treatment with a proper reagent such as F-, and could also be used for the detection of Al3+ in real samples.

  18. Differential Mobility Spectrometry-Hydrogen Deuterium Exchange (DMS-HDX) as a Probe of Protein Conformation in Solution.

    Science.gov (United States)

    Zhu, Shaolong; Campbell, J Larry; Chernushevich, Igor; Le Blanc, J C Yves; Wilson, Derek J

    2016-06-01

    Differential mobility spectrometry (DMS) is an ion mobility technique that has been adopted chiefly as a pre-filter for small- to medium-sized analytes (DMS-field asymmetric waveform ion mobility spectroscopy (FAIMS)-the application of DMS to intact biomacromolecules remains largely unexplored. In this work, we employ DMS combined with gas-phase hydrogen deuterium exchange (DMS-HDX) to probe the gas-phase conformations generated from proteins that were initially folded, partially-folded, and unfolded in solution. Our findings indicate that proteins with distinct structural features in solution exhibit unique deuterium uptake profiles as function of their optimal transmission through the DMS. Ultimately we propose that DMS-HDX can, if properly implemented, provide rapid measurements of liquid-phase protein structural stability that could be of use in biopharmaceuticals development. Graphical Abstract ᅟ.

  19. Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

    Directory of Open Access Journals (Sweden)

    Matthew J Simpson

    Full Text Available Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0solutions with numerical approximations confirms the veracity of the method. Furthermore, our examples illustrate a delicate interplay between: (i the rate at which the domain elongates, (ii the diffusivity associated with the spreading density profile, (iii the reaction rate, and (iv the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t.

  20. Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

    Science.gov (United States)

    Simpson, Matthew J

    2015-01-01

    Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE) on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0exact solutions with numerical approximations confirms the veracity of the method. Furthermore, our examples illustrate a delicate interplay between: (i) the rate at which the domain elongates, (ii) the diffusivity associated with the spreading density profile, (iii) the reaction rate, and (iv) the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t).

  1. The PLUS family: A set of computer programs to evaluate analytical solutions of the diffusion equation and thermoelasticity

    International Nuclear Information System (INIS)

    Montan, D.N.

    1987-02-01

    This report is intended to describe, document and provide instructions for the use of new versions of a set of computer programs commonly referred to as the PLUS family. These programs were originally designed to numerically evaluate simple analytical solutions of the diffusion equation. The new versions include linear thermo-elastic effects from thermal fields calculated by the diffusion equation. After the older versions of the PLUS family were documented a year ago, it was realized that the techniques employed in the programs were well suited to the addition of linear thermo-elastic phenomena. This has been implemented and this report describes the additions. 3 refs., 14 figs

  2. A solution of the thermal neutron diffusion equation for a two-region cyclindrical system program for ODRA-1305 computer

    International Nuclear Information System (INIS)

    Drozdowicz, K.; Woznicka, U.

    1982-01-01

    The program in FORTRAN for the ODRA-1305 computer is described. The dependence of the decay constant of the thermal neutron flux upon the dimensions of the two-region concentric cylindrical system is the result of the program. The solution (with a constant neutron flux in the inner medium assumed) is generally obtained in the one-group diffusion approximation by the method of the perturbation calculation. However, the energy distribution of the thermal neutron flux and the diffusion cooling are taken into account. The program is written for the case when the outer medium is hydrogenous. The listing of the program and an example of calculation results are included. (author)

  3. Direct imaging of thermally-activated grain-boundary diffusion in Cu/Co/IrMn/Pt exchange-bias structures using atom-probe tomography

    Energy Technology Data Exchange (ETDEWEB)

    Letellier, F.; Lardé, R.; Le Breton, J.-M., E-mail: jean-marie.lebreton@univ-rouen.fr [Groupe de Physique des Matériaux, UMR 6634 CNRS/Université et INSA de Rouen, F-76801 Saint Etienne du Rouvray (France); Lechevallier, L. [Groupe de Physique des Matériaux, UMR 6634 CNRS/Université et INSA de Rouen, F-76801 Saint Etienne du Rouvray (France); Département de GEII, Université de Cergy-Pontoise, F-95031 Cergy-Pontoise (France); Akmaldinov, K. [SPINTEC, Univ. Grenoble-Alpes/CNRS/INAC-CEA, F-38000 Grenoble (France); CROCUS Technology, F-38025 Grenoble (France); Auffret, S.; Dieny, B.; Baltz, V., E-mail: vincent.baltz@cea.fr [SPINTEC, Univ. Grenoble-Alpes/CNRS/INAC-CEA, F-38000 Grenoble (France)

    2014-11-28

    Magnetic devices are often subject to thermal processing steps, such as field cooling to set exchange bias and annealing to crystallize amorphous magnetic electrodes. These processing steps may result in interdiffusion and the subsequent deterioration of magnetic properties. In this study, we investigated thermally-activated diffusion in Cu/Co/IrMn/Pt exchange biased polycrystalline thin-film structures using atom probe tomography. Images taken after annealing at 400 °C for 60 min revealed Mn diffusion into Co grains at the Co/IrMn interface and along Pt grain boundaries for the IrMn/Pt stack, i.e., a Harrison type C regime. Annealing at 500 °C showed further Mn diffusion into Co grains. At the IrMn/Pt interface, annealing at 500 °C led to a type B behavior since Mn diffusion was detected both along Pt grain boundaries and also into Pt grains. The deterioration of the films' exchange bias properties upon annealing was correlated to the observed diffusion. In particular, the topmost Pt capping layer thickness turned out to be crucial since a faster deterioration of the exchange bias properties for thicker caps was observed. This is consistent with the idea that Pt acts as a getter for Mn, drawing Mn out of the IrMn layer.

  4. The Generalized Maxwell-Stefan Model Coupled with Vacancy Solution Theory of Adsorption for Diffusion in Zeolites

    Directory of Open Access Journals (Sweden)

    Seyyed Milad Salehi

    2014-01-01

    Full Text Available It seems using the Maxwell-Stefan (M-S diffusion model in combination with the vacancy solution theory (VST and the single-component adsorption data provides a superior, qualitative, and quantitative prediction of diffusion in zeolites. In the M-S formulation, thermodynamic factor (Г is an essential parameter which must be estimated by an adsorption isotherm. Researchers usually utilize the simplest form of adsorption isotherms such as Langmuir or improved dual-site Langmuir, which eventually cannot predict the real behavior of mixture diffusion particularly at high concentrations of adsorbates because of ignoring nonideality in the adsorbed phase. An isotherm model with regard to the real behavior of the adsorbed phase, which is based on the vacancy solution theory (VST and considers adsorbate-adsorbent interactions, is employed. The objective of this study is applying vacancy solution theory to pure component data, calculating thermodynamic factor (Г, and finally evaluating the simulation results by comparison with literature. Vacancy solution theory obviously predicts thermodynamic factor better than simple models such as dual-site Langmuir.

  5. Large-time behavior of solutions to a reaction-diffusion system with distributed microstructure

    NARCIS (Netherlands)

    Muntean, A.

    2009-01-01

    Abstract We study the large-time behavior of a class of reaction-diffusion systems with constant distributed microstructure arising when modeling diffusion and reaction in structured porous media. The main result of this Note is the following: As t ¿ 8 the macroscopic concentration vanishes, while

  6. Determination of the diffusion coefficient of oxygen in sodium chloride solutions with a transient pulse technique

    NARCIS (Netherlands)

    van Stroe, A.J.; Janssen, L.J.J.

    1993-01-01

    An accurate and rapid method for detg. the diffusion coeffs. of electrochem. active gases in electrolytes is described. The technique is based on chronoamperometry where transient currents are measured and interpreted with a Cottrell-related equation. The diffusion coeffs. of oxygen were detd. for

  7. Probing the surface swelling in ultra-thin supported polystyrene films during case II diffusion of n-hexane

    NARCIS (Netherlands)

    Ogieglo, Wojciech; Wormeester, Herbert; Wessling, Matthias; Benes, Nieck Edwin

    2013-01-01

    In situ time-resolved spectroscopic ellipsometry is used to study the dynamics of n-hexane diffusion into, and the corresponding induced swelling of, ultra-thin polystyrene films. The experimental conditions are carefully selected to facilitate the observation of anomalous Case II diffusion in the

  8. Aqueous pathways dominate permeation of solutes across Pisum sativum seed coats and mediate solute transport via diffusion and bulk flow of water.

    Science.gov (United States)

    Niemann, Sylvia; Burghardt, Markus; Popp, Christian; Riederer, Markus

    2013-05-01

    The permeability of seed coats to solutes either of biological or anthropogenic origin plays a major role in germination, seedling growth and seed treatment by pesticides. An experimental set-up was designed for investigating the mechanisms of seed coat permeation, which allows steady-state experiments with isolated seed coats of Pisum sativum. Permeances were measured for a set of organic model compounds with different physicochemical properties and sizes. The results show that narrow aqueous pathways dominate the diffusion of solutes across pea seed coats, as indicated by a correlation of permeances with the molecular sizes of the compounds instead of their lipophilicity. Further indicators for an aqueous pathway are small size selectivity and a small effect of temperature on permeation. The application of an osmotic water potential gradient across isolated seed coats leads to an increase in solute transfer, indicating that the aqueous pathways form a water-filled continuum across the seed coat allowing the bulk flow of water. Thus, the uptake of organic solutes across pea testae has two components: (1) by diffusion and (2) by bulk water inflow, which, however, is relevant only during imbibition. © 2012 Blackwell Publishing Ltd.

  9. Molecular theory for nuclear magnetic relaxation in protein solutions and tissue; Surface diffusion and free-volume analogy

    Energy Technology Data Exchange (ETDEWEB)

    Kimmich, R; Nusser, W; Gneiting, T [Ulm Universitaet (Federal Republic of Germany). Sektion Kernresonanzspektroskopie

    1990-04-01

    A model theory is presented explaining a series of striking phenomena observed with nuclear magnetic relaxation in protein systems such as solutions or tissue. The frequency, concentration and temperature dependences of proton or deuteron relaxation times of protein solutions and tissue are explained. It is concluded that the translational diffusion of water molecules along the rugged surfaces of proteins and, to a minor degree, protein backbone fluctuations are crucial processes. The rate limiting factor of macromolecular tumbling is assumed to be given by the free water content in a certain analogy to the free-volume model of Cohen ad Turnbull. There are two characteristic water mass fractions indicating the saturation of the hydration shells and the onset of protein tumbling. A closed and relatively simple set of relaxation formulas is presented. The potentially fractal nature of the diffusion of water molecules on the protein surface is discussed. (author). 43 refs.; 4 figs.

  10. Ionic Diffusion and Kinetic Homogeneous Chemical Reactions in the Pore Solution of Porous Materials with Moisture Transport

    DEFF Research Database (Denmark)

    Johannesson, Björn

    2009-01-01

    Results from a systematic continuum mixture theory will be used to establish the governing equations for ionic diffusion and chemical reactions in the pore solution of a porous material subjected to moisture transport. The theory in use is the hybrid mixture theory (HMT), which in its general form......’s law of diffusion and the generalized Darcy’s law will be used together with derived constitutive equations for chemical reactions within phases. The mass balance equations for the constituents and the phases together with the constitutive equations gives the coupled set of non-linear differential...... general description of chemical reactions among constituents is described. The Petrov – Galerkin approach are used in favour of the standard Galerkin weighting in order to improve the solution when the convective part of the problem is dominant. A modified type of Newton – Raphson scheme is derived...

  11. Diffusive gradient in thin FILMS (DGT) compared with soil solution and labile uranium fraction for predicting uranium bioavailability to ryegrass.

    Science.gov (United States)

    Duquène, L; Vandenhove, H; Tack, F; Van Hees, M; Wannijn, J

    2010-02-01

    The usefulness of uranium concentration in soil solution or recovered by selective extraction as unequivocal bioavailability indices for uranium uptake by plants is still unclear. The aim of the present study was to test if the uranium concentration measured by the diffusive gradient in thin films (DGT) technique is a relevant substitute for plant uranium availability in comparison to uranium concentration in the soil solution or uranium recovered by ammonium acetate. Ryegrass (Lolium perenne L. var. Melvina) is grown in greenhouse on a range of uranium spiked soils. The DGT-recovered uranium concentration (C(DGT)) was correlated with uranium concentration in the soil solution or with uranium recovered by ammonium acetate extraction. Plant uptake was better predicted by the summed soil solution concentrations of UO(2)(2+), uranyl carbonate complexes and UO(2)PO(4)(-). The DGT technique did not provide significant advantages over conventional methods to predict uranium uptake by plants. Copyright 2009 Elsevier Ltd. All rights reserved.

  12. Diffusive gradient in thin FILMS (DGT) compared with soil solution and labile uranium fraction for predicting uranium bioavailability to ryegrass

    Energy Technology Data Exchange (ETDEWEB)

    Duquene, L. [SCK-CEN, Biosphere Impact Studies, Boeretang 200, B-2400 Mol (Belgium); Vandenhove, H., E-mail: hvandenh@sckcen.b [SCK-CEN, Biosphere Impact Studies, Boeretang 200, B-2400 Mol (Belgium); Tack, F. [Ghent University, Laboratory for Analytical Chemistry and Applied Ecochemistry, Coupure Links 653, B-9000 Gent (Belgium); Van Hees, M.; Wannijn, J. [SCK-CEN, Biosphere Impact Studies, Boeretang 200, B-2400 Mol (Belgium)

    2010-02-15

    The usefulness of uranium concentration in soil solution or recovered by selective extraction as unequivocal bioavailability indices for uranium uptake by plants is still unclear. The aim of the present study was to test if the uranium concentration measured by the diffusive gradient in thin films (DGT) technique is a relevant substitute for plant uranium availability in comparison to uranium concentration in the soil solution or uranium recovered by ammonium acetate. Ryegrass (Lolium perenne L. var. Melvina) is grown in greenhouse on a range of uranium spiked soils. The DGT-recovered uranium concentration (C{sub DGT}) was correlated with uranium concentration in the soil solution or with uranium recovered by ammonium acetate extraction. Plant uptake was better predicted by the summed soil solution concentrations of UO{sub 2}{sup 2+}, uranyl carbonate complexes and UO{sub 2}PO{sub 4}{sup -}. The DGT technique did not provide significant advantages over conventional methods to predict uranium uptake by plants.

  13. Diffusive gradient in thin FILMS (DGT) compared with soil solution and labile uranium fraction for predicting uranium bioavailability to ryegrass

    International Nuclear Information System (INIS)

    Duquene, L.; Vandenhove, H.; Tack, F.; Van Hees, M.; Wannijn, J.

    2010-01-01

    The usefulness of uranium concentration in soil solution or recovered by selective extraction as unequivocal bioavailability indices for uranium uptake by plants is still unclear. The aim of the present study was to test if the uranium concentration measured by the diffusive gradient in thin films (DGT) technique is a relevant substitute for plant uranium availability in comparison to uranium concentration in the soil solution or uranium recovered by ammonium acetate. Ryegrass (Lolium perenne L. var. Melvina) is grown in greenhouse on a range of uranium spiked soils. The DGT-recovered uranium concentration (C DGT ) was correlated with uranium concentration in the soil solution or with uranium recovered by ammonium acetate extraction. Plant uptake was better predicted by the summed soil solution concentrations of UO 2 2+ , uranyl carbonate complexes and UO 2 PO 4 - . The DGT technique did not provide significant advantages over conventional methods to predict uranium uptake by plants.

  14. Analytical solution of spatial kinetics of the diffusion model for subcritical homogeneous systems driven by external source

    International Nuclear Information System (INIS)

    Oliveira, Fernando Luiz de

    2008-01-01

    This work describes an analytical solution obtained by the expansion method for the spatial kinetics using the diffusion model with delayed emission for source transients in homogeneous media. In particular, starting from simple models, and increasing the complexity, numerical results were obtained for different types of source transients. An analytical solution of the one group without precursors was solved, followed by considering one precursors family. The general case of G-groups with R families of precursor although having a closed form solution, cannot be solved analytically, since there are no explicit formulae for the eigenvalues, and numerical methods must be used to solve such problem. To illustrate the general solution, the multi-group (three groups) time-dependent problem without precursors was solved and the numerical results of a finite difference code were compared with the exact results for different transients. (author)

  15. Influence of convection on the diffusive transport and sieving of water and small solutes across the peritoneal membrane.

    Science.gov (United States)

    Asghar, Ramzana B; Diskin, Ann M; Spanel, Patrik; Smith, David; Davies, Simon J

    2005-02-01

    The three-pore model of peritoneal membrane physiology predicts sieving of small solutes as a result of the presence of a water-exclusive pathway. The purpose of this study was to measure the diffusive and convective components of small solute transport, including water, under differing convection. Triplicate studies were performed in eight stable individuals using 2-L exchanges of bicarbonate buffered 1.36 or 3.86% glucose and icodextrin. Diffusion of water was estimated by establishing an artificial gradient of deuterated water (HDO) between blood/body water and the dialysate. (125)RISA (radio-iodinated serum albumin) was used as an intraperitoneal volume marker to determine the net ultrafiltration and reabsorption of fluid. The mass transfer area coefficient (MTAC) for HDO and solutes was estimated using the Garred and Waniewski equations. The MTAC of HDO calculated for 1.36% glucose and icodextrin were similar (36.8 versus 39.7 ml/min; P = 0.3), whereas for other solutes, values obtained using icodextrin were consistently higher (P solutes is a reflection of their sieving. The increase in the MTAC of water and urea associated with an increase in convection is most likely due to increased mixing within the interstitium.

  16. Numerical Solutions of Singularly Perturbed Reaction Diffusion Equation with Sobolev Gradients

    Directory of Open Access Journals (Sweden)

    Nauman Raza

    2013-01-01

    Full Text Available Critical points related to the singular perturbed reaction diffusion models are calculated using weighted Sobolev gradient method in finite element setting. Performance of different Sobolev gradients has been discussed for varying diffusion coefficient values. A comparison is shown between the weighted and unweighted Sobolev gradients in two and three dimensions. The superiority of the method is also demonstrated by showing comparison with Newton's method.

  17. Nonlinear reaction-diffusion systems conditional symmetry, exact solutions and their applications in biology

    CERN Document Server

    Cherniha, Roman

    2017-01-01

    This book presents several fundamental results in solving nonlinear reaction-diffusion equations and systems using symmetry-based methods. Reaction-diffusion systems are fundamental modeling tools for mathematical biology with applications to ecology, population dynamics, pattern formation, morphogenesis, enzymatic reactions and chemotaxis. The book discusses the properties of nonlinear reaction-diffusion systems, which are relevant for biological applications, from the symmetry point of view, providing rigorous definitions and constructive algorithms to search for conditional symmetry (a nontrivial generalization of the well-known Lie symmetry) of nonlinear reaction-diffusion systems. In order to present applications to population dynamics, it focuses mainly on two- and three-component diffusive Lotka-Volterra systems. While it is primarily a valuable guide for researchers working with reaction-diffusion systems  and those developing the theoretical aspects of conditional symmetry conception,...

  18. Contribution to the study of the role of diffusion in the growth of crystals from solution; Contribution a l'etude du role de la diffusion dans la croissance des cristaux a partir de solution

    Energy Technology Data Exchange (ETDEWEB)

    Quivy, M [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1965-12-01

    In the case of the two-dimensional growth of crystals from solution, the concentration distribution could be explained on the basis of Fick diffusion equation. The limiting conditions are defined in a satisfactory way, and the curves of equal concentration in the solution surrounding the crystal are calculated using a resistance network device. These curves are similar to the observed interference fringes. The limiting conditions are different according as to whether the type of crystal growth is regular or dendritic. In this work the growth rate of the crystal faces in solution has been measured for various substances. These direct measurements were carried out using a micrometric eye-piece and chrono-photographs. The interferential method using polarized light has been used for determining the concentration distribution in the neighbourhood of the crystal; it was thereby possible, knowing the diffusion coefficient, to calculate the growth rate and to observe the existence of a disagreement, of the order of two, with the direct measurements. This discrepancy can even attain a value of ten in the case of very soluble substances; these latter have been studied by R. ITTI. (author) [French] Dans le cas de la croissance a deux dimensions de cristaux a partir de solution, la distribution des concentrations pouvait etre expliquee a partir de l'equation de diffusion de FICK. En fixant les conditions aux limites de facon convenable, on calcule, au moyen d'un dispositif a reseaux resistifs, les courbes d'egale concentration de la solution entourant le cristal. On constate que ces courbes sont semblables aux franges d'interferences observees. Les conditions aux limites sont differentes suivant que le type de croissance du cristal est regulier ou dendritique. Dans ce travail, on a egalement mesure les vitesses de croissance des faces cristallines a partir de solutions, en employant differentes substances. Ces mesures directes ont ete effectuees au moyen d'un oculaire

  19. Electron Tunneling in Lithium Ammonia Solutions Probed by Frequency-Dependent Electron-Spin Relaxation Studies

    Science.gov (United States)

    Maeda, Kiminori; Lodge, Matthew T.J.; Harmer, Jeffrey; Freed, Jack H.; Edwards, Peter P.

    2012-01-01

    Electron transfer or quantum tunneling dynamics for excess or solvated electrons in dilute lithium-ammonia solutions have been studied by pulse electron paramagnetic resonance (EPR) spectroscopy at both X- (9.7 GHz) and W-band (94 GHz) frequencies. The electron spin-lattice (T1) and spin-spin (T2) relaxation data indicate an extremely fast transfer or quantum tunneling rate of the solvated electron in these solutions which serves to modulate the hyperfine (Fermi-contact) interaction with nitrogen nuclei in the solvation shells of ammonia molecules surrounding the localized, solvated electron. The donor and acceptor states of the solvated electron in these solutions are the initial and final electron solvation sites found before, and after, the transfer or tunneling process. To interpret and model our electron spin relaxation data from the two observation EPR frequencies requires a consideration of a multi-exponential correlation function. The electron transfer or tunneling process that we monitor through the correlation time of the nitrogen Fermi-contact interaction has a time scale of (1–10)×10−12 s over a temperature range 230–290K in our most dilute solution of lithium in ammonia. Two types of electron-solvent interaction mechanisms are proposed to account for our experimental findings. The dominant electron spin relaxation mechanism results from an electron tunneling process characterized by a variable donor-acceptor distance or range (consistent with such a rapidly fluctuating liquid structure) in which the solvent shell that ultimately accepts the transferring electron is formed from random, thermal fluctuations of the liquid structure in, and around, a natural hole or Bjerrum-like defect vacancy in the liquid. Following transfer and capture of the tunneling electron, further solvent-cage relaxation with a timescale of ca. 10−13 s results in a minor contribution to the electron spin relaxation times. This investigation illustrates the great potential

  20. Electron tunneling in lithium-ammonia solutions probed by frequency-dependent electron spin relaxation studies.

    Science.gov (United States)

    Maeda, Kiminori; Lodge, Matthew T J; Harmer, Jeffrey; Freed, Jack H; Edwards, Peter P

    2012-06-06

    Electron transfer or quantum tunneling dynamics for excess or solvated electrons in dilute lithium-ammonia solutions have been studied by pulse electron paramagnetic resonance (EPR) spectroscopy at both X- (9.7 GHz) and W-band (94 GHz) frequencies. The electron spin-lattice (T(1)) and spin-spin (T(2)) relaxation data indicate an extremely fast transfer or quantum tunneling rate of the solvated electron in these solutions which serves to modulate the hyperfine (Fermi-contact) interaction with nitrogen nuclei in the solvation shells of ammonia molecules surrounding the localized, solvated electron. The donor and acceptor states of the solvated electron in these solutions are the initial and final electron solvation sites found before, and after, the transfer or tunneling process. To interpret and model our electron spin relaxation data from the two observation EPR frequencies requires a consideration of a multiexponential correlation function. The electron transfer or tunneling process that we monitor through the correlation time of the nitrogen Fermi-contact interaction has a time scale of (1-10) × 10(-12) s over a temperature range 230-290 K in our most dilute solution of lithium in ammonia. Two types of electron-solvent interaction mechanisms are proposed to account for our experimental findings. The dominant electron spin relaxation mechanism results from an electron tunneling process characterized by a variable donor-acceptor distance or range (consistent with such a rapidly fluctuating liquid structure) in which the solvent shell that ultimately accepts the transferring electron is formed from random, thermal fluctuations of the liquid structure in, and around, a natural hole or Bjerrum-like defect vacancy in the liquid. Following transfer and capture of the tunneling electron, further solvent-cage relaxation with a time scale of ∼10(-13) s results in a minor contribution to the electron spin relaxation times. This investigation illustrates the great

  1. Long Range Polymer Chain Dynamics of Highly Flexible Polysiloxane in Solution Probed by Pyrene Excimer Fluorescence

    Directory of Open Access Journals (Sweden)

    Janine L. Thoma

    2018-03-01

    Full Text Available A poly(dimethylsiloxane-co-(3-aminopropylmethylsiloxane polymer (PDMS with 20.3 mol % of (3-aminopropylmethyl siloxane monomer has been labeled randomly with 1-pyreneacetyl groups to generate a series of polysiloxanes (Py-PDMS with pyrenyl contents ranging from 0.7 mol % to 5.2 mol % of the total number of structural units. The remainder of the amino groups were acetylated to avoid intra-chain quenching of the excited singlet states of pyrene via exciplex formation with free amino groups while allowing the formation of excimers to proceed. The fluorescence spectra and temporal decays of the Py-PDMS samples were acquired in tetrahydrofuran (THF, N,N-dimethylformamide (DMF, and dioxane. blob, the average rate constant for intra-chain pyrene excimer formation, was determined from the analysis of the fluorescence decays. blob was found to equal 1.16 (±0.13 × 109, 1.14 (±0.12 × 109, and 0.99 (±0.10 × 109 s−1 in THF, DMF, and dioxane, respectively, at room temperature. They are the largest values found to date for any polymeric backbone in these solvents. The qualitative relationship found here between blob and the chemical structures of the polymers indicates that the luminescence characteristics of randomly labeled polymers is a very useful method to probe the long range dynamics of chains of almost any polymer that is amenable to substitution by a lumophore.

  2. Structural properties of glucose-dimethylsulfoxide solutions probed by Raman spectroscopy

    Science.gov (United States)

    Paolantoni, Marco; Gallina, Maria Elena; Sassi, Paola; Morresi, Assunta

    2009-04-01

    Raman spectroscopy was employed to achieve a molecular level description of solvation properties in glucose-dimethylsulfoxide (DMSO) solutions. The analysis of Raman spectra confirms the importance of the dipole-dipole interaction in determining structural properties of pure DMSO; the overall intermolecular structure is maintained in the whole 20-75 °C temperature range investigated. The blueshift of the CH stretching modes observed at higher temperatures points out that CH3⋯O contacts contribute to the cohesive energy of the DMSO liquid system. The addition of glucose perturbs the intermolecular ordering of DMSO owing to the formation of stable solute-solvent hydrogen bonds. The average number of OH⋯OS contacts (3.2±0.3) and their corresponding energy (˜20 kJ/mol) were estimated. Besides, the concentration dependence of the CH stretching bands and the behavior of the noncoincidence effect on the SO band, suggest that the dipole-dipole and CH3⋯O interactions among DMSO molecules are disfavored within the glucose solvation layer. These findings contribute to improve our understanding about the microscopic origin of solvent properties of DMSO toward more complex biomolecular systems.

  3. Asymptotic solutions of numerical transport problems in optically thick, diffusive regimes

    International Nuclear Information System (INIS)

    Larsen, E.W.; Morel, J.E.; Miller, W.F. Jr.

    1987-01-01

    We present an asymptotic analysis of spatial differencing schemes for the discrete-ordinates equations, for diffusive media with spatial cells that are not optically thin. Our theoretical tool is an asymptotic expansion that has previously been used to describe the transform from analytic transport to analytic diffusion theory for such media. To introduce this expansion and its physical rationale, we first describe it for the analytic discrete-ordinates equations. Then, we apply the expansion to the spatially discretized discrete-ordinates equations, with the spatial mesh scaled in either of two physically relevant ways such that the optical thickness of the spatial cells is not small. If the result of either expansion is a legitimate diffusion description for either the cell-averaged or cell-edge fluxes, then we say that the approximate flux has the appropriate diffusion limit; otherwise, we say it does not. We consider several transport differencing schemes that are applicable in neutron transport and thermal radiation applications. We also include numerical results which demonstrate the validity of our theory and show that differencing schemes that do have a particular diffusion limit are substantially more accurate, in the regime described by the limit, than those that do not. copyright 1987 Academic Press, Inc

  4. Non probabilistic solution of uncertain neutron diffusion equation for imprecisely defined homogeneous bare reactor

    International Nuclear Information System (INIS)

    Chakraverty, S.; Nayak, S.

    2013-01-01

    Highlights: • Uncertain neutron diffusion equation of bare square homogeneous reactor is studied. • Proposed interval arithmetic is extended for fuzzy numbers. • The developed fuzzy arithmetic is used to handle uncertain parameters. • Governing differential equation is modelled by modified fuzzy finite element method. • Fuzzy critical eigenvalues and effective multiplication factors are investigated. - Abstract: The scattering of neutron collision inside a reactor depends upon geometry of the reactor, diffusion coefficient and absorption coefficient etc. In general these parameters are not crisp and hence we get uncertain neutron diffusion equation. In this paper we have investigated the above equation for a bare square homogeneous reactor. Here the uncertain governing differential equation is modelled by a modified fuzzy finite element method. Using modified fuzzy finite element method, obtained eigenvalues and effective multiplication factors are studied. Corresponding results are compared with the classical finite element method in special cases and various uncertain results have been discussed

  5. Enhanced diffusion of solute metals forming complexes with radiation defects in silica

    International Nuclear Information System (INIS)

    Pivin, J.C.; Garrido, E.; Rizza, G.; Thome, L.

    1998-01-01

    The mixing kinetics of Cu, Ag, W, Pt, and Au single layers embedded in silica when irradiated with heavy ions at temperatures (T) of 110 and 300 K was investigated by means of in situ RBS analyses in alternation with irradiations. The spreading of peaks related to the metallic species is generally anisotropic and obeys either a quadratic or a linear dependence on the ion dose according to the increasing T. The quadratic law is attributed to a control of the diffusion by the coupling of the large impurity atoms M with matrix defects, and a classical regime of radiation enhanced diffusion is observed when this coupling is made easier (higher T or mass of M). Other factors such as internal stresses affect the rates of M dissolution and diffusion. (orig.)

  6. Solution of the neutron diffusion equation at two groups of energy by method of triangular finite elements

    International Nuclear Information System (INIS)

    Correia Filho, A.

    1981-04-01

    The Neutron Diffusion Equation at two groups of energy is solved with the use of the Finite - Element Method with first order triangular elements. The program EFTDN (Triangular Finite Elements on Neutron Diffusion) was developed using the language FORTRAN IV. The discrete formulation of the Diffusion Equation is obtained with the application of the Galerkin's Method. In order to solve the eigenvalue - problem, the Method of the Power is applied and, with the purpose of the convergence of the results, Chebshev's polynomial expressions are applied. On the solution of the systems of equations Gauss' Method is applied, divided in two different parts: triangularization of the matrix of coeficients and retrosubstitution taking in account the sparsity of the system. Several test - problems are solved, among then two P.W.R. type reactors, the ZION-1 with 1300 MWe and the 2D-IAEA - Benchmark. Comparision of results with standard solutions show the validity of application of the EFM and precision of the results. (Author) [pt

  7. Numerical solution of the equation of neutrons transport on plane geometry by analytical schemes using acceleration by synthetic diffusion

    International Nuclear Information System (INIS)

    Alonso-Vargas, G.

    1991-01-01

    A computer program has been developed which uses a technique of synthetic acceleration by diffusion by analytical schemes. Both in the diffusion equation as in that of transport, analytical schemes were used which allowed a substantial time saving in the number of iterations required by source iteration method to obtain the K e ff. The program developed ASD (Synthetic Diffusion Acceleration) by diffusion was written in FORTRAN and can be executed on a personal computer with a hard disc and mathematical O-processor. The program is unlimited as to the number of regions and energy groups. The results obtained by the ASD program for K e ff is nearly completely concordant with those of obtained utilizing the ANISN-PC code for different analytical type problems in this work. The ASD program allowed obtention of an approximate solution of the neutron transport equation with a relatively low number of internal reiterations with good precision. One of its applications would be in the direct determinations of axial distribution neutronic flow in a fuel assembly as well as in the obtention of the effective multiplication factor. (Author)

  8. Modeling long-term leaching experiments of full scale cemented wastes: effect of solution composition on diffusion

    International Nuclear Information System (INIS)

    Borkel, C.; Montoya, V.; Kienzler, B.

    2015-01-01

    The code PHREECQ V3.1 has been used to simulate leaching experiments performed with cemented simulated waste products in tap water for more than 30 years. In this work the main focus is related with the leaching of Cs explained by diffusion processes. A simplifying model using the code PHREECQ V3.1 was used to investigate the influence of different parameters on the release of Cs from the cement solid to the leaching solution. The model setup bases on four main assumptions: a) the solid as well as the distribution of Cs is homogeneous and of isotropic texture, b) there is no preferential direction regarding cement degradation or water intrusion into the solid, c) the pore space is entirely connected and d) Cs adsorption to the cement or container is negligible. In the modeling the constraint of charge balance was stressed. Effective diffusion coefficients (D e ) were obtained analytically and from modeling the diffusive release of Cs from cemented waste simulates. The obtained values D e for Cs leaching are in perfect agreement with the values published in literature. Contradictory results to diffusive release were obtained from XRD analysis of the solids, suggesting that water may not have penetrated the cement monoliths entirely, but only to some centimeters depth. XRD analysis have been done to determine the solid phases present in cement and are used to help outlining strength and weaknesses of the different models

  9. Influence of fructose on the diffusion of potassium hydrogen phosphate in aqueous solutions at 25 °C

    International Nuclear Information System (INIS)

    Verissimo, Luis M.P.; Teigão, Joana M.M.; Ramos, M. Luísa; Burrows, Hugh D.; Esteso, Miguel A.; Ribeiro, Ana C.F.

    2016-01-01

    Highlights: • Diffusion coefficients of aqueous systems of fructose and potassium hydrogen phosphate measured with Lobo’s cell. • Influence of the fructose on the diffusion of potassium hydrogen phosphate. • Interactions between of hydrogen phosphate anion and fructose. - Abstract: Diffusion coefficients have been measured at 25 °C for potassium hydrogen phosphate (K_2HPO_4, 0.101 mol kg"−"1) in aqueous solutions containing various concentrations of fructose from (0.001 to 0.101) mol kg"−"1, using a conductimetric cell (the Lobo cell) coupled to an automatic data acquisition system. Significant effects of fructose were observed on the diffusion of K_2HPO_4 in these mixtures, which are attributed to the interaction between HPO_4"2"− anion (or other protonated forms) and fructose. Support for this comes from "1H and "1"3C NMR spectroscopy, which are compatible with binding between the anomeric forms of D-fructose and the HPO_4"2"− anion.

  10. New self-similar radiation-hydrodynamics solutions in the high-energy density, equilibrium diffusion limit

    International Nuclear Information System (INIS)

    Lane, Taylor K; McClarren, Ryan G

    2013-01-01

    This work presents semi-analytic solutions to a radiation-hydrodynamics problem of a radiation source driving an initially cold medium. Our solutions are in the equilibrium diffusion limit, include material motion and allow for radiation-dominated situations where the radiation energy is comparable to (or greater than) the material internal energy density. As such, this work is a generalization of the classical Marshak wave problem that assumes no material motion and that the radiation energy is negligible. Including radiation energy density in the model serves to slow down the wave propagation. The solutions provide insight into the impact of radiation energy and material motion, as well as present a novel verification test for radiation transport packages. As a verification test, the solution exercises the radiation–matter coupling terms and their v/c treatment without needing a hydrodynamics solve. An example comparison between the self-similar solution and a numerical code is given. Tables of the self-similar solutions are also provided. (paper)

  11. Discrete maximum principle for FE solutions of the diffusion-reaction problem on prismatic meshes

    Czech Academy of Sciences Publication Activity Database

    Hannukainen, A.; Korotov, S.; Vejchodský, Tomáš

    2009-01-01

    Roč. 226, č. 2 (2009), s. 275-287 ISSN 0377-0427 R&D Projects: GA AV ČR IAA100760702 Institutional research plan: CEZ:AV0Z10190503 Keywords : diffusion-reaction problem * maximum principle * prismatic finite elements Subject RIV: BA - General Mathematics Impact factor: 1.292, year: 2009

  12. Integrated Solution in an Office Room with Diffuse Ceiling Ventilation and Thermally Activated Building Constructions

    DEFF Research Database (Denmark)

    Zhang, Chen; Heiselberg, Per Kvols; Pomianowski, Michal Zbigniew

    2015-01-01

    -scale experiments in a climate chamber. The experimental results indicate that diffuse ceiling can significantly improve thermal comfort in the occupied zone, by reducing draught risk and vertical temperature gradient. The linear function between pressure drop and air change rate points out that the air flow...

  13. Diffusion-weighted MR neurography of the tibial nerve and the common peroneal nerve with different motion probing gradients

    International Nuclear Information System (INIS)

    Zhao Lianxin; Wang Guangbin; Liu Yubo; Wu Lebin; Bai Xue; Yang Li; Chen Weibo

    2014-01-01

    Objective: To compare the image quality of diffusion-weighted MR neurography (DW-MRN) of the tibial nerve and the common peroneal nerve prospectively using different motion probing gradients (MPGs). Methods: A total of 21 healthy volunteers underwent DW-MRN at the knee (unilateral imaging) on a 3.0 T magnetic resonance system with unidirectional MPGs. The protocol included anterior-posterior unidirectional, right-left unidirectional, three-directional and six-directional MPGs. The apparent SNR and CNR of tibial nerve and common peroneal nerve were calculated. Three-dimensional MIP images of the nerves were evaluated blindly by two radiologists using a four-point grading scale on basis of entirety depiction and the signal intensity. Significance was determined by using Friedman and paired Wilcoxon tests. Results: The SNR of tibial nerves on DW-MRN with anterior-posterior, right-left, three directional and six directional MPGs were 4.17 (2.70-5.65), 4.35 (0.47-4.69), 3.46 (2.27-4.62) and 3.30 (2.06-4.43), respectively. CNR were 0.61 (0.46-0.70), 0.63 (0.36-0.73), 0.55 (0.39-0.64) and 0.53(0.35-0.63), respectively. The scores of tibial nerve image quality were 4.0 (2.0-4.0), 4.0 (3.0-4.0), 2.5 (2.0-3.5), 2.0 (1.0-2.5), respectively. Interobserver agreement was good and the Kappa value was 0.69 (P<0.05). The SNR of the common peroneal nerves on DW-MRN with anterior-posterior, right-left, three directional and six directional MPGs were 3.05 (2.30-4.20), 3.05 (2.26-4.34), 2.72 (1.84-13.80) and 2.68 (1.87-3.67), respectively. CNR were 0.51 (0.39-0.62), 0.51 (0.39-0.63), 0.46(0.30-0.86) and 0.46 (0.30-0.57), respectively. The scores of the common peroneal nerve image quality were 3.5 (2.0-4.0), 4.0 (2.0-4.0), 2.0 (1.0-3.0) and 2.0 (1.0-2.5), respectively. Interobserver agreement was good and the Kappa value was 0.70 (P<0.05). For SNR, CNR and nerve image quality of the tibial nerves and the common peroneal nerves, there were significant differences among different MPGs (

  14. Formulation of Low Peclet Number Based Grid Expansion Factor for the Solution of the Convection Diffusion Equation

    Directory of Open Access Journals (Sweden)

    A. Abdullah

    2018-04-01

    Full Text Available Convection-diffusion problems, due to its fundamental nature, are found in various science and engineering applications. In this research, the importance of the relationship between grid structure and flow parameters in such problems is emphasized. In particular, we propose a systematic technique in the selection of the grid expansion factor based on its logarithmic relationship with low Peclet number. Such linear mathematical connection between the two non-dimensional parameters serves as a guideline for more structured decision-making and improves the heuristic process in the determination of the computational domain grid for the numerical solution of convection-diffusion equations especially in the prediction of the concentration of the scalar. Results confirm the effectiveness of the new approach.

  15. Extensive Turnover of Compatible Solutes in Cyanobacteria Revealed by Deuterium Oxide (D_2O) Stable Isotope Probing

    International Nuclear Information System (INIS)

    Baran, Richard; Lau, Rebecca; Bowen, Benjamin P.; Diamond, Spencer; Jose, Nick

    2017-01-01

    In diverse environments on a global scale cyanobacteria are important primary producers of organic matter. Moreover, while mechanisms of CO_2 fixation are well understood, the distribution of the flow of fixed organic carbon within individual cells and complex microbial communities is less well characterized. To obtain a general overview of metabolism, we describe the use of deuterium oxide (D_2O) to measure deuterium incorporation into the intracellular metabolites of two physiologically diverse cyanobacteria: a terrestrial filamentous strain (Microcoleus vaginatus PCC 9802) and a euryhaline unicellular strain (Synechococcus sp. PCC 7002). D_2O was added to the growth medium during different phases of the diel cycle. Incorporation of deuterium into metabolites at nonlabile positions, an indicator of metabolite turnover, was assessed using liquid chromatography mass spectrometry. Expectedly, large differences in turnover among metabolites were observed. Some metabolites, such as fatty acids, did not show significant turnover over 12–24 h time periods but did turn over during longer time periods. Unexpectedly, metabolites commonly regarded to act as compatible solutes, including glutamate, glucosylglycerol, and a dihexose, showed extensive turnover compared to most other metabolites already after 12 h, but only during the light phase in the cycle. We observed extensive turnover and found it surprising considering the conventional view on compatible solutes as biosynthetic end points given the relatively slow growth and constant osmotic conditions. Our suggests the possibility of a metabolic sink for some compatible solutes (e.g., into glycogen) that allows for rapid modulation of intracellular osmolarity. To investigate this, uniformly "1"3C-labeled Synechococcus sp. PCC 7002 were exposed to "1"2C glucosylglycerol. Following metabolite extraction, amylase treatment of methanol-insoluble polymers revealed "1"2C labeling of glycogen. Overall, our work shows that D_2

  16. Discrete ordinates solution of coupled conductive radiative heat transfer in a two-layer slab with Fresnel interfaces subject to diffuse and obliquely collimated irradiation

    International Nuclear Information System (INIS)

    Muresan, Cristian; Vaillon, Rodolphe; Menezo, Christophe; Morlot, Rodolphe

    2004-01-01

    The coupled conductive radiative heat transfer in a two-layer slab with Fresnel interfaces subject to diffuse and obliquely collimated irradiation is solved. The collimated and diffuse components problems are treated separately. The solution for diffuse radiation is obtained by using a composite discrete ordinates method and includes the development of adaptive directional quadratures to overcome the difficulties usually encountered at the interfaces. The complete radiation numerical model is validated against the predictions obtained by using the Monte Carlo method

  17. Phosphorus removal from aqueous solution in parent and aluminum-modified eggshells: thermodynamics and kinetics, adsorption mechanism, and diffusion process.

    Science.gov (United States)

    Guo, Ziyan; Li, Jiuhai; Guo, Zhaobing; Guo, Qingjun; Zhu, Bin

    2017-06-01

    Parent and aluminum-modified eggshells were prepared and characterized with X-ray diffraction, specific surface area measurements, infrared spectroscopy, zeta potential, and scanning electron microscope, respectively. Besides, phosphorus adsorptions in these two eggshells at different temperatures and solution pH were carried out to study adsorption thermodynamics and kinetics as well as the mechanisms of phosphorus adsorption and diffusion. The results indicated that high temperature was favorable for phosphorus adsorption in parent and aluminum-modified eggshells. Alkaline solution prompted phosphorus adsorption in parent eggshell, while the maximum adsorption amount was achievable at pH 4 in aluminum-modified eggshell. Adsorption isotherms of phosphorus in these eggshells could be well described by Langmuir and Freundlich models. Phosphorus adsorption amounts in aluminum-modified eggshell were markedly higher compared to those in parent eggshell. Adsorption heat indicated that phosphorus adsorption in parent eggshell was a typically physical adsorption process, while chemical adsorption mechanism of ion exchange between phosphorus and hydroxyl groups on the surface of eggshells was dominated in aluminum-modified eggshell. The time-resolved uptake curves showed phosphorus adsorption in aluminum-modified eggshell was significantly faster than that in parent eggshell. Moreover, there existed two clear steps in time-resolved uptake curves of phosphorus in parent eggshell. Based on pseudo-second order kinetic model and intraparticle diffusion model, we inferred more than one process affected phosphorus adsorption. The first process was the diffusion of phosphorus through water to external surface and the opening of pore channel in the eggshells, and the second process was mainly related to intraparticle diffusion.

  18. PFG-NMR self-diffusion in casein dispersions: effect of probe size and protein aggregate size

    NARCIS (Netherlands)

    Salami, S.; Rondeau, C.; Duynhoven, van J.P.M.; Mariette, F.

    2013-01-01

    The self-diffusion coefficients of different molecular weight PEGs (Polyethylene glycol) and casein particles were measured, using a pulsed-gradient nuclear magnetic resonance technique (PFG-NMR), in native phosphocaseinate (NPC) and sodium caseinate (SC) dispersions where caseins are not structured

  19. Solution of linear and nonlinear matrix systems. Application to a nonlinear diffusion equation

    International Nuclear Information System (INIS)

    Bonnet, M.; Meurant, G.

    1978-01-01

    The object of this study is to compare different methods of solving linear and nonlinear algebraic systems and to apply them to the nonlinear system obtained by discretizing a nonlinear diffusion equation. For linear systems the conventional methods of alternating direction type or Gauss Seidel's methods are compared to more recent ones of the type of generalized conjugate gradient; the superiority of the latter is shown by numerical examples. For nonlinear systems, a method of nonlinear conjugate gradient is studied together with Newton's method and some of its variants. It should be noted, however, that Newton's method is found to be more efficient when coupled with a good method for solving the linear system. As a conclusion, these methods are used to solve a nonlinear diffusion problem and the numerical results obtained are compared [fr

  20. Tritons and tritides as the solute and diffusing species in ceramic tritium breeders

    International Nuclear Information System (INIS)

    Fischer, A.K.; Johnson, C.E.

    1987-01-01

    Intragranular diffusion of tritium is an inherent participant in the process of releasing tritium from lithium-containing ceramics that are used to breed tritium in a fusion reactor. The nature of this transport is reviewed in terms of the understanding established for the mechanism of hydrogen migration in other oxides, namely, that the diffusing species is the proton and that it moves from oxide ion to oxide ion, thereby giving rise to apparent hydroxide migration. Analogously, the triton, transiently bonded to successive oxides and forming successive tritoxides, is taken to be the dominant migrating species in ceramic breeders. In addition, tritide becomes a significant participant at low oxygen activity. The relationship of tritons and tritides as the migrating species to the observed release of both reduced and oxidized forms can be understood in terms of the thermodynamic conditions that prevail. Mechanisms exist that can be proposed to rationalize the participation of these species

  1. Studies on the numerical solution of three-dimensional stationary diffusion equations using the finite element method

    International Nuclear Information System (INIS)

    Franke, H.P.

    1976-05-01

    The finite element method is applied to the solution of the stationary 3D group diffusion equations. For this, a programme system with the name of FEM3D is established which also includes a module for semi-automatic mesh generation. Tetrahedral finite elements are used. The neutron fluxes are described by complete first- or second-order Lagrangian polynomials. General homogeneous boundary conditions are allowed. The studies show that realistic three-dimensional problems can be solved at less expense by iterative methods, in particular so when especially adapted matrix handling and storage schemes are used efficiently. (orig./RW) [de

  2. Asymptotic properties of blow-up solutions in reaction-diffusion equations with nonlocal boundary flux

    Science.gov (United States)

    Liu, Bingchen; Dong, Mengzhen; Li, Fengjie

    2018-04-01

    This paper deals with a reaction-diffusion problem with coupled nonlinear inner sources and nonlocal boundary flux. Firstly, we propose the critical exponents on nonsimultaneous blow-up under some conditions on the initial data. Secondly, we combine the scaling technique and the Green's identity method to determine four kinds of simultaneous blow-up rates. Thirdly, the lower and the upper bounds of blow-up time are derived by using Sobolev-type differential inequalities.

  3. A Finite Element Versus Analytical Approach to the Solution of the Current Diffusion Equation in Tokamaks

    Czech Academy of Sciences Publication Activity Database

    Šesnic, S.; Dorić, V.; Poljak, D.; Šušnjara, A.; Artaud, J.F.

    2018-01-01

    Roč. 46, č. 4 (2018), s. 1027-1034 ISSN 0093-3813 R&D Projects: GA MŠk(CZ) 8D15001 Institutional support: RVO:61389021 Keywords : Finite element analysis * Tokamaks * current diffusion equation (CDE) * finite-element method (FEM) Subject RIV: BL - Plasma and Gas Discharge Physics OBOR OECD: Fluids and plasma physics (including surface physics) Impact factor: 1.052, year: 2016

  4. Solution of the multigroup diffusion equation for two-dimensional triangular regions by finite Fourier transformation

    International Nuclear Information System (INIS)

    Takeshi, Y.; Keisuke, K.

    1983-01-01

    The multigroup neutron diffusion equation for two-dimensional triangular geometry is solved by the finite Fourier transformation method. Using the zero-th-order equation of the integral equation derived by this method, simple algebraic expressions for the flux are derived and solved by the alternating direction implicit method. In sample calculations for a benchmark problem of a fast breeder reactor, it is shown that the present method gives good results with fewer mesh points than the usual finite difference method

  5. Application of synthetic diffusion method in the numerical solution of the equations of neutron transport in slab geometry

    International Nuclear Information System (INIS)

    Valdes Parra, J.J.

    1986-01-01

    One of the main problems in reactor physics is to determine the neutron distribution in reactor core, since knowing that, it is possible to calculate the rapidity of occurrence of different nuclear reaction inside the reactor core. Within different theories existing in nuclear reactor physics, is neutron transport the one in which equation who govern the exact behavior of neutronic distribution are developed even inside the proper neutron transport theory, there exist different methods of solution which are approximations to exact solution; still more, with the purpose to reach a more precise solution, the majority of methods have been approached to the obtention of solutions in numerical form with the aim of take the advantages of modern computers, and for this reason a great deal of effort is dedicated to numerical solution of the equations of neutron transport. In agreement with the above mentioned, in this work has been developed a computer program which uses a relatively new techniques known as 'acceleration of synthetic diffusion' which has been applied to solve the neutron transport equation with 'classical schemes of spatial integration' obtaining results with a smaller quantity of interactions, if they compare to done without using such equation (Author)

  6. Hermite interpolant multiscaling functions for numerical solution of the convection diffusion equations

    Directory of Open Access Journals (Sweden)

    Elmira Ashpazzadeh

    2018-04-01

    Full Text Available A numerical technique based on the Hermite interpolant multiscaling functions is presented for the solution of Convection-diusion equations. The operational matrices of derivative, integration and product are presented for multiscaling functions and are utilized to reduce the solution of linear Convection-diusion equation to the solution of algebraic equations. Because of sparsity of these matrices, this method is computationally very attractive and reduces the CPU time and computer memory. Illustrative examples are included to demonstrate the validity and applicability of the new technique.

  7. Study of the Conformational State of Non-Cross-Linked and Cross-Linked Poly(alkylmethyldiallylammonium chlorides) in Aqueous Solution by Fluorescence Probing

    NARCIS (Netherlands)

    Wang, Guang-Jia; Engberts, Jan B.F.N.

    The aggregation behaviour of novel non-cross-linked and cross-linked poly(alkylmethyldiallylammonium chlorides) in aqueous solutions has been investigated by fluorescence spectroscopy using pyrene as a probe. These copolymers were found to exhibit similar aggregate properties as the corresponding

  8. The angular power spectrum of the diffuse gamma-ray background as a probe of Galactic dark matter substructure

    OpenAIRE

    Siegal-Gaskins, Jennifer M.

    2009-01-01

    Dark matter annihilation in Galactic substructure produces diffuse gamma-ray emission of remarkably constant intensity across the sky, and in general this signal dominates over the smooth halo signal at angles greater than a few tens of degrees from the Galactic Center. The large-scale isotropy of the emission from substructure suggests that it may be difficult to extract this Galactic dark matter signal from the extragalactic gamma-ray background. I show that dark matter substructure induces...

  9. Use of ultrafast dispersed pump-dump-probe and pump-repump-probe spectroscopies to explore the light-induced dynamics of peridinin in solution.

    Science.gov (United States)

    Papagiannakis, Emmanouil; Vengris, Mikas; Larsen, Delmar S; van Stokkum, Ivo H M; Hiller, Roger G; van Grondelle, Rienk

    2006-01-12

    Optical pump-induced dynamics of the highly asymmetric carotenoid peridinin in methanol was studied by dispersed pump-probe, pump-dump-probe, and pump-repump-probe transient absorption spectroscopy in the visible region. Dispersed pump-probe measurements show that the decay of the initially excited S2 state populates two excited states, the S1 and the intramolecular charge-transfer (ICT) state, at a ratio determined by the excitation wavelength. The ensuing spectral evolution occurs on the time scale of a few picoseconds and suggests the equilibration of these states. Dumping the stimulated emission of the ICT state with an additional 800-nm pulse after 400- and 530-nm excitation preferentially removes the ICT state contribution from the broad excited-state absorption, allowing for its spectral characterization. At the same time, an unrelaxed ground-state species, which has a subpicosecond lifetime, is populated. The application of the 800-nm pulse at early times, when the S2 state is still populated, led to direct generation of the peridinin cation, observed for the first time in a transient absorption experiment. The excited and ground electronic states manifold of peridinin has been reconstructed using target analysis; this approach combined with the measured multipulse spectroscopic data allows us to estimate the spectra and time scales of the corresponding transient states.

  10. Assessment of protein solution versus crystal structure determination using spin- diffusion-suppressed NOE and heteronuclear relaxation data

    International Nuclear Information System (INIS)

    LeMaster, David M.

    1997-01-01

    A spin-diffusion-suppressed NOE buildup series has been measured for E. coli thioredoxin.The extensive 13C and 15N relaxation data previously reported for this protein allow for direct interpretation of dynamical contributions to the 1H-1H cross-relaxation rates for a large proportion of the NOE cross peaks. Estimates of the average accuracy for these derived NOE distances are bounded by 4% and 10%, based on a comparison to the corresponding X-ray distances. An independent fluctuation model is proposed for prediction of the dynamical corrections to 1H-1H cross-relaxation rates, based solely on experimental structural and heteronuclear relaxation data. This analysis is aided by the demonstration that heteronuclear order parameters greater than 0.6 depend only on the variance of the H-X bond orientation,independent of the motional model in either one- or two-dimensional diffusion (i.e., 1- S2 = 3/4 sin2 2 θσ). The combination of spin-diffusion-suppressed NOE data and analysis of dynamical corrections to 1H-1H cross-relaxation rates based on heteronuclear relaxation data has allowed for a detailed interpretation of various discrepancies between the reported solution and crystal structures

  11. Fem Simulation of Triple Diffusive Natural Convection Along Inclined Plate in Porous Medium: Prescribed Surface Heat, Solute and Nanoparticles Flux

    Directory of Open Access Journals (Sweden)

    Goyal M.

    2017-12-01

    Full Text Available In this paper, triple diffusive natural convection under Darcy flow over an inclined plate embedded in a porous medium saturated with a binary base fluid containing nanoparticles and two salts is studied. The model used for the nanofluid is the one which incorporates the effects of Brownian motion and thermophoresis. In addition, the thermal energy equations include regular diffusion and cross-diffusion terms. The vertical surface has the heat, mass and nanoparticle fluxes each prescribed as a power law function of the distance along the wall. The boundary layer equations are transformed into a set of ordinary differential equations with the help of group theory transformations. A wide range of parameter values are chosen to bring out the effect of buoyancy ratio, regular Lewis number and modified Dufour parameters of both salts and nanofluid parameters with varying angle of inclinations. The effects of parameters on the velocity, temperature, solutal and nanoparticles volume fraction profiles, as well as on the important parameters of heat and mass transfer, i.e., the reduced Nusselt, regular and nanofluid Sherwood numbers, are discussed. Such problems find application in extrusion of metals, polymers and ceramics, production of plastic films, insulation of wires and liquid packaging.

  12. Numerical Solution of Diffusion Models in Biomedical Imaging on Multicore Processors

    Directory of Open Access Journals (Sweden)

    Luisa D'Amore

    2011-01-01

    Full Text Available In this paper, we consider nonlinear partial differential equations (PDEs of diffusion/advection type underlying most problems in image analysis. As case study, we address the segmentation of medical structures. We perform a comparative study of numerical algorithms arising from using the semi-implicit and the fully implicit discretization schemes. Comparison criteria take into account both the accuracy and the efficiency of the algorithms. As measure of accuracy, we consider the Hausdorff distance and the residuals of numerical solvers, while as measure of efficiency we consider convergence history, execution time, speedup, and parallel efficiency. This analysis is carried out in a multicore-based parallel computing environment.

  13. Analytical solution of the multigroup neutron diffusion kinetic equation in one-dimensional cartesian geometry by the integral transform technique

    International Nuclear Information System (INIS)

    Ceolin, Celina

    2010-01-01

    The objective of this work is to obtain an analytical solution of the neutron diffusion kinetic equation in one-dimensional cartesian geometry, to monoenergetic and multigroup problems. These equations are of the type stiff, due to large differences in the orders of magnitude of the time scales of the physical phenomena involved, which make them difficult to solve. The basic idea of the proposed method is applying the spectral expansion in the scalar flux and in the precursor concentration, taking moments and solving the resulting matrix problem by the Laplace transform technique. Bearing in mind that the equation for the precursor concentration is a first order linear differential equation in the time variable, to enable the application of the spectral method we introduce a fictitious diffusion term multiplied by a positive value which tends to zero. This procedure opened the possibility to find an analytical solution to the problem studied. We report numerical simulations and analysis of the results obtained with the precision controlled by the truncation order of the series. (author)

  14. Large-scale fluctuations in the diffusive decomposition of solid solutions

    International Nuclear Information System (INIS)

    Karpov, V.G.; Grimsditch, M.

    1995-01-01

    The concept of an instability in the classic Ostwald ripening theory with respect to compositional fluctuations is suggested. We show that small statistical fluctuations in the precipitate phase lead to gigantic Coulomb-like fluctuations in the solute concentration which in turn affect the ripening. As a result large-scale fluctuations in both the precipitate and solute concentrations appear. These fluctuations are characterized by amplitudes of the order of the average values of the corresponding quantities and by a space scale L∼(na) -1/2 which is considerably greater than both the average nuclear radius and internuclear distance. The Lifshitz-Slyozov theory of ripening is shown to remain locally applicable, over length scales much less than L. The implications of these findings for elastic light scattering in solid solutions that have undergone Ostwald ripening are considered

  15. Large-scale fluctuations in the diffusive decomposition of solid solutions

    Science.gov (United States)

    Karpov, V. G.; Grimsditch, M.

    1995-04-01

    The concept of an instability in the classic Ostwald ripening theory with respect to compositional fluctuations is suggested. We show that small statistical fluctuations in the precipitate phase lead to gigantic Coulomb-like fluctuations in the solute concentration which in turn affect the ripening. As a result large-scale fluctuations in both the precipitate and solute concentrations appear. These fluctuations are characterized by amplitudes of the order of the average values of the corresponding quantities and by a space scale L~(na)-1/2 which is considerably greater than both the average nuclear radius and internuclear distance. The Lifshitz-Slyozov theory of ripening is shown to remain locally applicable, over length scales much less than L. The implications of these findings for elastic light scattering in solid solutions that have undergone Ostwald ripening are considered.

  16. Finite difference solution of the time dependent neutron group diffusion equations

    International Nuclear Information System (INIS)

    Hendricks, J.S.; Henry, A.F.

    1975-08-01

    In this thesis two unrelated topics of reactor physics are examined: the prompt jump approximation and alternating direction checkerboard methods. In the prompt jump approximation it is assumed that the prompt and delayed neutrons in a nuclear reactor may be described mathematically as being instantaneously in equilibrium with each other. This approximation is applied to the spatially dependent neutron diffusion theory reactor kinetics model. Alternating direction checkerboard methods are a family of finite difference alternating direction methods which may be used to solve the multigroup, multidimension, time-dependent neutron diffusion equations. The reactor mesh grid is not swept line by line or point by point as in implicit or explicit alternating direction methods; instead, the reactor mesh grid may be thought of as a checkerboard in which all the ''red squares'' and '' black squares'' are treated successively. Two members of this family of methods, the ADC and NSADC methods, are at least as good as other alternating direction methods. It has been found that the accuracy of implicit and explicit alternating direction methods can be greatly improved by the application of an exponential transformation. This transformation is incompatible with checkerboard methods. Therefore, a new formulation of the exponential transformation has been developed which is compatible with checkerboard methods and at least as good as the former transformation for other alternating direction methods

  17. Solution of unidimensional problems from monoenergetics neutrons diffusion through finite differences

    International Nuclear Information System (INIS)

    Filio Lopez, Carlos.

    1979-01-01

    A calculation program (URA 6.F4) was elaborated on FORTRAN IV language, that through finite differences solves the unidimensional scalar Helmholtz equation, assuming only one energy group, in spherical cylindrical or plane geometry. The purpose is the determination of the flow distribution in a reactor of spherical cylindrical or plane geometry and the critical dimensions. Feeding as entrance datas to the program the geometry, diffusion coefficients and macroscopic transversals cross sections of absorption and fission for each region. The differential diffusion equation is converted with its boundary conditions, to one system of homogeneous algebraic linear equations using the box integration technique. The investigation on criticality is converted then in a succession of eigenvalue problems for the critical eigenvalue. In general, only is necessary to solve the first eigenvalue and its corresponding eigenvector, employing the power method. The obtained results by the program for the critical dimensions of the clean reactors are admissible, the existing error as respect to the analytic is less of 0.5%; by the analysed reactors of three regions, the relative error with respect to the semianalytic result is less of 0.2%. With this program is possible to obtain one quantitative description of one reactor if the transversal sections that appears in the monoenergetic model are adequatedly averaged by the energy group used. (author)

  18. Analytical representation of the solution of the space kinetic diffusion equation in a one-dimensional and homogeneous domain

    Energy Technology Data Exchange (ETDEWEB)

    Tumelero, Fernanda; Bodmann, Bardo E. J.; Vilhena, Marco T. [Universidade Federal do Rio Grande do Sul (PROMEC/UFRGS), Porto Alegre, RS (Brazil). Programa de Pos Graduacao em Engenharia Mecanica; Lapa, Celso M.F., E-mail: fernanda.tumelero@yahoo.com.br, E-mail: bardo.bodmann@ufrgs.br, E-mail: mtmbvilhena@gmail.com, E-mail: lapa@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2017-07-01

    In this work we solve the space kinetic diffusion equation in a one-dimensional geometry considering a homogeneous domain, for two energy groups and six groups of delayed neutron precursors. The proposed methodology makes use of a Taylor expansion in the space variable of the scalar neutron flux (fast and thermal) and the concentration of delayed neutron precursors, allocating the time dependence to the coefficients. Upon truncating the Taylor series at quadratic order, one obtains a set of recursive systems of ordinary differential equations, where a modified decomposition method is applied. The coefficient matrix is split into two, one constant diagonal matrix and the second one with the remaining time dependent and off-diagonal terms. Moreover, the equation system is reorganized such that the terms containing the latter matrix are treated as source terms. Note, that the homogeneous equation system has a well known solution, since the matrix is diagonal and constant. This solution plays the role of the recursion initialization of the decomposition method. The recursion scheme is set up in a fashion where the solutions of the previous recursion steps determine the source terms of the subsequent steps. A second feature of the method is the choice of the initial and boundary conditions, which are satisfied by the recursion initialization, while from the rst recursion step onward the initial and boundary conditions are homogeneous. The recursion depth is then governed by a prescribed accuracy for the solution. (author)

  19. A novel “Turn-On” fluorescent probe for F− detection in aqueous solution and its application in live-cell imaging

    International Nuclear Information System (INIS)

    Xu, Jian; Sun, Shaobo; Li, Qian; Yue, Ying; Li, Yingdong; Shao, Shijun

    2014-01-01

    Highlights: • A novel BODIPY-based “Turn-On” fluorescent probe was synthesized. • Highly selective detection of fluoride ions in 100% aqueous solution. • Study of sensing mechanism using density functional theory (DFT) calculations. • Fluorescent bioimaging of F − ion in A549 and ATII cells. - Abstract: A novel probe incorporating quaternized 4-pyridinium group into a BODIPY molecule was synthesized and studied for the selective detection of fluoride ions (F − ) in aqueous solution. The design was based on a fluoride-specific desilylation reaction and the “Turn-On” fluorescent response of probe 1 to F − was ascribed to the inhibition of photoinduced electron transfer (PET) process. The probe displayed many desired properties such as high specificity, appreciable solubility, desirable response time and low toxicity to mammalian cells. There was a good linearity between the fluorescence intensity and the concentrations of F − in the range of 0.1–1 mM with a detection limit of 0.02 mM. The sensing mechanism was confirmed by the NMR, electrospray ionization mass spectrum, optical spectroscopy and the mechanism of “Turn-On” fluorescent response was also determinated by a density functional theory (DFT) calculation using Gaussian 03 program. Moreover, the probe was successfully applied for the fluorescence imaging of F − in human epithelial lung cancer (A549) cells and alveolar type II (ATII) cells under physiological conditions

  20. A novel “Turn-On” fluorescent probe for F{sup −} detection in aqueous solution and its application in live-cell imaging

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Jian [Key Laboratory of Chemistry of Northwestern Plant Resources and Key Laboratory for Natural Medicine of Gansu Province, Lanzhou institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); University of Chinese Academy of Sciences, Beijing 100039 (China); Sun, Shaobo [Institute of Integrated Traditional and Western Medicine, Gansu University of Chinese Medicine, Lanzhou 730000 (China); Li, Qian; Yue, Ying [Key Laboratory of Chemistry of Northwestern Plant Resources and Key Laboratory for Natural Medicine of Gansu Province, Lanzhou institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Li, Yingdong [Institute of Integrated Traditional and Western Medicine, Gansu University of Chinese Medicine, Lanzhou 730000 (China); Shao, Shijun, E-mail: sjshao@licp.cas.cn [Key Laboratory of Chemistry of Northwestern Plant Resources and Key Laboratory for Natural Medicine of Gansu Province, Lanzhou institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

    2014-11-07

    Highlights: • A novel BODIPY-based “Turn-On” fluorescent probe was synthesized. • Highly selective detection of fluoride ions in 100% aqueous solution. • Study of sensing mechanism using density functional theory (DFT) calculations. • Fluorescent bioimaging of F{sup −} ion in A549 and ATII cells. - Abstract: A novel probe incorporating quaternized 4-pyridinium group into a BODIPY molecule was synthesized and studied for the selective detection of fluoride ions (F{sup −}) in aqueous solution. The design was based on a fluoride-specific desilylation reaction and the “Turn-On” fluorescent response of probe 1 to F{sup −} was ascribed to the inhibition of photoinduced electron transfer (PET) process. The probe displayed many desired properties such as high specificity, appreciable solubility, desirable response time and low toxicity to mammalian cells. There was a good linearity between the fluorescence intensity and the concentrations of F{sup −} in the range of 0.1–1 mM with a detection limit of 0.02 mM. The sensing mechanism was confirmed by the NMR, electrospray ionization mass spectrum, optical spectroscopy and the mechanism of “Turn-On” fluorescent response was also determinated by a density functional theory (DFT) calculation using Gaussian 03 program. Moreover, the probe was successfully applied for the fluorescence imaging of F{sup −} in human epithelial lung cancer (A549) cells and alveolar type II (ATII) cells under physiological conditions.

  1. Electronically tuned sulfonamide-based probes with ultra-sensitivity for Ga{sup 3+} or Al{sup 3+} detection in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Ashwani, E-mail: ashwanirubal@gmail.com; Chae, Pil Seok, E-mail: pchae@hanyang.ac.kr

    2017-03-15

    Three electronically tuned fluorescent probes (1–3) were synthesized by conjugating a fluorescent unit to N,N-bis-(hydroxyethyl)ethylenediamine. Probe 1 bearing an electron-deficient naphthalenedimide unit did not give a fluorescence response to the presence of various metal ions including monovalent metal ions (Na{sup +}, K{sup +}, and Ag{sup +}), divalent metal ions (Ca{sup 2+}, Cd{sup 2+}, Co{sup 2+}, Ni{sup 2+}, Cu{sup 2+}, Hg{sup 2+}, Pb{sup 2+}, and Zn{sup 2+}) and trivalent metal ions (Al{sup 3+}, Ga{sup 3+}, Fe{sup 3+}, and Cr{sup 3+}) in an aqueous solution. By contrast, probes 2 and 3 possessing 1,8-naphthalimide and pyrene fluorophores, respectively, exhibited selective fluorescent “OFF-ON” behaviors as a result of Ga{sup 3+}/Al{sup 3+} binding among the diverse metal ions, suggesting the importance of fluorophore electronic character with regard to metal ion sensing. The ethylenediamine analog of probe 3, corresponding to probe 4, was unable to yield a significant change in fluorescence intensity in the presence of any metal ions tested here, revealing the essential role of two hydroxyl groups for metal ion binding. A high association constant of K{sub a} = 2.99 × 10{sup 5} M{sup −1} was obtained for probe 3 with Ga{sup 3+}, with a limit of detection (LOD) of 10 nM. This LOD is the lowest value known for Ga{sup 3+} detection using chemical sensors. Along with an increase in aggregate sizes, PET suppression of probes upon metal ion binding was the primary contributor to the enhancement in fluorescence emission necessary for the sensitive detection of the target ions. The probe-metal ion complexes were fully characterized via TEM, FE-SEM, {sup 1}H NMR, fluorescence spectroscopy techniques and DFT calculations. - Highlights: • Three electronically tuned sulfonamide-based probes (probes 1, 2, and 3) were developed for metal ion-sensing. • Probes 2 and 3 exhibited AIE behavior with increasing water-content. • Probes 2 and 3 displayed a

  2. Analytical synthetic methods of solution of neutron transport equation with diffusion theory approaches energy multigroup

    International Nuclear Information System (INIS)

    Moraes, Pedro Gabriel B.; Leite, Michel C.A.; Barros, Ricardo C.

    2013-01-01

    In this work we developed a software to model and generate results in tables and graphs of one-dimensional neutron transport problems in multi-group formulation of energy. The numerical method we use to solve the problem of neutron diffusion is analytic, thus eliminating the truncation errors that appear in classical numerical methods, e.g., the method of finite differences. This numerical analytical method increases the computational efficiency, since they are not refined spatial discretization necessary because for any spatial discretization grids used, the numerical result generated for the same point of the domain remains unchanged unless the rounding errors of computational finite arithmetic. We chose to develop a computational application in MatLab platform for numerical computation and program interface is simple and easy with knobs. We consider important to model this neutron transport problem with a fixed source in the context of shielding calculations of radiation that protects the biosphere, and could be sensitive to ionizing radiation

  3. Finite Volume Scheme for Double Convection-Diffusion Exchange of Solutes in Bicarbonate High-Flux Hollow-Fiber Dialyzer Therapy

    Directory of Open Access Journals (Sweden)

    Kodwo Annan

    2012-01-01

    Full Text Available The efficiency of a high-flux dialyzer in terms of buffering and toxic solute removal largely depends on the ability to use convection-diffusion mechanism inside the membrane. A two-dimensional transient convection-diffusion model coupled with acid-base correction term was developed. A finite volume technique was used to discretize the model and to numerically simulate it using MATLAB software tool. We observed that small solute concentration gradients peaked and were large enough to activate solute diffusion process in the membrane. While CO2 concentration gradients diminished from their maxima and shifted toward the end of the membrane, concentration gradients peaked at the same position. Also, CO2 concentration decreased rapidly within the first 47 minutes while optimal concentration was achieved within 30 minutes of the therapy. Abnormally high diffusion fluxes were observed near the blood-membrane interface that increased diffusion driving force and enhanced the overall diffusive process. While convective flux dominated total flux during the dialysis session, there was a continuous interference between convection and diffusion fluxes that call for the need to seek minimal interference between these two mechanisms. This is critical for the effective design and operation of high-flux dialyzers.

  4. Inorganic species of arsenic in soil solution determined by microcartridges and ferrihydrite-based diffusive gradient in thin films (DGT).

    Science.gov (United States)

    Moreno-Jiménez, Eduardo; Six, Laetitia; Williams, Paul N; Smolders, Erik

    2013-01-30

    The bioavailability of soil arsenic (As) is determined by its speciation in soil solution, i.e., arsenite [As(III)] or arsenate [As(V)]. Soil bioavailability studies require suitable methods to cope with small volumes of soil solution that can be speciated directly after sampling, and thereby minimise any As speciation change during sample collection. In this study, we tested a self-made microcartridge to separate both As species and compared it to a commercially available cartridge. In addition, the diffusive gradient in thin films technique (DGT), in combination with the microcartridges, was applied to synthetic solutions and to a soil spiked with As. This combination was used to improve the assessment of available inorganic As species with ferrihydrite(FH)-DGT, in order to validate the technique for environmental analysis, mainly in soils. The self-made microcartridge was effective in separating As(III) from As(V) in solution with detection by inductively coupled plasma optical emission spectrometry (ICP-OES) in volumes of only 3 ml. The DGT study also showed that the FH-based binding gels are effective for As(III) and As(V) assessment, in solutions with As and P concentrations and ionic strength commonly found in soils. The FH-DGT was tested on flooded and unflooded As spiked soils and recoveries of As(III) and As(V) were 85-104% of the total dissolved As. This study shows that the DGT with FH-based binding gel is robust for assessing inorganic species of As in soils. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. The potential of flow-through microdialysis for probing low-molecular weight organic anions in rhizosphere soil solution.

    Science.gov (United States)

    Sulyok, Michael; Miró, Manuel; Stingeder, Gerhard; Koellensperger, Gunda

    2005-08-01

    In this paper, flow-through microdialysis is presented as a novel analytical tool for automatic sampling of low molecular weight organic anions (LMWOA), such as oxalate and citrate, in solid samples of environmental concern. The microsampling methodology involves the implantation of dedicated capillary-type probes offering unrivalled spatial resolution (ca. 200μm) in definite soil sites. These passive samplers are aimed at monitoring local processes, such as the release of organic acids occurring in the rhizosphere environment, in nearly real-time. The influence of chemical and physical variables (composition and flow rate of the perfusion liquid, ionic strength and pH of the outer medium and presence of metal ions therein) was assessed in vitro using liquid-phase assays. On the other hand, the resistance of the external solid medium to mass transfer, and the actual applicability of in vivo calibration methods were investigated using quartz sand as an inert model soil. Microdialysers furnished with 3cm long semipermeable tubular membranes were perfused with 0.01M NaNO 3 at a flow rate of 2.0μl/min, yielding dialysis recoveries ≥45% for both assayed LMWOAs in simulated background soil electrolyte solutions, and ≥24% in the interstitial liquid of complex solid samples. Full knowledge of the fate of LMWOAs in soils was obtained through the application of stimulus-response approaches that mimic the discrete exudation pulses of roots. Highly time-resolved microdialysates were used to discern readily available species such as free carboxylic anions and LMW metal-organic acid complexes from adsorbed, precipitated or mineralised analyte species in a variety of soil samples containing variable amounts of organic matter, exchangeable cations and different levels of metal pollution.

  6. Application of COMSOL in the solution of the neutron diffusion equations for fast nuclear reactors in stationary state

    International Nuclear Information System (INIS)

    Silva A, L.; Del Valle G, E.

    2012-10-01

    This work shows an application of the program COMSOL Multi physics Ver. 4.2a in the solution of the neutron diffusion equations for several energy groups in nuclear reactors whose core is formed by assemblies of hexagonal transversal cut as is the cas of fast reactors. A reference problem of 4 energy groups is described of which takes the cross sections which are processed by means of a program that prepares the definition of the constants utilized in COMSOL for the generic partial differential equations that this uses. The considered solution domain is the sixth part of the core which is applied frontier conditions of reflection and incoming flux zero. The discretization mesh is elaborated in automatic way by COMSOL and the solution method is one of finite elements of Lagrange grade two. The reference problem is known as the Knk with and without control rod which led to propose the calculation of the effective multiplication factor in function of the control rod fraction from a value 0 (completely inserted control rod) until the value 1 (completely extracted control rod). Besides this the reactivity was determined as well as the change of this in function of control rod fraction. The neutrons scalar flux for each energy group with and without control rod is proportioned. The reported results show a behavior similar to the one reported in other works but using the discreet ordinates S 2 approximation. (Author)

  7. Scaling exponent and dispersity of polymers in solution by diffusion NMR.

    Science.gov (United States)

    Williamson, Nathan H; Röding, Magnus; Miklavcic, Stanley J; Nydén, Magnus

    2017-05-01

    Molecular mass distribution measurements by pulsed gradient spin echo nuclear magnetic resonance (PGSE NMR) spectroscopy currently require prior knowledge of scaling parameters to convert from polymer self-diffusion coefficient to molecular mass. Reversing the problem, we utilize the scaling relation as prior knowledge to uncover the scaling exponent from within the PGSE data. Thus, the scaling exponent-a measure of polymer conformation and solvent quality-and the dispersity (M w /M n ) are obtainable from one simple PGSE experiment. The method utilizes constraints and parametric distribution models in a two-step fitting routine involving first the mass-weighted signal and second the number-weighted signal. The method is developed using lognormal and gamma distribution models and tested on experimental PGSE attenuation of the terminal methylene signal and on the sum of all methylene signals of polyethylene glycol in D 2 O. Scaling exponent and dispersity estimates agree with known values in the majority of instances, leading to the potential application of the method to polymers for which characterization is not possible with alternative techniques. Copyright © 2017 Elsevier Inc. All rights reserved.

  8. A New Approach and Solution Technique to Solve Time Fractional Nonlinear Reaction-Diffusion Equations

    Directory of Open Access Journals (Sweden)

    Inci Cilingir Sungu

    2015-01-01

    Full Text Available A new application of the hybrid generalized differential transform and finite difference method is proposed by solving time fractional nonlinear reaction-diffusion equations. This method is a combination of the multi-time-stepping temporal generalized differential transform and the spatial finite difference methods. The procedure first converts the time-evolutionary equations into Poisson equations which are then solved using the central difference method. The temporal differential transform method as used in the paper takes care of stability and the finite difference method on the resulting equation results in a system of diagonally dominant linear algebraic equations. The Gauss-Seidel iterative procedure then used to solve the linear system thus has assured convergence. To have optimized convergence rate, numerical experiments were done by using a combination of factors involving multi-time-stepping, spatial step size, and degree of the polynomial fit in time. It is shown that the hybrid technique is reliable, accurate, and easy to apply.

  9. Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes I: Finite Element Solutions.

    Science.gov (United States)

    Lu, Benzhuo; Holst, Michael J; McCammon, J Andrew; Zhou, Y C

    2010-09-20

    In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised for time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems.

  10. Parameter estimation in IMEX-trigonometrically fitted methods for the numerical solution of reaction-diffusion problems

    Science.gov (United States)

    D'Ambrosio, Raffaele; Moccaldi, Martina; Paternoster, Beatrice

    2018-05-01

    In this paper, an adapted numerical scheme for reaction-diffusion problems generating periodic wavefronts is introduced. Adapted numerical methods for such evolutionary problems are specially tuned to follow prescribed qualitative behaviors of the solutions, making the numerical scheme more accurate and efficient as compared with traditional schemes already known in the literature. Adaptation through the so-called exponential fitting technique leads to methods whose coefficients depend on unknown parameters related to the dynamics and aimed to be numerically computed. Here we propose a strategy for a cheap and accurate estimation of such parameters, which consists essentially in minimizing the leading term of the local truncation error whose expression is provided in a rigorous accuracy analysis. In particular, the presented estimation technique has been applied to a numerical scheme based on combining an adapted finite difference discretization in space with an implicit-explicit time discretization. Numerical experiments confirming the effectiveness of the approach are also provided.

  11. Real-time UV imaging of piroxicam diffusion and distribution from oil solutions into gels mimicking the subcutaneous matrix.

    Science.gov (United States)

    Ye, Fengbin; Larsen, Susan Weng; Yaghmur, Anan; Jensen, Henrik; Larsen, Claus; Østergaard, Jesper

    2012-05-12

    A novel real-time UV imaging approach for non-intrusive investigation of the diffusion and partitioning phenomena occurring during piroxicam release from medium chain triglyceride (MCT) solution into two hydrogel matrices is described. Two binary polymer/buffer gel matrices, 0.5% (w/v) agarose and 25% (w/v) Pluronic F127, were applied as simple models mimicking the subcutaneous tissue. The evolution of the absorbance maps as a function of time provided detailed information on the piroxicam release processes upon the exposure of the gel matrices to MCT. Using calibration curves, the concentration maps of piroxicam in the UV imaging area were determined. Regression of the longitudinal concentration-distance profiles, which were obtained using expressions derived from Fick's second law, provided the diffusivity and the distribution coefficients of piroxicam penetrated into the gels. The obtained MCT-agarose (pH 7.4) distribution coefficient of 1.4 was identical to the MCT-aqueous (pH 7.4) distribution coefficient determined by the shake-flask method whereas that of the MCT-Pluronic F127 system was four times less. The experimental data show that UV imaging may have considerable potential for investigating the transport properties of drug formulations intended for the subcutaneous administration. Copyright © 2012 Elsevier B.V. All rights reserved.

  12. Probing the Diffuse Optical-IR Background with TeV Blazars Detected with the MAGIC Telescopes

    Energy Technology Data Exchange (ETDEWEB)

    Prandini, Elisa [Dipartimento di Fisica e Astronomia “G. Galilei”, University of Padova, Padua (Italy); Domínguez, Alberto [Departamento de Física Atómica, Universidad Complutense, Madrid (Spain); Fallah Ramazani, Vandad [Tuorla observatory, University of Turku, Turku (Finland); Hassan, Tarek [IFAE, The Barcelona Institute of Science and Technology, Bellaterra (Spain); Mazin, Daniel [Max Planck Institute for Physics, Munich (Germany); Institute for Cosmic Ray Research, University of Tokyo, Tokyo (Japan); Moralejo, Abelardo [IFAE, The Barcelona Institute of Science and Technology, Bellaterra (Spain); Nievas Rosillo, Mireia [Departamento de Física Atómica, Universidad Complutense, Madrid (Spain); Vanzo, Gaia; Vazquez Acosta, Monica, E-mail: prandini@pd.infn.it [Instituto de Astrofísica de Canarias, Tenerife (Spain); Departamento de Astrofisica, Universidad de La Laguna, Tenerife (Spain)

    2017-11-22

    Blazars are radio loud quasars whose jet points toward the observer. The observed emission is mostly non-thermal, dominated by the jet emission, and in some cases extends up to the very high energy gamma rays (VHE; E > 100 GeV). To date, more than 60 blazars have been detected at VHE mainly with ground-based imaging atmospheric Cherenkov telescopes (IACTs) such as MAGIC, H.E.S.S., and VERITAS. Energetic photons from a blazar may interact with the diffuse optical and IR background (the extragalactic background light, EBL) leaving an imprint on the blazar energy spectrum. This effect can be used to constrain the EBL, with basic assumptions on the intrinsic energy spectrum. Current generation of IACTs is providing valuable measurements of the EBL density and energy spectrum from optical to infrared frequencies. In this contribution, we present the latest results obtained with the data taken with the MAGIC telescopes: using 32 spectra from 12 blazars, the scale factor of the optical density predicted by the EBL model from Domínguez et al. (2011) is constrained to be 0.95 (+0.11, −0.12){sub stat} (+0.16, −0.07){sub sys}, where a value of 1 means the perfect match with the model.

  13. Probing the Diffuse Optical-IR Background with TeV Blazars Detected with the MAGIC Telescopes

    Directory of Open Access Journals (Sweden)

    Elisa Prandini

    2017-11-01

    Full Text Available Blazars are radio loud quasars whose jet points toward the observer. The observed emission is mostly non-thermal, dominated by the jet emission, and in some cases extends up to the very high energy gamma rays (VHE; E > 100 GeV. To date, more than 60 blazars have been detected at VHE mainly with ground-based imaging atmospheric Cherenkov telescopes (IACTs such as MAGIC, H.E.S.S., and VERITAS. Energetic photons from a blazar may interact with the diffuse optical and IR background (the extragalactic background light, EBL leaving an imprint on the blazar energy spectrum. This effect can be used to constrain the EBL, with basic assumptions on the intrinsic energy spectrum. Current generation of IACTs is providing valuable measurements of the EBL density and energy spectrum from optical to infrared frequencies. In this contribution, we present the latest results obtained with the data taken with the MAGIC telescopes: using 32 spectra from 12 blazars, the scale factor of the optical density predicted by the EBL model from Domínguez et al. (2011 is constrained to be 0.95 (+0.11, −0.12stat (+0.16, −0.07sys, where a value of 1 means the perfect match with the model.

  14. On Some New Properties of the Fundamental Solution to the Multi-Dimensional Space- and Time-Fractional Diffusion-Wave Equation

    Directory of Open Access Journals (Sweden)

    Yuri Luchko

    2017-12-01

    Full Text Available In this paper, some new properties of the fundamental solution to the multi-dimensional space- and time-fractional diffusion-wave equation are deduced. We start with the Mellin-Barnes representation of the fundamental solution that was derived in the previous publications of the author. The Mellin-Barnes integral is used to obtain two new representations of the fundamental solution in the form of the Mellin convolution of the special functions of the Wright type. Moreover, some new closed-form formulas for particular cases of the fundamental solution are derived. In particular, we solve the open problem of the representation of the fundamental solution to the two-dimensional neutral-fractional diffusion-wave equation in terms of the known special functions.

  15. Geographic Diffusion and Implementation of Acute Care Surgery: An Uneven Solution to the National Emergency General Surgery Crisis.

    Science.gov (United States)

    Khubchandani, Jasmine A; Ingraham, Angela M; Daniel, Vijaya T; Ayturk, Didem; Kiefe, Catarina I; Santry, Heena P

    2018-02-01

    Owing to lack of adequate emergency care infrastructure and decline in general surgery workforce, the United States faces a crisis in access to emergency general surgery (EGS) care. Acute care surgery (ACS), an organized system of trauma, general surgery, and critical care, is a proposed solution; however, ACS diffusion remains poorly understood. To investigate geographic diffusion of ACS models of care and characterize the communities in which ACS implementation is lagging. A national survey on EGS practices was developed, tested, and administered at all 2811 US acute care hospitals providing EGS to adults between August 2015 and October 2015. Surgeons responsible for EGS coverage at these hospitals were approached. If these surgeons failed to respond to the initial survey implementation, secondary surgeons or chief medical officers at hospitals with only 1 general surgeon were approached. Survey responses on ACS implementation were linked with geocoded hospital data and national census data to determine geographic diffusion of and access to ACS. We measured the distribution of hospitals with ACS models of care vs those without over time (diffusion) and by US counties characterized by sociodemographic characteristics of county residents (access). Survey response rate was 60% (n = 1690); 272 responding hospitals had implemented ACS by 2015, steadily increasing from 34 in 2001 to 125 in 2010. Acute care surgery implementation has not been uniform. Rural regions have limited ACS access, with hospitals in counties with greater than the 75th percentile population having 5.4 times higher odds (95% CI, 1.66-7.35) of implementing ACS than hospitals in counties with less than 25th percentile population. Communities with greater percentages of adults without a college degree also have limited ACS access (OR, 3.43; 95% CI, 1.81-6.48). However, incorporating EGS into ACS models may be a potential equalizer for poor, black, and Hispanic communities. Understanding and

  16. Solution of the advection-diffusion equation for a nonhomogeneous and nonstationary Planetary Boundary Layer by GILTT (Generalized Integral Laplace Transform Technique)

    International Nuclear Information System (INIS)

    Mello, Kelen Berra de

    2005-02-01

    In this work is shown the solution of the advection-diffusion equation to simulate a pollutant dispersion in the Planetary Boundary Layer. The solution is obtained through of the GILTT (Generalized Integral Laplace Transform Technique) analytic method and of the numerical inversion Gauss Quadrature. The validity of the solution is proved using concentration obtained from the model with concentration obtained for Copenhagen experiment. In this comparison was utilized potential and logarithmic wind profile and eddy diffusivity derived by Degrazia et al (1997) [17] and (2002) [19]. The best results was using the potential wind profile and the eddy diffusivity derived by Degrazia et al (1997). The vertical velocity influence is shown in the plume behavior of the pollutant concentration. Moreover, the vertical and longitudinal velocity provided by Large Eddy Simulation (LES) was stood in the model to simulate the turbulent boundary layer more realistic, the result was satisfactory when compared with contained in the literature. (author)

  17. HEXNOD23, 2-D, 3-D Coarse Mesh Solution of Steady State Diffusion Equation in Hexagonal Geometry

    International Nuclear Information System (INIS)

    Grundmann, Ulrich

    1986-01-01

    1 - Description of program or function: Two- or three dimensional coarse mesh solution of steady state two group neutron diffusion equation in arrays of regular hexagons or hexagonal subassemblies. 2 - Method of solution: The neutron flux in a hexagonal node is expanded in a series of Bessel functions in the hexagonal plane. Polynomials up to the 4. order are used for the approximation of neutron flux in axial direction of three dimensional cases. Resulting relations between node averaged fluxes and mean partial currents of node faces in connection with the neutron balance of nodes are used to calculate the eigenvalue Keff, mean fluxes and mean powers of nodes. The iterations process is divided into inner and outer iterations. The iterations are accelerated by Ljusternik and Tschebyscheff extrapolation schemes. The power densities in the nodes and subassembly powers are computed for given reactor power in three dimensional cases. 30 degree reflectional, 60 and 120 degree rotational core symmetry and the whole core can be treated. 3 - Restrictions on the complexity of the problem: If the problem size designated by LIAR and LRAR exceeds 3000 and 50000 respectively, the lengths of the working array MIAR and MRAR in the main program can be increased. External sources are not permitted

  18. Evaluation of Solid-Solution Hardening in Several Binary Alloy Systems Using Diffusion Couples Combined with Nanoindentation

    Science.gov (United States)

    Kadambi, Sourabh B.; Divya, V. D.; Ramamurty, U.

    2017-10-01

    Analysis of solid-solution hardening (SSH) in alloys requires the synthesis of large composition libraries and the measurement of strength or hardness from these compositions. Conventional methods of synthesis and testing, however, are not efficient and high-throughput approaches have been developed in the past. In the present study, we use a high-throughput combinatorial approach to examine SSH at large concentrations in binary alloys of Fe-Ni, Fe-Co, Pt-Ni, Pt-Co, Ni-Co, Ni-Mo, and Co-Mo. The diffusion couple (DC) method is used to generate concentration ( c) gradients and the nanoindentation (NI) technique to measure the hardness ( H) along these gradients. The obtained H -c profiles are analyzed within the framework of the Labusch model of SSH, and the c^{2/3} dependence of H predicted by the model is found to be generally applicable. The SSH behavior obtained using the combinatorial method is found to be largely consistent with that observed in the literature using conventional and DC-NI methods. This study evaluates SSH in Fe-, Ni-, Co-, and Pt-based binary alloys and confirms the applicability of the DC-NI approach for rapidly screening various solute elements for their SSH ability.

  19. Dynamically Adapted Mesh Construction for the Efficient Numerical Solution of a Singular Perturbed Reaction-diffusion-advection Equation

    Directory of Open Access Journals (Sweden)

    Dmitry V. Lukyanenko

    2017-01-01

    Full Text Available This  work develops  a theory  of the  asymptotic-numerical investigation of the  moving fronts  in reaction-diffusion-advection models.  By considering  the  numerical  solution  of the  singularly perturbed Burgers’s  equation  we discuss a method  of dynamically  adapted mesh  construction that is able to significantly  improve  the  numerical  solution  of this  type of equations.  For  the  construction we use a priori information that is based  on the  asymptotic analysis  of the  problem.  In  particular, we take  into account the information about  the speed of the transition layer, its width  and structure. Our algorithms  are able to reduce significantly complexity and enhance stability of the numerical  calculations in comparison  with classical approaches for solving this class of problems.  The numerical  experiment is presented to demonstrate the effectiveness of the proposed  method.The article  is published  in the authors’  wording. 

  20. Reference-free spectroscopic determination of fat and protein in milk in the visible and near infrared region below 1000nm using spatially resolved diffuse reflectance fiber probe.

    Science.gov (United States)

    Bogomolov, Andrey; Belikova, Valeria; Galyanin, Vladislav; Melenteva, Anastasiia; Meyer, Hans

    2017-05-15

    New technique of diffuse reflectance spectroscopic analysis of milk fat and total protein content in the visible (Vis) and adjacent near infrared (NIR) region (400-995nm) has been developed and tested. Sample analysis was performed through a probe having eight 200-µm fiber channels forming a linear array. One of the end fibers was used for the illumination and other seven - for the spectroscopic detection of diffusely reflected light. One of the detection channels was used as a reference to normalize the spectra and to convert them into absorbance-equivalent units. The method has been tested experimentally using a designed sample set prepared from industrial raw milk standards with widely varying fat and protein content. To increase the modelling robustness all milk samples were measured in three different homogenization degrees. Comprehensive data analysis has shown the advantage of combining both spectral and spatial resolution in the same measurement and revealed the most relevant channels and wavelength regions. The modelling accuracy was further improved using joint variable selection and preprocessing optimization method based on the genetic algorithm. The root mean-square errors of different validation methods were below 0.10% for fat and below 0.08% for total protein content. Based on the present experimental data, it was computationally shown that the full-spectrum analysis in this method can be replaced by a sensor measurement at several specific wavelengths, for instance, using light-emitting diodes (LEDs) for illumination. Two optimal sensor configurations have been suggested: with nine LEDs for the analysis of fat and seven - for protein content. Both simulated sensors exhibit nearly the same component determination accuracy as corresponding full-spectrum analysis. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. In situ study of Li-ions diffusion and deformation in Li-rich cathode materials by using scanning probe microscopy techniques

    Science.gov (United States)

    Zeng, Kaiyang; Li, Tao; Tian, Tian

    2017-08-01

    In this paper, the scanning probe microscopy (SPM) based techniques, namely, conductive-AFM, electrochemical strain microscopy (ESM) and AM-FM (amplitude modulation-frequency modulation) techniques, are used to in situ characterize the changes in topography, conductivity and elastic properties of Li-rich layered oxide cathode (Li1.2Mn0.54Ni0.13Co0.13O2) materials, in the form of nanoparticles, when subject to the external electric field. Nanoparticles are the basic building blocks for composite cathode in a Li-ion rechargeable battery. Characterization of the structure and electrochemical properties of the nanoparticles is very important to understand the performance and reliability of the battery materials and devices. In this study, the conductivity, deformation and mechanical properties of the Li-rich oxide nanoparticles under different polarities of biases are studied using the above-mentioned SPM techniques. This information can be correlated with the Li+-ion diffusion and migration in the particles under external electrical field. The results also confirm that the SPM techniques are ideal tools to study the changes in various properties of electrode materials at nano- to micro-scales during or after the ‘simulated’ battery operation conditions. These techniques can also be used to in situ characterize the electrochemical performances of other energy storage materials, especially in the form of the nanoparticles.

  2. Mode coupling theory analysis of electrolyte solutions: Time dependent diffusion, intermediate scattering function, and ion solvation dynamics.

    Science.gov (United States)

    Roy, Susmita; Yashonath, Subramanian; Bagchi, Biman

    2015-03-28

    A self-consistent mode coupling theory (MCT) with microscopic inputs of equilibrium pair correlation functions is developed to analyze electrolyte dynamics. We apply the theory to calculate concentration dependence of (i) time dependent ion diffusion, (ii) intermediate scattering function of the constituent ions, and (iii) ion solvation dynamics in electrolyte solution. Brownian dynamics with implicit water molecules and molecular dynamics method with explicit water are used to check the theoretical predictions. The time dependence of ionic self-diffusion coefficient and the corresponding intermediate scattering function evaluated from our MCT approach show quantitative agreement with early experimental and present Brownian dynamic simulation results. With increasing concentration, the dispersion of electrolyte friction is found to occur at increasingly higher frequency, due to the faster relaxation of the ion atmosphere. The wave number dependence of intermediate scattering function, F(k, t), exhibits markedly different relaxation dynamics at different length scales. At small wave numbers, we find the emergence of a step-like relaxation, indicating the presence of both fast and slow time scales in the system. Such behavior allows an intriguing analogy with temperature dependent relaxation dynamics of supercooled liquids. We find that solvation dynamics of a tagged ion exhibits a power law decay at long times-the decay can also be fitted to a stretched exponential form. The emergence of the power law in solvation dynamics has been tested by carrying out long Brownian dynamics simulations with varying ionic concentrations. The solvation time correlation and ion-ion intermediate scattering function indeed exhibit highly interesting, non-trivial dynamical behavior at intermediate to longer times that require further experimental and theoretical studies.

  3. Look fast: Crystallization of conjugated molecules during solution shearing probed in-situ and in real time by X-ray scattering

    KAUST Repository

    Smilgies, Detlef Matthias; Li, Ruipeng; Giri, Gaurav; Chou, Kang Wei; Diao, Ying; Bao, Zhenan; Amassian, Aram

    2012-01-01

    High-speed solution shearing, in which a drop of dissolved material is spread by a coating knife onto the substrate, has emerged as a versatile, yet simple coating technique to prepare high-mobility organic thin film transistors. Solution shearing and subsequent drying and crystallization of a thin film of conjugated molecules is probed in situ using microbeam grazing incidence wide-angle X-ray scattering (μGIWAXS). We demonstrate the advantages of this approach to study solution based crystal nucleation and growth, and identify casting parameter combinations to cast highly ordered and laterally aligned molecular thin films. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Look fast: Crystallization of conjugated molecules during solution shearing probed in-situ and in real time by X-ray scattering

    KAUST Repository

    Smilgies, Detlef Matthias

    2012-12-20

    High-speed solution shearing, in which a drop of dissolved material is spread by a coating knife onto the substrate, has emerged as a versatile, yet simple coating technique to prepare high-mobility organic thin film transistors. Solution shearing and subsequent drying and crystallization of a thin film of conjugated molecules is probed in situ using microbeam grazing incidence wide-angle X-ray scattering (μGIWAXS). We demonstrate the advantages of this approach to study solution based crystal nucleation and growth, and identify casting parameter combinations to cast highly ordered and laterally aligned molecular thin films. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Mode of corrosion monitoring by electrochemical measurements in alkaline water solutions at 310 degC using a new type of industrial probes with high radiation stability

    International Nuclear Information System (INIS)

    Beran, J.

    1977-01-01

    Application of the linear polarization method to Zr-alloys and low-alloy steel was successfully verified by autoclave tests in alkaline water solutions, pH=10.3 max. The new type of industrial probes for electrochemical measurements worked 5500 hours at temperatures within 250 and 310 degC. Contrary to usual practice, the corrosion rate was evaluated applying the criterion T/Rsub(p) instead of criterion 1/Rsub(p). A single calibration curve T/Rsub(p) versus corrosion rate, which is independent of test temperature, was introduced in this way. The probes, developed by SKODA-Works, Nuclear Power Construction Division for electrochemical measurements in nuclear reactor environment, do not contain organic compounds (for sealing, insulation etc.) in order to prevent radiation damage. (author)

  6. ENZYME ACTIVITY PROBE AND GEOCHEMICAL ASSESSMENT FOR POTENTIAL AEROBIC COMETABOLISM OF TRICHLOROETHENE IN GROUNDWATER OF THE NORTHWEST PLUME, PADUCAH GASEOUS DIFFUSION PLANT, KENTUCKY

    International Nuclear Information System (INIS)

    Looney, B; M. Hope Lee, M; S. K. Hampson, S

    2008-01-01

    The overarching objective of the Paducah Gaseous Diffusion Plant (PGDP) enzyme activity probe (EAP) effort is to determine if aerobic cometabolism is contributing to the attenuation of trichloroethene (TCE) and other chlorinated solvents in the contaminated groundwater beneath PGDP. The site-specific objective for the EAP assessment is to identify if key metabolic pathways are present and expressed in the microbial community--namely the pathways that are responsible for degradation of methane and aromatic (e.g. toluene, benzene, phenol) substrates. The enzymes produced to degrade methane and aromatic compounds also break down TCE through a process known as cometabolism. EAPs directly measure if methane and/or aromatic enzyme production pathways are operating and, for the aromatic pathways, provide an estimate of the number of active organisms in the sampled groundwater. This study in the groundwater plumes at PGDP is a major part of a larger scientific effort being conducted by Interstate Technology and Regulatory Council (ITRC), U.S. Department of Energy (DOE) Office of Environmental Management (EM), Savannah River National Laboratory (SRNL), and North Wind Inc. in which EAPs are being applied to contaminated groundwater from diverse hydrogeologic and plume settings throughout the U.S. to help standardize their application as well as their interpretation. While EAP data provide key information to support the site specific objective for PGDP, several additional lines of evidence are being evaluated to increase confidence in the determination of the occurrence of biodegradation and the rate and sustainability of aerobic cometabolism. These complementary efforts include: (1) Examination of plume flowpaths and comparison of TCE behavior to 'conservative' tracers in the plume (e.g., 99 Tc); (2) Evaluation of geochemical conditions throughout the plume; and (3) Evaluation of stable isotopes in the contaminants and their daughter products throughout the plume. If the

  7. Conservative diffusions

    International Nuclear Information System (INIS)

    Carlen, E.A.

    1984-01-01

    In Nelson's stochastic mechanics, quantum phenomena are described in terms of diffusions instead of wave functions. These diffusions are formally given by stochastic differential equations with extremely singular coefficients. Using PDE methods, we prove the existence of solutions. This reult provides a rigorous basis for stochastic mechanics. (orig.)

  8. Steady state solution of the Fokker-Planck equation combined with unidirectional quasilinear diffusion under detailed balance conditions

    International Nuclear Information System (INIS)

    Hizanidis, K.

    1984-04-01

    The relativistic collisional Fokker-Planck equation combined with an externally imposed unidirectional quasilinear (rf) diffusion is solved for arbitrary values of rf diffusion coefficient under conditions of detailed balance of the staionary joint distribution involved. The detailed balance condition imposes a restriction on the functional form of the quasilinear diffusion coefficient which might be associated with the existence of a saturated spectrum of fluctuation in a quasilinearly rf-driven plasma

  9. Analytical solutions of the planar cyclic voltammetry process for two soluble species with equal diffusivities and fast electron transfer using the method of eigenfunction expansions

    Energy Technology Data Exchange (ETDEWEB)

    Samin, Adib; Lahti, Erik; Zhang, Jinsuo, E-mail: zhang.3558@osu.edu [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W 19" t" h Avenue, Columbus, Ohio 43210 (United States)

    2015-08-15

    Cyclic voltammetry is a powerful tool that is used for characterizing electrochemical processes. Models of cyclic voltammetry take into account the mass transport of species and the kinetics at the electrode surface. Analytical solutions of these models are not well-known due to the complexity of the boundary conditions. In this study we present closed form analytical solutions of the planar voltammetry model for two soluble species with fast electron transfer and equal diffusivities using the eigenfunction expansion method. Our solution methodology does not incorporate Laplace transforms and yields good agreement with the numerical solution. This solution method can be extended to cases that are more general and may be useful for benchmarking purposes.

  10. Analytical solutions of the planar cyclic voltammetry process for two soluble species with equal diffusivities and fast electron transfer using the method of eigenfunction expansions

    International Nuclear Information System (INIS)

    th Avenue, Columbus, Ohio 43210 (United States))" data-affiliation=" (Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W 19th Avenue, Columbus, Ohio 43210 (United States))" >Samin, Adib; th Avenue, Columbus, Ohio 43210 (United States))" data-affiliation=" (Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W 19th Avenue, Columbus, Ohio 43210 (United States))" >Lahti, Erik; th Avenue, Columbus, Ohio 43210 (United States))" data-affiliation=" (Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, 201 W 19th Avenue, Columbus, Ohio 43210 (United States))" >Zhang, Jinsuo

    2015-01-01

    Cyclic voltammetry is a powerful tool that is used for characterizing electrochemical processes. Models of cyclic voltammetry take into account the mass transport of species and the kinetics at the electrode surface. Analytical solutions of these models are not well-known due to the complexity of the boundary conditions. In this study we present closed form analytical solutions of the planar voltammetry model for two soluble species with fast electron transfer and equal diffusivities using the eigenfunction expansion method. Our solution methodology does not incorporate Laplace transforms and yields good agreement with the numerical solution. This solution method can be extended to cases that are more general and may be useful for benchmarking purposes

  11. Lie and Q-Conditional Symmetries of Reaction-Diffusion-Convection Equations with Exponential Nonlinearities and Their Application for Finding Exact Solutions

    Directory of Open Access Journals (Sweden)

    Roman Cherniha

    2018-04-01

    Full Text Available This review is devoted to search for Lie and Q-conditional (nonclassical symmetries and exact solutions of a class of reaction-diffusion-convection equations with exponential nonlinearities. A complete Lie symmetry classification of the class is derived via two different algorithms in order to show that the result depends essentially on the type of equivalence transformations used for the classification. Moreover, a complete description of Q-conditional symmetries for PDEs from the class in question is also presented. It is shown that all the well-known results for reaction-diffusion equations with exponential nonlinearities follow as particular cases from the results derived for this class of reaction-diffusion-convection equations. The symmetries obtained for constructing exact solutions of the relevant equations are successfully applied. The exact solutions are compared with those found by means of different techniques. Finally, an application of the exact solutions for solving boundary-value problems arising in population dynamics is presented.

  12. Probing liquation cracking and solidification through modeling of momentum, heat, and solute transport during welding of aluminum alloys

    International Nuclear Information System (INIS)

    Mishra, S.; Chakraborty, S.; DebRoy, T.

    2005-01-01

    A transport phenomena-based mathematical model is developed to understand liquation cracking in weldments during fusion welding. Equations of conservation of mass, momentum, heat, and solute transport are numerically solved considering nonequilibrium solidification and filler metal addition to determine the solid and liquid phase fractions in the solidifying region and the solute distribution in the weld pool. An effective partition coefficient that considers the local interface velocity and the undercooling is used to simulate solidification during welding. The calculations show that convection plays a dominant role in the solute transport inside the weld pool. The predicted weld-metal solute content agreed well with the independent experimental observations. The liquation cracking susceptibility in Al-Cu alloy weldments could be reliably predicted by the model based on the computed solidifying weld-metal composition and solid fraction considering nonequilibrium solidification

  13. Curcumin-Based "Enhanced SNAr" Promoted Ultrafast Fluorescent Probe for Thiophenols Detection in Aqueous Solution and in Living Cells.

    Science.gov (United States)

    Yue, Yongkang; Huo, Fangjun; Zhang, Yongbin; Chao, Jianbin; Martínez-Máñez, Ramón; Yin, Caixia

    2016-11-01

    We report herein a highly selective and sensitive turn-on fluorescent probe (compound 1) with a fast response time (less than 2 min) for thiophenol detection based on an "enhanced S N Ar" reaction between thiophenols and a sulfonyl-ester moiety covalently attach to curcumin. Reaction of 1 in Hepes-MeOH (1:1, v/v, pH 7.4) in the presence of 4-methylthiophenol (MTP) resulted in a remarkable enhancement of the fluorescence. A linear response in the presence of MTP of the relative fluorescent intensity (F - F 0 ) of 1 at 536 nm in the 0-40 μM MTP concentration range was found. A limit of detection (LOD) for the detection of MTP of 26 nM, based on the definition by IUPAC (C DL = 3 Sb/m), was calculated. Probe 1 was applied to monitor and imaging exogenous MTP in live cells and to the detection of MTP in real water samples.

  14. Atom Probe Tomography Characterization of the Solute Distributions in a Neutron-Irradiated and Annealed Pressure Vessel Steel Weld

    Energy Technology Data Exchange (ETDEWEB)

    Miller, M.K.

    2001-01-30

    A combined atom probe tomography and atom probe field ion microscopy study has been performed on a submerged arc weld irradiated to high fluence in the Heavy-Section Steel irradiation (HSSI) fifth irradiation series (Weld 73W). The composition of this weld is Fe - 0.27 at. % Cu, 1.58% Mn, 0.57% Ni, 0.34% MO, 0.27% Cr, 0.58% Si, 0.003% V, 0.45% C, 0.009% P, and 0.009% S. The material was examined after five conditions: after a typical stress relief treatment of 40 h at 607 C, after neutron irradiation to a fluence of 2 x 10{sup 23} n m{sup {minus}2} (E > 1 MeV), and after irradiation and isothermal anneals of 0.5, 1, and 168 h at 454 C. This report describes the matrix composition and the size, composition, and number density of the ultrafine copper-enriched precipitates that formed under neutron irradiation and the change in these parameters with post-irradiation annealing treatments.

  15. Determination of the diffusivity, dispersion, skewness and kurtosis in heterogeneous porous flow. Part I: Analytical solutions with the extended method of moments.

    Science.gov (United States)

    Ginzburg, Irina; Vikhansky, Alexander

    2018-05-01

    The extended method of moments (EMM) is elaborated in recursive algorithmic form for the prediction of the effective diffusivity, the Taylor dispersion dyadic and the associated longitudinal high-order coefficients in mean-concentration profiles and residence-time distributions. The method applies in any streamwise-periodic stationary d-dimensional velocity field resolved in the piecewise continuous heterogeneous porosity field. It is demonstrated that EMM reduces to the method of moments and the volume-averaging formulation in microscopic velocity field and homogeneous soil, respectively. The EMM simultaneously constructs two systems of moments, the spatial and the temporal, without resorting to solving of the high-order upscaled PDE. At the same time, the EMM is supported with the reconstruction of distribution from its moments, allowing to visualize the deviation from the classical ADE solution. The EMM can be handled by any linear advection-diffusion solver with explicit mass-source and diffusive-flux jump condition on the solid boundary and permeable interface. The prediction of the first four moments is decisive in the optimization of the dispersion, asymmetry, peakedness and heavy-tails of the solute distributions, through an adequate design of the composite materials, wetlands, chemical devices or oil recovery. The symbolic solutions for dispersion, skewness and kurtosis are constructed in basic configurations: diffusion process and Darcy flow through two porous blocks in "series", straight and radial Poiseuille flow, porous flow governed by the Stokes-Brinkman-Darcy channel equation and a fracture surrounded by penetrable diffusive matrix or embedded in porous flow. We examine the moments dependency upon porosity contrast, aspect ratio, Péclet and Darcy numbers, but also for their response on the effective Brinkman viscosity applied in flow modeling. Two numerical Lattice Boltzmann algorithms, a direct solver of the microscopic ADE in heterogeneous

  16. Diffusion of flexible, charged, nanoscopic molecules in solution: Size and pH dependence for PAMAM dendrimer

    Science.gov (United States)

    Maiti, Prabal K.; Bagchi, Biman

    2009-12-01

    In order to understand self-diffusion (D) of a charged, flexible, and porous nanoscopic molecule in water, we carry out very long, fully atomistic molecular dynamics simulation of PAMAM dendrimer up to eight generations in explicit salt water under varying pH. We find that while the radius of gyration (Rg) varies as N1/3, the self-diffusion constant (D ) scales, surprisingly, as N-α, with α =0.39 at high pH and 0.5 at neutral pH, indicating a dramatic breakdown of Stokes-Einstein relation for diffusion of charged nanoscopic molecules. The variation in D as a function of radius of gyration demonstrates the importance of treating water and ions explicitly in the diffusion process of a flexible nanoscopic molecule. In agreement with recent experiments, the self-diffusion constant increases with pH, revealing the importance of dielectric friction in the diffusion process. The shape of a dendrimer is found to fluctuate on a nanosecond time scale. We argue that this flexibility (and also the porosity) of the dendrimer may play an important role in determining the mean square displacement of the dendrimer and the breakdown of the Stokes-Einstein relation between diffusion constant and the radius.

  17. Diffusion coefficients of nickel chloride in aqueous solutions of lactose at T = 298.15 K and T = 310.15 K

    International Nuclear Information System (INIS)

    Ribeiro, Ana C.F.; Gomes, Joselaine C.S.; Barros, Marisa C.F.; Lobo, Victor M.M.; Esteso, Miguel A.

    2011-01-01

    Binary mutual diffusion coefficients (interdiffusion coefficients) of nickel chloride in water at T = 298.15 K and T = 310.15 K, and at concentrations between (0.000 and 0.100) mol · dm -3 , using a Taylor dispersion method have been measured. These data are discussed on the basis of the Onsager-Fuoss and Pikal models. The equivalent conductance at infinitesimal concentration of the nickel ion in these solutions at T = 310.15 K has been estimated using these results. Through the same technique, ternary mutual diffusion coefficients (D 11 , D 22 , D 12 , and D 21 ) for aqueous solutions containing NiCl 2 and lactose, at T = 298.15 K and T = 310.15 K, and at different carrier concentrations were also measured. These data permit us to have a better understanding of the structure of these systems and the thermodynamic behaviour of NiCl 2 in different media.

  18. Theoretical and experimental determination of matrix diffusion and related solute transport properties of fractured tuffs from the Nevada Test Site

    International Nuclear Information System (INIS)

    Walter, G.R.

    1982-10-01

    Theoretical and experimental studies of the chemical and physical factors which affect molecular diffusion of dissolved substances from fractures into a tuffaceous rock matrix have been made on rocks from G-Tunnel and Yucca Mountain at the Nevada Test Site (NTS). A variety of groundwater tracers, which may be useful in field tests at the NTS, have also been developed and tested. Although a number of physical/chemical processes may cause nonconvective transport of dissolved species from fractures into the tuff matrix, molecular diffusion seems to be the most important process. Molecular diffusion in these rocks is controlled by the composition of the groundwater through multicomponent effects and several rock properties. The porosities of the samples studied ranged from about 0.1 to 0.4. The constrictivity-tortuosity parameter ranged from 0.1 and 0.3 and effective matrix-diffusion coefficients were measured to be between 2 to 17. x 10 -7 c, 2 /s for sodium halides and sodium pentafluorobenzoate. Total porosity was found to be the principle factor accounting for the variation in effective diffusion coefficients. The constrictivity-tortuosity factor was found to have a fair correlation (r = 0.75) with the median pore diameters measured by mercury intrusion. Measurements of bulk-rock electrical impedance changes with frequency indicate that the constrictivity factor has a maximum value of 0.8 to 1, but may be smaller. If the larger values are correct, then the diffusion paths in tuff are more tortuous than in granular media. Computation of the full diffusion-coefficient matrix for various tracers in J-13 well water from the NTS indicates coupling of the diffusion fluxes of all ionic species. These effects are being incorporated into a numerical model of multicomponent-matrix diffusion

  19. Laser-induced luminescence lifetime measurement as an analytical probe for speciation of poly carboxylates in aqueous solutions

    International Nuclear Information System (INIS)

    Yoshio Takahashi; Takaumi Kimura; Yoshiharu Kato; Yoshitaka Minai

    2001-01-01

    Luminescence from lanthanide or actinide ion is influenced by hydration structure of the ion in aqueous solution system. In particular lifetime of the luminescence has been regarded as a measure of hydration number of the lanthanide or the actinide ion based on the studies on lifetime measurement of the ion in solid and solution system. Compared with other technique like NMR to determine the hydration number, laser induced lifetime measurement is advantageous in sensitivity and selectivity. This allows us to apply this method to determining the hydration number of lanthanide or actinide ion even at low concentration. (authors)

  20. Determination of 13C CSA Tensors: Extension of the Model-independent Approach to an RNA Kissing Complex Undergoing Anisotropic Rotational Diffusion in Solution

    International Nuclear Information System (INIS)

    Ravindranathan, Sapna; Kim, Chul-Hyun; Bodenhausen, Geoffrey

    2005-01-01

    Chemical shift anisotropy (CSA) tensor parameters have been determined for the protonated carbons of the purine bases in an RNA kissing complex in solution by extending the model-independent approach [Fushman, D., Cowburn, D. (1998) J. Am. Chem. Soc. 120, 7109-7110]. A strategy for determining CSA tensor parameters of heteronuclei in isolated X-H two-spin systems (X = 13 C or 15 N) in molecules undergoing anisotropic rotational diffusion is presented. The original method relies on the fact that the ratio κ 2 =R 2 auto /R 2 cross of the transverse auto- and cross-correlated relaxation rates involving the X CSA and the X-H dipolar interaction is independent of parameters related to molecular motion, provided rotational diffusion is isotropic. However, if the overall motion is anisotropic κ 2 depends on the anisotropy D parallel /D -perpendicular of rotational diffusion. In this paper, the field dependence of both κ 2 and its longitudinal counterpart κ 1 =R 1 auto /R 1 cross are determined. For anisotropic rotational diffusion, our calculations show that the average κ av = 1/2 (κ 1 +κ 2 ), of the ratios is largely independent of the anisotropy parameter D parallel /D -perpendicular . The field dependence of the average ratio κ av may thus be utilized to determine CSA tensor parameters by a generalized model-independent approach in the case of molecules with an overall motion described by an axially symmetric rotational diffusion tensor

  1. Mittag-Leffler functions as solutions of relaxation-oscillation and diffusion-wave fractional order equation

    International Nuclear Information System (INIS)

    Sandev, D. Trivche

    2010-01-01

    The fractional calculus basis, Mittag-Leffler functions, various relaxation-oscillation and diffusion-wave fractional order equation and systems of fractional order equations are considered in this thesis. To solve these fractional order equations analytical methods, such as the Laplace transform method and method of separation of variables are employed. Some applications of the fractional calculus are considered, particularly physical system with anomalous diffusive behavior. (Author)

  2. An improved neutral diffusion model and numerical solution of the two dimensional edge plasma fluid equations. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Prinja, A.K.

    1998-09-01

    In this work, it has been shown that, for the given sets of parameters (transport coefficients), the Tangent-Predictor (TP) continuation method, which was used in the coarsest grid, works remarkably well. The problems in finding an initial guess that resides well within Newton`s method radius of convergence are alleviated by correcting the initial guess by the predictor step of the TP method. The TP method works well also in neutral gas puffing and impurity simulations. The neutral gas puffing simulation is performed by systematically increasing the fraction of puffing rate according to the TP method until it reaches a desired condition. Similarly, the impurity simulation characterized by using the fraction of impurity density as the continuation parameter, is carried out in line with the TP method. Both methods show, as expected, a better performance than the classical embedding (CE) method. The convergence criteria {epsilon} is set to be 10{sup {minus}9} based on the fact that lower value of {epsilon} does not alter the solution significantly. Correspondingly, the number of Newton`s iterations in the corrector step of the TP method decrease substantially, an extra point in terms of code speed. The success of the TP method enlarges the possibility of including other sets of parameters (operations and physics). With the availability of the converged coarsest grid solution, the next forward step to the multigrid cycle becomes possible. The multigrid method shows that the memory storage problems that plagued the application of Newton`s method on fine grids, are of no concern. An important result that needs to be noted here is the performance of the FFCD model. The FFCD model is relatively simple and is based on the overall results the model has shown to predict different divertor plasma parameters. The FFCD model treats exactly the implementation of the deep penetration of energetic neutrals emerging from the divertor plate. The resulting ionization profiles are

  3. An improved neutral diffusion model and numerical solution of the two dimensional edge plasma fluid equations. Final report

    International Nuclear Information System (INIS)

    Prinja, A.K.

    1998-01-01

    In this work, it has been shown that, for the given sets of parameters (transport coefficients), the Tangent-Predictor (TP) continuation method, which was used in the coarsest grid, works remarkably well. The problems in finding an initial guess that resides well within Newton's method radius of convergence are alleviated by correcting the initial guess by the predictor step of the TP method. The TP method works well also in neutral gas puffing and impurity simulations. The neutral gas puffing simulation is performed by systematically increasing the fraction of puffing rate according to the TP method until it reaches a desired condition. Similarly, the impurity simulation characterized by using the fraction of impurity density as the continuation parameter, is carried out in line with the TP method. Both methods show, as expected, a better performance than the classical embedding (CE) method. The convergence criteria ε is set to be 10 -9 based on the fact that lower value of ε does not alter the solution significantly. Correspondingly, the number of Newton's iterations in the corrector step of the TP method decrease substantially, an extra point in terms of code speed. The success of the TP method enlarges the possibility of including other sets of parameters (operations and physics). With the availability of the converged coarsest grid solution, the next forward step to the multigrid cycle becomes possible. The multigrid method shows that the memory storage problems that plagued the application of Newton's method on fine grids, are of no concern. An important result that needs to be noted here is the performance of the FFCD model. The FFCD model is relatively simple and is based on the overall results the model has shown to predict different divertor plasma parameters. The FFCD model treats exactly the implementation of the deep penetration of energetic neutrals emerging from the divertor plate. The resulting ionization profiles are relatively smooth as a

  4. Carbon dots as fluorescent probes for "off-on" detection of Cu2+ and L-cysteine in aqueous solution.

    Science.gov (United States)

    Zong, Jie; Yang, Xiaoling; Trinchi, Adrian; Hardin, Simon; Cole, Ivan; Zhu, Yihua; Li, Chunzhong; Muster, Tim; Wei, Gang

    2014-01-15

    Copper ion (Cu(2+)) and L-cysteine (L-Cys) detection is critically important since an abnormal level of Cu(2+) or L-Cys is an indicator for many diseases. In this paper, we demonstrate an "off-on" approach for highly sensitive and selective detection of Cu(2+) and L-Cys using carbon dots (CDs) as fluorescent probes. CDs were prepared by using mesoporous silica (MS) spheres as nanoreactors. The binding ability of CDs towards metal ions was examined by comparing the fluorescence intensities of CDs before and after the addition of the metal ions. The addition of Cu(2+) cations leads to their absorption on the surface of CDs and the significant fluorescence quench of CDs (turn-off). The resulting in CDs-Cu(2+) system was found to be sensitive to L-Cys. The addition of L-Cys not only serves to shelter the CDs effectively from being quenched, but also to reverse the quenching and restore the fluorescence (turn-on) due to its ability to remove Cu(2+) from the surface of CDs. This method is facile, rapid, low cost, and environment-friendly. A detection limit as low as 2.3×10(-8) M for Cu(2+) and 3.4×10(-10) M for L-Cys is obtained, which is promising for biological applications. © 2013 Elsevier B.V. All rights reserved.

  5. The diffusion behaviour of hydrogen in a low alloyed carbon steel with respect to the deformation level and to the passivation process in alkaline solutions

    International Nuclear Information System (INIS)

    Juilfs, G.G.

    2001-01-01

    The diffusion behaviour of hydrogen in a low alloyed carbon steel with respect to the deformation level and to the passivation process in alkaline solutions. The influence of plastic strain on the diffusion behaviour of hydrogen in a low alloyed structural steel (FeE 690T) was investigated using the electrochemical permeation technique. The plastic deformation was introduced either by cold rolling or by tensile straining. Specially prepared C(T)-specimen enabled the direct determination of the diffusion coefficient in the highly deformed region ahead of a blunting crack. It was shown, that the apparent diffusion coefficient depends on the plastic strain and on the overall hydrogen concentration, whereas the maximum hydrogen flux remained almost unchanged. These observations are interpreted in terms of variations in the dislocation density, which act as 'sinks' for the diffusable hydrogen atoms. The results are compared with model calculations, that describe the hydrogen transport as a function of the trap density. The comparison of the numerical simulation and the experimental data shows a good agreement over the whole range of plastic strain levels, leading to a trap density of 6.1.10 19 /d 3 . Together with the results of a previous study on the fracture toughness of FeE 690T in the presence of hydrogen the permeation data obtained in this work suggest that the observed influence of deformation rates on the fracture mechanism can be attributed to the reduced mobility of hydrogen atoms in the plastic zone. The assumption that the hydrogen transport during monotonic straining is controlled by diffusion was confirmed by investigations concerning the formation of surface films. Using a potentiodynamic method (cyclovoltammetry) a characterisation of the surface reactions involved in permeation experiments was performed. It was shown that the nature of the passive layers forming on the surface depends on the applied potential, affecting mainly the hydrogen absorption

  6. Assessing lateral flows and solute transport during floods in a conduit-flow-dominated karst system using the inverse problem for the advection-diffusion equation

    Science.gov (United States)

    Cholet, Cybèle; Charlier, Jean-Baptiste; Moussa, Roger; Steinmann, Marc; Denimal, Sophie

    2017-07-01

    The aim of this study is to present a framework that provides new ways to characterize the spatio-temporal variability of lateral exchanges for water flow and solute transport in a karst conduit network during flood events, treating both the diffusive wave equation and the advection-diffusion equation with the same mathematical approach, assuming uniform lateral flow and solute transport. A solution to the inverse problem for the advection-diffusion equations is then applied to data from two successive gauging stations to simulate flows and solute exchange dynamics after recharge. The study site is the karst conduit network of the Fourbanne aquifer in the French Jura Mountains, which includes two reaches characterizing the network from sinkhole to cave stream to the spring. The model is applied, after separation of the base from the flood components, on discharge and total dissolved solids (TDSs) in order to assess lateral flows and solute concentrations and compare them to help identify water origin. The results showed various lateral contributions in space - between the two reaches located in the unsaturated zone (R1), and in the zone that is both unsaturated and saturated (R2) - as well as in time, according to hydrological conditions. Globally, the two reaches show a distinct response to flood routing, with important lateral inflows on R1 and large outflows on R2. By combining these results with solute exchanges and the analysis of flood routing parameters distribution, we showed that lateral inflows on R1 are the addition of diffuse infiltration (observed whatever the hydrological conditions) and localized infiltration in the secondary conduit network (tributaries) in the unsaturated zone, except in extreme dry periods. On R2, despite inflows on the base component, lateral outflows are observed during floods. This pattern was attributed to the concept of reversal flows of conduit-matrix exchanges, inducing a complex water mixing effect in the saturated zone

  7. Assessing lateral flows and solute transport during floods in a conduit-flow-dominated karst system using the inverse problem for the advection–diffusion equation

    Directory of Open Access Journals (Sweden)

    C. Cholet

    2017-07-01

    Full Text Available The aim of this study is to present a framework that provides new ways to characterize the spatio-temporal variability of lateral exchanges for water flow and solute transport in a karst conduit network during flood events, treating both the diffusive wave equation and the advection–diffusion equation with the same mathematical approach, assuming uniform lateral flow and solute transport. A solution to the inverse problem for the advection–diffusion equations is then applied to data from two successive gauging stations to simulate flows and solute exchange dynamics after recharge. The study site is the karst conduit network of the Fourbanne aquifer in the French Jura Mountains, which includes two reaches characterizing the network from sinkhole to cave stream to the spring. The model is applied, after separation of the base from the flood components, on discharge and total dissolved solids (TDSs in order to assess lateral flows and solute concentrations and compare them to help identify water origin. The results showed various lateral contributions in space – between the two reaches located in the unsaturated zone (R1, and in the zone that is both unsaturated and saturated (R2 – as well as in time, according to hydrological conditions. Globally, the two reaches show a distinct response to flood routing, with important lateral inflows on R1 and large outflows on R2. By combining these results with solute exchanges and the analysis of flood routing parameters distribution, we showed that lateral inflows on R1 are the addition of diffuse infiltration (observed whatever the hydrological conditions and localized infiltration in the secondary conduit network (tributaries in the unsaturated zone, except in extreme dry periods. On R2, despite inflows on the base component, lateral outflows are observed during floods. This pattern was attributed to the concept of reversal flows of conduit–matrix exchanges, inducing a complex water mixing effect

  8. Probing the Energy Level Alignment and the Correlation with Open-Circuit Voltage in Solution-Processed Polymeric Bulk Heterojunction Photovoltaic Devices.

    Science.gov (United States)

    Yang, Qing-Dan; Li, Ho-Wa; Cheng, Yuanhang; Guan, Zhiqiang; Liu, Taili; Ng, Tsz-Wai; Lee, Chun-Sing; Tsang, Sai-Wing

    2016-03-23

    Energy level alignment at the organic donor and acceptor interface is a key to determine the photovoltaic performance in organic solar cells, but direct probing of such energy alignment is still challenging especially for solution-processed bulk heterojunction (BHJ) thin films. Here we report a systematic investigation on probing the energy level alignment with different approaches in five commonly used polymer:[6,6]-phenyl-C71-butyric acid methyl ester (PCBM) BHJ systems. We find that by tuning the weight ratio of polymer to PCBM the electronic features from both polymer and PCBM can be obtained by photoemission spectroscopy. Using this approach, we find that some of the BHJ blends simply follow vacuum level alignment, but others show strong energy level shifting as a result of Fermi level pinning. Independently, by measuring the temperature-dependent open-circuit voltage (VOC), we find that the effective energy gap (Eeff), the energy difference between the highest occupied molecular orbital of the polymer donor (EHOMO-D) and lowest unoccupied molecular orbital of the PCBM acceptor (ELUMO-A), obtained by photoemission spectroscopy in all polymer:PCBM blends has an excellent agreement with the extrapolated VOC at 0 K. Consequently, the photovoltage loss of various organic BHJ photovoltaic devices at room temperature is in a range of 0.3-0.6 V. It is believed that the demonstrated direct measurement approach of the energy level alignment in solution-processed organic BHJ will bring deeper insight into the origin of the VOC and the corresponding photovoltage loss mechanism in organic photovoltaic cells.

  9. Discontinuous finite element solution of the radiation diffusion equation on arbitrary polygonal meshes and locally adapted quadrilateral grids

    International Nuclear Information System (INIS)

    Ragusa, Jean C.

    2015-01-01

    In this paper, we propose a piece-wise linear discontinuous (PWLD) finite element discretization of the diffusion equation for arbitrary polygonal meshes. It is based on the standard diffusion form and uses the symmetric interior penalty technique, which yields a symmetric positive definite linear system matrix. A preconditioned conjugate gradient algorithm is employed to solve the linear system. Piece-wise linear approximations also allow a straightforward implementation of local mesh adaptation by allowing unrefined cells to be interpreted as polygons with an increased number of vertices. Several test cases, taken from the literature on the discretization of the radiation diffusion equation, are presented: random, sinusoidal, Shestakov, and Z meshes are used. The last numerical example demonstrates the application of the PWLD discretization to adaptive mesh refinement

  10. Exact Solution of Fractional Diffusion Model with Source Term used in Study of Concentration of Fission Product in Uranium Dioxide Particle

    International Nuclear Information System (INIS)

    Fang Chao; Cao Jianzhu; Sun Lifeng

    2011-01-01

    The exact solution of fractional diffusion model with a location-independent source term used in the study of the concentration of fission product in spherical uranium dioxide (UO 2 ) particle is built. The adsorption effect of the fission product on the surface of the UO 2 particle and the delayed decay effect are also considered. The solution is given in terms of Mittag-Leffler function with finite Hankel integral transformation and Laplace transformation. At last, the reduced forms of the solution under some special physical conditions, which is used in nuclear engineering, are obtained and corresponding remarks are given to provide significant exact results to the concentration analysis of nuclear fission products in nuclear reactor. (nuclear physics)

  11. Solutions of Cattaneo-Hristov model of elastic heat diffusion with Caputo-Fabrizio and Atangana-Baleanu fractional derivatives

    Directory of Open Access Journals (Sweden)

    Koca Ilknur

    2017-01-01

    Full Text Available Recently Hristov using the concept of a relaxation kernel with no singularity developed a new model of elastic heat diffusion equation based on the Caputo-Fabrizio fractional derivative as an extended version of Cattaneo model of heat diffusion equation. In the present article, we solve exactly the Cattaneo-Hristov model and extend it by the concept of a derivative with non-local and non-singular kernel by using the new Atangana-Baleanu derivative. The Cattaneo-Hristov model with the extended derivative is solved analytically with the Laplace transform, and numerically using the Crank-Nicholson scheme.

  12. Rotational diffusion of nonpolar and ionic solutes in 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imides: is solute rotation always influenced by the length of the alkyl chain on the imidazolium cation?

    Science.gov (United States)

    Gangamallaiah, V; Dutt, G B

    2012-10-25

    In an attempt to find out whether the length of the alkyl chain on the imidazolium cation has a bearing on solute rotation, temperature-dependent fluorescence anisotropies of three structurally similar solutes have been measured in a series of 1-alkyl-3-methylimidazolium (alkyl = methyl, ethyl, propyl, butyl, and hexyl) bis(trifluoromethylsulfonyl)imides. Solute-solvent coupling constants obtained from the experimentally measured reorientation times with the aid of Stokes-Einstein-Debye hydrodynamic theory indicate that there is no influence of the length of the alkyl chain on the rotation of nonpolar, anionic, and cationic solutes 9-phenylanthracene (9-PA), fluorescein (FL), and rhodamine 110 (R110), respectively. It has also been noticed that the rotational diffusion of 9-PA is closer to the predictions of slip hydrodynamics, whereas the rotation of negatively charged FL and positively charged R110 is almost identical and follows stick hydrodynamics in these ionic liquids. Despite having similar shape and size, ionic solutes rotate slower by a factor of 3-4 compared to the nonpolar solute. Interplay of specific and electrostatic interactions between FL and the imidazolium cation of the ionic liquids, and between R110 and the bis(trifluoromethylsulfonyl)imide anion, appear to be responsible for the observed behavior. These results are an indication that the length of the alkyl chain on the imidazolium cation does not alter their physical properties in a manner that has an effect on solute rotation.

  13. Mutual diffusion coefficients of L-glutamic acid and monosodium L-glutamate in aqueous solutions at T = 298.15 K

    International Nuclear Information System (INIS)

    Ribeiro, Ana C.F.; Rodrigo, M.M.; Barros, Marisa C.F.; Verissimo, Luis M.P.; Romero, Carmen; Valente, Artur J.M.; Esteso, Miguel A.

    2014-01-01

    Highlights: • Interdiffusion coefficients of L-glutamic acid and sodium L-glutamate were measured. • The L-glutamic acid behaves as a monoprotic weak acid. • The sodium L-glutamate shows a symmetrical 1:1 non-associated behaviour. • Limiting diffusion coefficients and ionic conductivities were estimated. • Diffusion coefficients were discussed on the basis of the Onsager–Fuoss equations. - Abstract: Mutual diffusion coefficient values for binary aqueous solutions of both L-glutamic acid (H 2 Glu) and sodium L-glutamate (NaHGlu) were measured with the Taylor dispersion technique, at T = 298.15 K, and concentrations ranging from (0.001 to 0.100) mol · dm −3 . The results were discussed on the basis of the Onsager–Fuoss and the Nernst theoretical equations, by considering the H 2 Glu as a weak acid (monoprotic acid, with K 2 = 5.62 · 10 −5 ). The smaller values found for the acid with respect to those of the salt, confirm this association hypothesis. From the diffusion coefficient values at infinitesimal concentration, limiting ionic conductivities as well as the hydrodynamic radius of the hydrogen glutamate ion (HGlu − ) were derived and analyzed in terms of the chain methylene groups. The effect of different phenomena, such as association or complexation, were also taken into consideration and discussed. Values for the dissociation degree for H 2 Glu were also estimated

  14. Preliminary Formulation of Finite Element Solution for the 1-D, 1-G Time Dependent Neutron Diffusion Equation without Consideration about Delay Neutron

    Energy Technology Data Exchange (ETDEWEB)

    Ryu, Eun Hyun; Song, Yong Mann; Park, Joo Hwan [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2013-05-15

    If time-dependent equation is solved with the FEM, the limitation of the input geometry will disappear. It has often been pointed out that the numerical methods implemented in the RFSP code are not state-of-the-art. Although an acceleration method such as the Coarse Mesh Finite Difference (CMFD) for Finite Difference Method (FDM) does not exist for the FEM, one should keep in mind that the number of time steps for the transient simulation is not large. The rigorous formulation in this study will richen the theoretical basis of the FEM and lead to an extension of the dynamics code to deal with a more complicated problem. In this study, the formulation for the 1-D, 1-G Time Dependent Neutron Diffusion Equation (TDNDE) without consideration of the delay neutron will first be done. A problem including one multiplying medium will be solved. Also several conclusions from a comparison between the numerical and analytic solutions, a comparison between solutions with various element orders, and a comparison between solutions with different time differencing will be made to be certain about the formulation and FEM solution. By investigating various cases with different values of albedo, theta, and the order of elements, it can be concluded that the finite element solution is agree well with the analytic solution. The higher the element order used, the higher the accuracy improvements are obtained.

  15. Determination of neutron buildup factor using analytical solution of one-dimensional neutron diffusion equation in cylindrical geometry

    Energy Technology Data Exchange (ETDEWEB)

    Fernandes, Julio Cesar L.; Vilhena, Marco Tullio, E-mail: julio.lombaldo@ufrgs.b, E-mail: vilhena@pq.cnpq.b [Universidade Federal do Rio Grande do Sul (DMPA/UFRGS), Porto Alegre, RS (Brazil). Dept. de Matematica Pura e Aplicada. Programa de Pos Graduacao em Matematica Aplicada; Borges, Volnei; Bodmann, Bardo Ernest, E-mail: bardo.bodmann@ufrgs.b, E-mail: borges@ufrgs.b [Universidade Federal do Rio Grande do Sul (PROMEC/UFRGS), Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia Mecanica

    2011-07-01

    The principal idea of this work, consist on formulate an analytical method to solved problems for diffusion of neutrons with isotropic scattering in one-dimensional cylindrical geometry. In this area were develop many works that study the same problem in different system of coordinates as well as cartesian system, nevertheless using numerical methods to solve the shielding problem. In view of good results in this works, we starting with the idea that we can represent a source in the origin of the cylindrical system by a Delta Dirac distribution, we describe the physical modeling and solved the neutron diffusion equation inside of cylinder of radius R. For the case of transport equation, the formulation of discrete ordinates S{sub N} consists in discretize the angular variables in N directions and in using a quadrature angular set for approximate the sources of scattering, where the Diffusion equation consist on S{sub 2} approximated transport equation in discrete ordinates. We solved the neutron diffusion equation with an analytical form by the finite Hankel transform. Was presented also the build-up factor for the case that we have neutron flux inside the cylinder. (author)

  16. A nonequilibrium simulation method for calculating tracer diffusion coefficients of small solutes in n-alkane liquids and polymers

    NARCIS (Netherlands)

    van der Vegt, N.F.A.; Briels, Willem J.; Wessling, Matthias; Strathmann, H.

    1998-01-01

    The tracer diffusion coefficients of methane in n-alkane liquids of increasing chain length were calculated by measuring the friction from short time nonequilibrium molecular dynamics simulations. The frictional constant was calculated from the exponentially decaying distance between two methane

  17. Determination of neutron buildup factor using analytical solution of one-dimensional neutron diffusion equation in cylindrical geometry

    International Nuclear Information System (INIS)

    Fernandes, Julio Cesar L.; Vilhena, Marco Tullio; Borges, Volnei; Bodmann, Bardo Ernest

    2011-01-01

    The principal idea of this work, consist on formulate an analytical method to solved problems for diffusion of neutrons with isotropic scattering in one-dimensional cylindrical geometry. In this area were develop many works that study the same problem in different system of coordinates as well as cartesian system, nevertheless using numerical methods to solve the shielding problem. In view of good results in this works, we starting with the idea that we can represent a source in the origin of the cylindrical system by a Delta Dirac distribution, we describe the physical modeling and solved the neutron diffusion equation inside of cylinder of radius R. For the case of transport equation, the formulation of discrete ordinates S N consists in discretize the angular variables in N directions and in using a quadrature angular set for approximate the sources of scattering, where the Diffusion equation consist on S 2 approximated transport equation in discrete ordinates. We solved the neutron diffusion equation with an analytical form by the finite Hankel transform. Was presented also the build-up factor for the case that we have neutron flux inside the cylinder. (author)

  18. Revisiting the Fundamental Analytical Solutions of Heat and Mass Transfer: The Kernel of Multirate and Multidimensional Diffusion

    Science.gov (United States)

    Zhou, Quanlin; Oldenburg, Curtis M.; Rutqvist, Jonny; Birkholzer, Jens T.

    2017-11-01

    There are two types of analytical solutions of temperature/concentration in and heat/mass transfer through boundaries of regularly shaped 1-D, 2-D, and 3-D blocks. These infinite-series solutions with either error functions or exponentials exhibit highly irregular but complementary convergence at different dimensionless times, td. In this paper, approximate solutions were developed by combining the error-function-series solutions for early times and the exponential-series solutions for late times and by using time partitioning at the switchover time, td0. The combined solutions contain either the leading term of both series for normal-accuracy approximations (with less than 0.003 relative error) or the first two terms for high-accuracy approximations (with less than 10-7 relative error) for 1-D isotropic (spheres, cylinders, slabs) and 2-D/3-D rectangular blocks (squares, cubes, rectangles, and rectangular parallelepipeds). This rapid and uniform convergence for rectangular blocks was achieved by employing the same time partitioning with individual dimensionless times for different directions and the product of their combined 1-D slab solutions. The switchover dimensionless time was determined to minimize the maximum approximation errors. Furthermore, the analytical solutions of first-order heat/mass flux for 2-D/3-D rectangular blocks were derived for normal-accuracy approximations. These flux equations contain the early-time solution with a three-term polynomial in √td and the late-time solution with the limited-term exponentials for rectangular blocks. The heat/mass flux equations and the combined temperature/concentration solutions form the ultimate kernel for fast simulations of multirate and multidimensional heat/mass transfer in porous/fractured media with millions of low-permeability blocks of varying shapes and sizes.

  19. Mobile Probing and Probes

    DEFF Research Database (Denmark)

    Duvaa, Uffe; Ørngreen, Rikke; Weinkouff Mathiasen, Anne-Gitte

    2013-01-01

    Mobile probing is a method, developed for learning about digital work situations, as an approach to discover new grounds. The method can be used when there is a need to know more about users and their work with certain tasks, but where users at the same time are distributed (in time and space......). Mobile probing was inspired by the cultural probe method, and was influenced by qualitative interview and inquiry approaches. The method has been used in two subsequent projects, involving school children (young adults at 15-17 years old) and employees (adults) in a consultancy company. Findings point...... to mobile probing being a flexible method for uncovering the unknowns, as a way of getting rich data to the analysis and design phases. On the other hand it is difficult to engage users to give in depth explanations, which seem easier in synchronous dialogs (whether online or face2face). The development...

  20. Mobile Probing and Probes

    DEFF Research Database (Denmark)

    Duvaa, Uffe; Ørngreen, Rikke; Weinkouff, Anne-Gitte

    2012-01-01

    Mobile probing is a method, which has been developed for learning about digital work situations, as an approach to discover new grounds. The method can be used when there is a need to know more about users and their work with certain tasks, but where users at the same time are distributed (in time...... and space). Mobile probing was inspired by the cultural probe method, and was influenced by qualitative interview and inquiry approaches. The method has been used in two subsequent projects, involving school children (young adults at 15-17 years old) and employees (adults) in a consultancy company. Findings...... point to mobile probing being a flexible method for uncovering the unknowns, as a way of getting rich data to the analysis and design phases. On the other hand it is difficult to engage users to give in depth explanations, which seem easier in synchronous dialogs (whether online or face2face...

  1. Probing into the effects of a magnetic field on the electrode processes of iron in sulphuric acid solutions with dichromate based on the fundamental electrochemistry kinetics

    International Nuclear Information System (INIS)

    Lu Zhanpeng; Huang Delun; Yang Wu

    2005-01-01

    The effects of an applied magnetic field on the electrode processes of iron in sulphuric acid solutions with dichromate have been investigated by electrochemical measurements. Open circuit potentials, cathodic and anodic polarisation curves, values of polarisation resistance were measured in the presence or absence of a 0.4 T horizontal magnetic field (HMF). A potentiostatic polarisation plus magnetic field perturbation technique was used to study the effect of the magnetic field on open circuit corrosion. Cathodic reaction rates at open circuit potentials for iron in sulphuric acid solutions containing dichromate ions are controlled by both the electron-transfer process and the diffusion process. A magnetic field made the open circuit potential move in the positive direction, and changes of the open circuit potentials due to the magnetic field increase with increasing dichromate concentration. When iron was potentiostatically polarised at open circuit potentials in the absence of a magnetic field, a cathodic current was observed after a magnetic field was imposed. Such cathodic currents induced by the magnetic field increases with increasing dichromate concentration. The positive shifts of open circuit potential, the decrease of polarisation resistance, and the occurrence of cathodic currents induced by the magnetic field are caused by the accelerating effect of magnetic field on the cathodic diffusion process. Measured current densities showed lower, equal, or higher values in the presence of the magnetic field than those in the absence of a magnetic field at certain anodic potentials. This effect of the magnetic field is related to the contribution of the cathodic and anodic reactions to the measured current and the types of rate-determining steps for each reaction at certain potentials. The applied magnetic field significantly decreased the polarisation resistance. The experimental results in this paper are formulated based on the fundamental electrochemistry

  2. Solution of the two dimensional diffusion and transport equations in a rectangular lattice with an elliptical fuel element using Fourier transform methods: One and two group cases

    International Nuclear Information System (INIS)

    Williams, M.M.R.; Hall, S.K.; Eaton, M.D.

    2014-01-01

    Highlights: • A rectangular reactor cell with an elliptical fuel element. • Solution of transport and diffusion equations by Fourier expansion. • Numerical examples showing convergence. • Two group cell problems. - Abstract: A method for solving the diffusion and transport equations in a rectangular lattice cell with an elliptical fuel element has been developed using a Fourier expansion of the neutron flux. The method is applied to a one group model with a source in the moderator. The cell flux is obtained and also the associated disadvantage factor. In addition to the one speed case, we also consider the two group equations in the cell which now become an eigenvalue problem for the lattice multiplication factor. The method of solution relies upon an efficient procedure to solve a large set of simultaneous linear equations and for this we use the IMSL library routines. Our method is compared with the results from a finite element code. The main drawback of the problem arises from the very large number of terms required in the Fourier series which taxes the storage and speed of the computer. Nevertheless, useful solutions are obtained in geometries that would normally require the use of finite element or analogous methods, for this reason the Fourier method is useful for comparison with that type of numerical approach. Extension of the method to more intricate fuel shapes, such as stars and cruciforms as well as superpositions of these, is possible

  3. Probing localized strain in solution-derived YB a2C u3O7 -δ nanocomposite thin films

    Science.gov (United States)

    Guzman, Roger; Gazquez, Jaume; Mundet, Bernat; Coll, Mariona; Obradors, Xavier; Puig, Teresa

    2017-07-01

    Enhanced pinning due to nanoscale strain is unique to the high-Tc cuprates, where pairing may be modified with lattice distortion. Therefore a comprehensive understanding of the defect landscape is required for a broad range of applications. However, determining the type and distribution of defects and their associated strain constitutes a critical task, and for this aim, real-space techniques for atomic resolution characterization are necessary. Here, we use scanning transmission electron microscopy (STEM) to study the atomic structure of individual defects of solution-derived YB a2C u3O7 (YBCO) nanocomposites, where the inclusion of incoherent secondary phase nanoparticles within the YBCO matrix dramatically increases the density of Y1B a2C u4O8 (Y124) intergrowths, the commonest defect in YBCO thin films. The formation of the Y124 is found to trigger a concatenation of strain-derived interactions with other defects and the concomitant nucleation of intrinsic defects, which weave a web of randomly distributed nanostrained regions that profoundly transform the vortex-pinning landscape of the YBCO nanocomposite thin films.

  4. Sound velocities of skiagite-iron-majorite solid solution to 56 GPa probed by nuclear inelastic scattering

    Science.gov (United States)

    Vasiukov, D. M.; Ismailova, L.; Kupenko, I.; Cerantola, V.; Sinmyo, R.; Glazyrin, K.; McCammon, C.; Chumakov, A. I.; Dubrovinsky, L.; Dubrovinskaia, N.

    2018-05-01

    High-pressure experimental data on sound velocities of garnets are used for interpretation of seismological data related to the Earth's upper mantle and the mantle transition zone. We have carried out a Nuclear Inelastic Scattering study of iron-silicate garnet with skiagite (77 mol%)-iron-majorite composition in a diamond anvil cell up to 56 GPa at room temperature. The determined sound velocities are considerably lower than sound velocities of a number of silicate garnet end-members, such as grossular, pyrope, Mg-majorite, andradite, and almandine. The obtained sound velocities have the following pressure dependencies: V p [km/s] = 7.43(9) + 0.039(4) × P [GPa] and V s [km/s] = 3.56(12) + 0.012(6) × P [GPa]. We estimated sound velocities of pure skiagite and khoharite, and conclude that the presence of the iron-majorite component in skiagite strongly decreases V s . We analysed the influence of Fe3+ on sound velocities of garnet solid solution relevant to the mantle transition zone and consider that it may reduce sound velocities up to 1% relative to compositions with only Fe2+ in the cubic site.

  5. Permeability of solutes through cellophanes grafted with vinyl monomers. I. Diffusion of potassium chloride, urea, and uric acid

    International Nuclear Information System (INIS)

    Takigami, S.; Maeda, Y.; Nakamura, Y.

    1979-01-01

    The diffusive permeability of potassium chloride, urea, and uric acid through cellophanes grafted with acrylamide, acrylic acid, styrene, and N-vinyl-2-pyrrolidone by γ-ray irradiation was studied. The diffusive permeability coefficients of the permeants through the grafted cellophanes were increased with increase in hydration of the grafted membranes, except for the permeation of potassium chloride through cellophanes grafted with acrylic acid. The permeation of potassium chloride, urea, and uric acid through the various grafted cellophanes is explained by the free volume concept of homogeneously water-swollen membranes. However, the behavior of the permeation of potassium chloride through cellophane grafted with acrylic acid deviated from that of nonionic membranes because of the contribution of the electrical interaction between electrolyte and charge of the membrane. 4 figures, 3 tables

  6. Potential contamination of shipboard air samples by diffusive emissions of PCBs and other organic pollutants: implications and solutions.

    Science.gov (United States)

    Lohmann, Rainer; Jaward, Foday M; Durham, Louise; Barber, Jonathan L; Ockenden, Wendy; Jones, Kevin C; Bruhn, Regina; Lakaschus, Soenke; Dachs, Jordi; Booij, Kees

    2004-07-15

    Air samples were taken onboard the RRS Bransfield on an Atlantic cruise from the United Kingdom to Halley, Antarctica, from October to December 1998, with the aim of establishing PCB oceanic background air concentrations and assessing their latitudinal distribution. Great care was taken to minimize pre- and post-collection contamination of the samples, which was validated through stringent QA/QC procedures. However, there is evidence that onboard contamination of the air samples occurred,following insidious, diffusive emissions on the ship. Other data (for PCBs and other persistent organic pollutants (POPs)) and examples of shipboard contamination are presented. The implications of these findings for past and future studies of global POPs distribution are discussed. Recommendations are made to help critically appraise and minimize the problems of insidious/diffusive shipboard contamination.

  7. Time-independent hybrid enrichment for finite element solution of transient conduction–radiation in diffusive grey media

    Energy Technology Data Exchange (ETDEWEB)

    Mohamed, M. Shadi, E-mail: m.s.mohamed@durham.ac.uk [School of Engineering and Computing Sciences, University of Durham, South Road, Durham DH1 3LE (United Kingdom); Seaid, Mohammed; Trevelyan, Jon [School of Engineering and Computing Sciences, University of Durham, South Road, Durham DH1 3LE (United Kingdom); Laghrouche, Omar [Institute for Infrastructure and Environment, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)

    2013-10-15

    We investigate the effectiveness of the partition-of-unity finite element method for transient conduction–radiation problems in diffusive grey media. The governing equations consist of a semi-linear transient heat equation for the temperature field and a stationary diffusion approximation to the radiation in grey media. The coupled equations are integrated in time using a semi-implicit method in the finite element framework. We show that for the considered problems, a combination of hyperbolic and exponential enrichment functions based on an approximation of the boundary layer leads to improved accuracy compared to the conventional finite element method. It is illustrated that this approach can be more efficient than using h adaptivity to increase the accuracy of the finite element method near the boundary walls. The performance of the proposed partition-of-unity method is analyzed on several test examples for transient conduction–radiation problems in two space dimensions.

  8. Hydroxy protons as structural probes to reveal hydrogen bonding properties of polyols in aqueous solution by NMR spectroscopy

    Science.gov (United States)

    Oruc, Gizem; Varnali, Tereza; Bekiroglu, Somer

    2018-05-01

    The solution properties of ethylene glycol (ethane-1,2-diol), glycerol (propane-1,2,3-triol), erythritol ((2R,3S)-butane-1,2,3,4-tetraol), D-xylitol ((2R,3r,4S)-pentane-1,2,3,4,5-pentaol), D-mannitol ((2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexaol), and D-sorbitol ((2S,3R,4R,5R)-hexane-1,2,3,4,5,6-hexaol), constituting a subgroup of polyalcohols/polyols of maximum six carbon atoms have been investigated using 1H NMR chemical shifts, coupling constants, temperature coefficients, and chemical exchange rates of hydroxy protons in aqueous medium. Relative within a molecule, minimum two-fold difference in rate of exchange values and higher temperature dependence of chemical shifts of the hydroxy protons on terminal carbon atoms confirm that sustainable hydrogen bonding interactions is accentuated for the hydroxyl groups on secondary carbons. Compared to the primary carbons i.e. terminal ones, the hydroxy protons on second and third carbon atoms exhibit much lower rate of exchange and smaller temperature coefficients, indicating that they are further involved in transient hydrogen bonding interactions. Scalar 3JOH,CH-couplings ranging between 3.9 and 7.2 Hz imply that the hydroxyl groups are practically in free rotation regime. Examination of the chemical shift differences with respect to the shift of glycol hydroxy proton reveals that the disparity between terminal and inner hydroxyl groups disclosed by the exchange rates and temperature coefficients is sustained with the exception of 0.003 and 0.053 ppm for O(3)H of mannitol and O(5)H of sorbitol respectively. The experimental findings have been augmented by quantum chemical calculations targeting theoretical NMR chemical shifts, as well as the conformational analysis of the structures.

  9. An asymptotic analytical solution to the problem of two moving boundaries with fractional diffusion in one-dimensional drug release devices

    International Nuclear Information System (INIS)

    Yin Chen; Xu Mingyu

    2009-01-01

    We set up a one-dimensional mathematical model with a Caputo fractional operator of a drug released from a polymeric matrix that can be dissolved into a solvent. A two moving boundaries problem in fractional anomalous diffusion (in time) with order α element of (0, 1] under the assumption that the dissolving boundary can be dissolved slowly is presented in this paper. The two-parameter regular perturbation technique and Fourier and Laplace transform methods are used. A dimensionless asymptotic analytical solution is given in terms of the Wright function

  10. A comprehensive solution for simulating ultra-shallow junctions: From high dose/low energy implant to diffusion annealing

    International Nuclear Information System (INIS)

    Boucard, F.; Roger, F.; Chakarov, I.; Zhuk, V.; Temkin, M.; Montagner, X.; Guichard, E.; Mathiot, D.

    2005-01-01

    This paper presents a global approach permitting accurate simulation of the process of ultra-shallow junctions. Physically based models of dopant implantation (BCA) and diffusion (including point and extended defects coupling) are integrated within a unique simulation tool. A useful set of the relevant parameters has been obtained through an original calibration methodology. It is shown that this approach provides an efficient tool for process modelling

  11. A comprehensive solution for simulating ultra-shallow junctions: From high dose/low energy implant to diffusion annealing

    Energy Technology Data Exchange (ETDEWEB)

    Boucard, F. [Silvaco Data Systems, 55 Rue Blaise Pascal, F38330 Montbonnot (France)]. E-mail: Frederic.Boucard@silvaco.com; Roger, F. [Silvaco Data Systems, 55 Rue Blaise Pascal, F38330 Montbonnot (France); Chakarov, I. [Silvaco Data Systems, 55 Rue Blaise Pascal, F38330 Montbonnot (France); Zhuk, V. [Silvaco Data Systems, 55 Rue Blaise Pascal, F38330 Montbonnot (France); Temkin, M. [Silvaco Data Systems, 55 Rue Blaise Pascal, F38330 Montbonnot (France); Montagner, X. [Silvaco Data Systems, 55 Rue Blaise Pascal, F38330 Montbonnot (France); Guichard, E. [Silvaco Data Systems, 55 Rue Blaise Pascal, F38330 Montbonnot (France); Mathiot, D. [InESS, CNRS and Universite Louis Pasteur, 23 Rue du Loess, F67037 Strasbourg (France)]. E-mail: Daniel.Mathiot@iness.c-strasbourg.fr

    2005-12-05

    This paper presents a global approach permitting accurate simulation of the process of ultra-shallow junctions. Physically based models of dopant implantation (BCA) and diffusion (including point and extended defects coupling) are integrated within a unique simulation tool. A useful set of the relevant parameters has been obtained through an original calibration methodology. It is shown that this approach provides an efficient tool for process modelling.

  12. Analytical solutions of linear diffusion and wave equations in semi-infinite domains by using a new integral transform

    Directory of Open Access Journals (Sweden)

    Gao Lin

    2017-01-01

    Full Text Available Recently, a new integral transform similar to Sumudu transform has been proposed by Yang [1]. Some of the properties of the integral transform are expanded in the present article. Meanwhile, new applications to the linear wave and diffusion equations in semi-infinite domains are discussed in detail. The proposed method provides an alternative approach to solve the partial differential equations in mathematical physics.

  13. Preparation, characterization and evaluation of water-soluble L-cysteine-capped-CdS nanoparticles as fluorescence probe for detection of Hg(II) in aqueous solution

    International Nuclear Information System (INIS)

    Cai Zhaoxia; Yang Hong; Zhang Yi; Yan Xiuping

    2006-01-01

    Water-soluble L-cysteine-capped-CdS nanoparticles were prepared in aqueous solution at room temperature through a straightforward one-pot process by using safe and low-cost inorganic salts as precursors, and characterized by transmission electron microscopy, X-ray diffraction spectrometry, Fourier transform infrared spectrometry, spectrofluorometry and ultraviolet-visible spectrometry. The prepared L-cysteine-capped-CdS nanoparticles were evaluated as fluorescence probe for Hg(II) detection. The fluorescence quenching of the L-cysteine-capped-CdS nanoparticles depended on the concentration and pH of Hg(II) solution. Maximum fluorescence quenching was observed at pH 7.4 with the excitation and emission wavelengths of 360 nm and 495 nm, respectively. Quenching of its fluorescence due to Hg(II) at the 20 nmol l -1 level was unaffected by the presence of 5 x 10 6 -fold excesses of Na(I) and K(I), 5 x 10 5 -fold excesses of Mg(II), 5 x 10 4 -fold excesses of Ca(II), 500-fold excesses of Al(III), 91-fold excesses of Mn(II), 23.5-fold excesses of Pb(II), 25-fold excesses of Fe(III), 25-fold excesses of Ag(I), 8.5-fold excesses of Ni(II) and 5-fold excesses of Cu(II). Under optimal conditions, the quenched fluorescence intensity increased linearly with the concentration of Hg(II) ranging from 16 nmol l -1 to 112 nmol l -1 . The limit of detection for Hg(II) was 2.4 nmol l -1 . The developed method was applied to the detection of trace Hg(II) in aqueous solutions

  14. The largest Swiss diffusion storage system - Geology, petrophysics, hydro-geology and experience gained from the realisation of heat probes; Groesster saisonaler Diffusionsspeicher der Schweiz D4 in Root (LU): Geologie, Petrophysik, Hydrogeologie und Erfahrungen mit der Realisation des Sondenfeldes

    Energy Technology Data Exchange (ETDEWEB)

    Keller, B.

    2007-07-15

    This article takes a look at a large heat-diffusion storage system that is to be implemented in stages at a business and innovation centre in Root, near Lucerne in Switzerland. The aim is to meet 50 percent of energy needs using renewable energy. Apart from conventional oil and gas-fired systems, a combined heat and power (CHP) unit, heat and cold storage, a solar roof and photovoltaics, a seasonal underground diffusion storage system is used. This storage system is 'filled' with heat in summer from the roof and waste heat. It then functions in winter as a heat source. The system features two fields of 49, 160 metre-long heat probes that use a volume of 376,000 cubic metres of rock. The dimensioning of the rock-storage system was simulated using the PILESIM program and the first field was implemented in 2001. A geological overview is presented and the physical properties of the rock structures used are discussed. The temperature profile measured is presented and the precautions taken as a result of the possibility of meeting pockets of natural gas are discussed. Know-how gained from the implementation of the first probe field is discussed.

  15. Diffusion in solids

    International Nuclear Information System (INIS)

    Tiwari, G.P.; Kale, G.B.; Patil, R.V.

    1999-01-01

    The article presents a brief survey of process of diffusion in solids. It is emphasised that the essence of diffusion is the mass transfer through the atomic jumps. To begin with formal equations for diffusion coefficient are presented. This is followed by discussions on mechanisms of diffusion. Except for solutes which form interstitial solid solution, diffusion in majority of cases is mediated through exchange of sites between an atom and its neighbouring vacancy. Various vacancy parameters such as activation volume, correlation factor, mass effect etc are discussed and their role in establishing the mode of diffusion is delineated. The contribution of dislocations and grain boundaries in diffusion process is brought out. The experimental determination of different types of diffusion coefficients are described. Finally, the pervasive nature of diffusion process in number of commercial processes is outlined to show the importance of diffusion studies in materials science and technology. (author)

  16. A computational method for the coupled solution of reaction-diffusion equations on evolving domains and manifolds: Application to a model of cell migration and chemotaxis.

    Science.gov (United States)

    MacDonald, G; Mackenzie, J A; Nolan, M; Insall, R H

    2016-03-15

    In this paper, we devise a moving mesh finite element method for the approximate solution of coupled bulk-surface reaction-diffusion equations on an evolving two dimensional domain. Fundamental to the success of the method is the robust generation of bulk and surface meshes. For this purpose, we use a novel moving mesh partial differential equation (MMPDE) approach. The developed method is applied to model problems with known analytical solutions; these experiments indicate second-order spatial and temporal accuracy. Coupled bulk-surface problems occur frequently in many areas; in particular, in the modelling of eukaryotic cell migration and chemotaxis. We apply the method to a model of the two-way interaction of a migrating cell in a chemotactic field, where the bulk region corresponds to the extracellular region and the surface to the cell membrane.

  17. Proof of existence of global solutions for m-component reaction-diffusion systems with mixed boundary conditions via the Lyapunov functional method

    International Nuclear Information System (INIS)

    Abdelmalek, Salem; Kouachi, Said

    2007-01-01

    To prove global existence for solutions of m-component reaction-diffusion systems presents fundamental difficulties in the case in which some components of the system satisfy Neumann boundary conditions while others satisfy nonhomogeneous Dirichlet boundary conditions and nonhomogeneous Robin boundary conditions. The purpose of this paper is to prove the existence of a global solution using a single inequality for the polynomial growth condition of the reaction terms. Our technique is based on the construction of polynomial functionals. This result generalizes those obtained recently by Kouachi et al (at press), Kouachi (2002 Electron. J. Diff. Eqns 2002 1), Kouachi (2001 Electron. J. Diff. Eqns 2001 1) and independently by Malham and Xin (1998 Commun. Math. Phys. 193 287)

  18. Introducing a standard method for experimental determination of the solvent response in laser pump, x-ray probe time-resolved wide-angle x-ray scattering experiments on systems in solution

    DEFF Research Database (Denmark)

    Kjær, Kasper Skov; Brandt van Driel, Tim; Kehres, Jan

    2013-01-01

    In time-resolved laser pump, X-ray probe wide-angle X-ray scattering experiments on systems in solution the structural response of the system is accompanied by a solvent response. The solvent response is caused by reorganization of the bulk solvent following the laser pump event, and in order...... response-the solvent term-experimentally when applying laser pump, X-ray probe time-resolved wide-angle X-ray scattering. The solvent term describes difference scattering arising from the structural response of the solvent to changes in the hydrodynamic parameters: pressure, temperature and density. We...... is demonstrated to exhibit first order behaviour with respect to the amount of energy deposited in the solution. We introduce a standardized method for recording solvent responses in laser pump, X-ray probe time-resolved X-ray wide-angle scattering experiments by using dye mediated solvent heating. Furthermore...

  19. Linearization-based method for solving a multicomponent diffusion phase-field model with arbitrary solution thermodynamics

    Science.gov (United States)

    Welland, M. J.; Tenuta, E.; Prudil, A. A.

    2017-06-01

    This article describes a phase-field model for an isothermal multicomponent, multiphase system which avoids implicit interfacial energy contributions by starting from a grand potential formulation. A method is developed for incorporating arbitrary forms of the equilibrium thermodynamic potentials in all phases to determine an explicit relationship between chemical potentials and species concentrations. The model incorporates variable densities between adjacent phases, defect migration, and dependence of internal pressure on object dimensions ranging from the macro- to nanoscale. A demonstrative simulation of an overpressurized nanoscopic intragranular bubble in nuclear fuel migrating to a grain boundary under kinetically limited vacancy diffusion is shown.

  20. Diffusion coefficients of nickel chloride in aqueous solutions of lactose at T = 298.15 K and T = 310.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Ribeiro, Ana C.F., E-mail: anacfrib@ci.uc.p [Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal); Gomes, Joselaine C.S., E-mail: leidygomes18@hotmail.co [Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal); Barros, Marisa C.F., E-mail: marisa.barros@gmail.co [Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal); Lobo, Victor M.M., E-mail: vlobo@ci.uc.p [Department of Chemistry, University of Coimbra, 3004-535 Coimbra (Portugal); Esteso, Miguel A., E-mail: miguel.esteso@uah.e [Departamento de Quimica Fisica, Facultad de Farmacia, Universidad de Alcala, 28871, Alcala de Henares (Madrid) (Spain)

    2011-03-15

    Binary mutual diffusion coefficients (interdiffusion coefficients) of nickel chloride in water at T = 298.15 K and T = 310.15 K, and at concentrations between (0.000 and 0.100) mol {center_dot} dm{sup -3}, using a Taylor dispersion method have been measured. These data are discussed on the basis of the Onsager-Fuoss and Pikal models. The equivalent conductance at infinitesimal concentration of the nickel ion in these solutions at T = 310.15 K has been estimated using these results. Through the same technique, ternary mutual diffusion coefficients (D{sub 11}, D{sub 22}, D{sub 12}, and D{sub 21}) for aqueous solutions containing NiCl{sub 2} and lactose, at T = 298.15 K and T = 310.15 K, and at different carrier concentrations were also measured. These data permit us to have a better understanding of the structure of these systems and the thermodynamic behaviour of NiCl{sub 2} in different media.

  1. Solution of multi-group diffusion equation in x-y-z geometry by finite Fourier transformation

    International Nuclear Information System (INIS)

    Kobayashi, Keisuke

    1975-01-01

    The multi-group diffusion equation in three-dimensional x-y-z geometry is solved by finite Fourier transformation. Applying the Fourier transformation to a finite region with constant nuclear cross sections, the fluxes and currents at the material boundaries are obtained in terms of the Fourier series. Truncating the series after the first term, and assuming that the source term is piecewise linear within each mesh box, a set of coupled equations is obtained in the form of three-point equations for each coordinate. These equations can be easily solved by the alternative direction implicit method. Thus a practical procedure is established that could be applied to replace the currently used difference equation. This equation is used to solve the multi-group diffusion equation by means of the source iteration method; and sample calculations for thermal and fast reactors show that the present method yields accurate results with a smaller number of mesh points than the usual finite difference equations. (auth.)

  2. Comparison of soil solution speciation and diffusive gradients in thin-films measurement as an indicator of copper bioavailability to plants.

    Science.gov (United States)

    Zhao, Fang-Jie; Rooney, Corinne P; Zhang, Hao; McGrath, Steve P

    2006-03-01

    The toxicity effect concentrations (10% effective concentration [EC10] and 50% effective concentration [EC50]) of total added Cu derived from barley root elongation and tomato growth assays varied widely among 18 European soils. We investigated whether this variation could be explained by the solubility or speciation of Cu in soil solutions or the diffusive gradients in thin-films (DGT) measurement. Solubility and Cu speciation varied greatly among the soils tested. However, the EC10 and EC50 of soil solution Cu or free Cu2+ activity varied even more widely than those based on the total added Cu, indicating that solubility or soil solution speciation alone could not explain intersoil variation in Cu toxicity. Estimated EC10 and EC50 of free Cu2+ activity correlated closely and negatively with soil pH, indicating a protective effect of H+, which is consistent with the biotic ligand model concept. The DGT measurement was found to narrow the intersoil variation in EC50 considerably and to be a better predictor of plant Cu concentrations than either soil solution Cu or free Cu2+ activity. We conclude that plant bioavailability of Cu in soil depends on Cu speciation, interactions with protective ions (particularly H+), and the resupply from the solid phase, and we conclude that the DGT measurement provides a useful indicator of Cu bioavailability in soil.

  3. Effect of alkyl chain length on the rotational diffusion of nonpolar and ionic solutes in 1-alkyl-3-methylimidazolium-bis(trifluoromethylsulfonyl)imides.

    Science.gov (United States)

    Gangamallaiah, V; Dutt, G B

    2013-10-10

    Rotational diffusion of a nonpolar solute 9-phenylanthracene (9-PA) and a cationic solute rhodamine 110 (R110) has been examined in a series of 1-alkyl-3-methylimidazolium (alkyl = octyl, decyl, dodecyl, tetradecyl, hexadecyl, and octadecyl) bis(trifluoromethylsulfonyl)imides to understand the influence of alkyl chain length on solute rotation. In this study, reorientation times (τr) have been measured as a function of viscosity (η) by varying the temperature (T) of the solvents. These results have been analyzed using the Stokes-Einstein-Debye (SED) hydrodynamic theory along with the ones obtained for the same solutes in 1-alkyl-3-methylimidazolium (alkyl = methyl, ethyl, propyl, butyl, and hexyl) bis(trifluoromethylsulfonyl)imides (Gangamallaiah and Dutt, J. Phys. Chem. B 2012, 116, 12819-12825). It has been noticed that the data for 9-PA and R110 follows the relation τr = A(η/T)(n) with A being the ratio of hydrodynamic volume of the solute to the Boltzmann constant and n = 1 as envisaged by the SED theory. However, upon increasing the alkyl chain length from methyl to octadecyl significant deviations from the SED theory have been observed especially from the octyl derivative onward. From methyl to octadecyl derivatives, the value of A decreases by a factor of 3 for both the solutes and n by a factor of 1.4 and 1.6 for 9-PA and R110, respectively. These observations have been rationalized by taking into consideration the organized structure of the ionic liquids, whose influence appears to be pronounced when the number of carbon atoms in the alkyl chain attached to the imidazolium cation exceeds eight.

  4. Steady-state solution of the semi-empirical diffusion equation for area sources. [air pollution studies

    Science.gov (United States)

    Lebedeff, S. A.; Hameed, S.

    1975-01-01

    The problem investigated can be solved exactly in a simple manner if the equations are written in terms of a similarity variable. The exact solution is used to explore two questions of interest in the modelling of urban air pollution, taking into account the distribution of surface concentration downwind of an area source and the distribution of concentration with height.

  5. Diffusion coefficients of oxygen and hemoglobin as obtained simultaneously from photometric determination of the oxygenation of layers of hemoglobin solutions

    NARCIS (Netherlands)

    Spaan, J. A.; Kreuzer, F.; van Wely, F. K.

    1980-01-01

    The oxygenation of layers of deoxygenated hemoglobin solutions after a sudden exposure to a gas containing oxygen at a partial pressure P1 has been studied by a photometric method. Layer thicknesses varied between 50 and 250 micron, hemoglobin concentrations between 0.1 and 0.34kg/l, and oxygen

  6. Fourth-order numerical solutions of diffusion equation by using SOR method with Crank-Nicolson approach

    Science.gov (United States)

    Muhiddin, F. A.; Sulaiman, J.

    2017-09-01

    The aim of this paper is to investigate the effectiveness of the Successive Over-Relaxation (SOR) iterative method by using the fourth-order Crank-Nicolson (CN) discretization scheme to derive a five-point Crank-Nicolson approximation equation in order to solve diffusion equation. From this approximation equation, clearly, it can be shown that corresponding system of five-point approximation equations can be generated and then solved iteratively. In order to access the performance results of the proposed iterative method with the fourth-order CN scheme, another point iterative method which is Gauss-Seidel (GS), also presented as a reference method. Finally the numerical results obtained from the use of the fourth-order CN discretization scheme, it can be pointed out that the SOR iterative method is superior in terms of number of iterations, execution time, and maximum absolute error.

  7. Numerical Solution of the 1D Advection-Diffusion Equation Using Standard and Nonstandard Finite Difference Schemes

    Directory of Open Access Journals (Sweden)

    A. R. Appadu

    2013-01-01

    for which the Reynolds number is 2 or 4. Some errors are computed, namely, the error rate with respect to the L1 norm, dispersion, and dissipation errors. We have both dissipative and dispersive errors, and this indicates that the methods generate artificial dispersion, though the partial differential considered is not dispersive. It is seen that the Lax-Wendroff and NSFD are quite good methods to approximate the 1D advection-diffusion equation at some values of k and h. Two optimisation techniques are then implemented to find the optimal values of k when h=0.02 for the Lax-Wendroff and NSFD schemes, and this is validated by numerical experiments.

  8. Solution of 2D and 3D hexagonal geometry benchmark problems by using the finite element diffusion code DIFGEN

    International Nuclear Information System (INIS)

    Gado, J.

    1986-02-01

    The four group, 2D and 3D hexagonal geometry HTGR benchmark problems and a 2D hexagonal geometry PWR (WWER) benchmark problem have been solved by using the finite element diffusion code DIFGEN. The hexagons (or hexagonal prisms) were subdivided into first order or second order triangles or quadrilaterals (or triangular or quadrilateral prisms). In the 2D HTGR case of the number of the inserted absorber rods was also varied (7, 6, 0 or 37 rods). The calculational results are in a good agreement with the results of other calculations. The larger systematic series of DIFGEN calculations have given a quantitative picture on the convergence properties of various finite element modellings of hexagonal grids in DIFGEN. (orig.)

  9. Solution of the neutron diffusion equation to study the 3D distribution of power, applied to nuclear reactors

    International Nuclear Information System (INIS)

    Costa, Danilo Leite

    2013-01-01

    This work aims to present a study about the power distribution behavior in a PWR type reactor, considering both intensity and migration of power peaks due to insertion of control rods into the core. Employing the multidimensional steady-state neutron diffusion equation in order to simulate the neutron flux, and using the Finite Difference Method. Furthermore, based on the axial power distribution on the largest heat flux rod, is carried out thermal analysis of this rod and associated coolant channel. For this purpose is employed the FueLRod 3 D code, it uses the Finite Element Method to model the fuel rod and the associated coolant channel, allowing the thermohydraulics simulation of a single rod discretized in three dimensions, considering the heat flux from the pellet, crossing the gap and the cladding until it reaches the coolant. (author)

  10. A quinoline-based Cu2 + ion complex fluorescence probe for selective detection of inorganic phosphate anion in aqueous solution and its application to living cells

    Science.gov (United States)

    Dai, Yanpeng; Wang, Peng; Fu, Jiaxin; Yao, Kun; Xu, Kuoxi; Pang, Xiaobin

    2017-08-01

    A quinaldine functionalized probe QP has been designed and synthesized. It exhibited selective turn-off fluorescence response toward Cu2 + ion over most of the biologically important ions at physiological pH. The binding ratio of the probe QP and Cu2 + ion was determined to be 1:1 through fluorescence titration, Job's plot and ESI-MS. The binding constant (K) of Cu2 + to probe QP was found to be 2.12 × 104 M- 1. Further, the Cu2 + ensemble of probe QP was found to respond H2PO4- and HPO42 - among other important biological anions via fluorescence turn-on response at physiological pH. Fluorescence microscopy imaging using living Hela cells showed that probe QP could be used as an effective fluorescent probe for detecting Cu2 + cation and H2PO4- and HPO42 - anions in living cells.

  11. Carbon isotope exchange between gaseous CO2 and thin solution films: Artificial cave experiments and a complete diffusion-reaction model

    Science.gov (United States)

    Hansen, Maximilian; Scholz, Denis; Froeschmann, Marie-Louise; Schöne, Bernd R.; Spötl, Christoph

    2017-08-01

    Speleothem stable carbon isotope (δ13C) records provide important paleoclimate and paleo-environmental information. However, the interpretation of these records in terms of past climate or environmental change remains challenging because of various processes affecting the δ13C signals. A process that has only been sparsely discussed so far is carbon isotope exchange between the gaseous CO2 of the cave atmosphere and the dissolved inorganic carbon (DIC) contained in the thin solution film on the speleothem, which may be particularly important for strongly ventilated caves. Here we present a novel, complete reaction diffusion model describing carbon isotope exchange between gaseous CO2 and the DIC in thin solution films. The model considers all parameters affecting carbon isotope exchange, such as diffusion into, out of and within the film, the chemical reactions occurring within the film as well as the dependence of diffusion and the reaction rates on isotopic mass and temperature. To verify the model, we conducted laboratory experiments under completely controlled, cave-analogue conditions at three different temperatures (10, 20, 30 °C). We exposed thin (≈0.1 mm) films of a NaHCO3 solution with four different concentrations (1, 2, 5 and 10 mmol/l, respectively) to a nitrogen atmosphere containing a specific amount of CO2 (1000 and 3000 ppmV). The experimentally observed temporal evolution of the pH and δ13C values of the DIC is in good agreement with the model predictions. The carbon isotope exchange times in our experiments range from ca. 200 to ca. 16,000 s and strongly depend on temperature, film thickness, atmospheric pCO2 and the concentration of DIC. For low pCO2 (between 500 and 1000 ppmV, as for strongly ventilated caves), our time constants are substantially lower than those derived in a previous study, suggesting a potentially stronger influence of carbon isotope exchange on speleothem δ13C values. However, this process should only have an

  12. Insight into the electroreduction of nitrate ions at a copper electrode, in neutral solution, after determination of their diffusion coefficient by electrochemical impedance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Aouina, Nizar; Cachet, Hubert [Laboratoire Interfaces et Systemes Electrochimiques - UPR15 du CNRS, Universite Pierre et Marie Curie - Paris 6, 4, place Jussieu, F-75005 Paris (France); Debiemme-chouvy, Catherine, E-mail: catherine.debiemme-chouvy@upmc.f [Laboratoire Interfaces et Systemes Electrochimiques - UPR15 du CNRS, Universite Pierre et Marie Curie - Paris 6, 4, place Jussieu, F-75005 Paris (France); Tran, Thi Tuyet Mai [Laboratoire Interfaces et Systemes Electrochimiques - UPR15 du CNRS, Universite Pierre et Marie Curie - Paris 6, 4, place Jussieu, F-75005 Paris (France)

    2010-10-01

    The electrochemical reduction of nitrate ions at a copper electrode in an unbuffered neutral aqueous solution is studied. Using a two compartment electrochemical cell, three stationary cathodic waves, noted P1, P2 and P3, were evidenced by cyclic voltammetry at -0.9, -1.2 and -1.3 V/SCE, respectively. By comparing the electrochemical response of nitrate and nitrite containing solutions, P1 was attributed to the reduction of nitrate to nitrite. In order to assign P2 and P3 features by determining the number of electrons involved at the corresponding potential, rotating disk electrode experiments at various rotation speeds, combined with linear sweep voltammetry, were performed. Current data analysis at a given potential was carried out using Koutecky-Levich treatment taking into account water reduction. Confident values of the diffusion coefficient D of nitrate ions were assessed by electrochemical impedance spectroscopy for nitrate concentrations of 10{sup -3}, 10{sup -2} and 10{sup -1} M. For a nitrate concentration of 10{sup -2} M, D was found to be 1.31 x 10{sup -5} cm{sup 2} s{sup -1} allowing the number of electrons to be determined as 6 for P2 and 8 for P3, in accordance with nitrate reduction into hydroxylamine and ammonia, respectively. The formation of hydroxylamine was confirmed by the observation of its reoxidation at a Pt microelectrode present at the Cu electrode/nitrate solution interface.

  13. The use of ion-selective membranes for the recovery of sulphuric acid out of contaminated solutions. Comparing electrodialysis, electro electrodialysis and diffusion dialysis

    International Nuclear Information System (INIS)

    Cattoir, S.

    1998-02-01

    The amount of waste arising from dismantled reactors is minimized by decontamination processes. These processes result in contaminated effluents, containing acid and metal salts. The quantity of final waste can be substantially reduced when the acid is extracted out of the decontamination effluents prior to neutralisation. This report discusses three membrane techniques for the displacement of acids out of mixed acid/salt solutions: electrodialysis (ED), electro electrodialysis (EED) and diffusion dialysis (DD). EED uses an electrical potential difference across an anion-selective membrane; DD uses a concentration difference across an anion-selective membrane; ED uses an electrical potential difference, across an anion- and a cation-selective membrane. EED can displace up to 90% of the sulphuric acid, the amount of metal ions in the displaced-acid solution is less than 1% of the ions in the original contaminated solution. Treatment costs are estimated to about 18 Belgian Francs per litre. In DD the purity of the displaced acid is comparable to EED. Treatment costs are about 21 Belgian Francs per litre. In ED 90% acid-displacement is easily reached, but 5% metal ions are also displaced. Treatment costs are about 6 Belgian Francs per litre. Therefore, in spite of the lower purity of the resulting acid, ED is economically speaking the best choice

  14. Insight into the electroreduction of nitrate ions at a copper electrode, in neutral solution, after determination of their diffusion coefficient by electrochemical impedance spectroscopy

    International Nuclear Information System (INIS)

    Aouina, Nizar; Cachet, Hubert; Debiemme-chouvy, Catherine; Tran, Thi Tuyet Mai

    2010-01-01

    The electrochemical reduction of nitrate ions at a copper electrode in an unbuffered neutral aqueous solution is studied. Using a two compartment electrochemical cell, three stationary cathodic waves, noted P1, P2 and P3, were evidenced by cyclic voltammetry at -0.9, -1.2 and -1.3 V/SCE, respectively. By comparing the electrochemical response of nitrate and nitrite containing solutions, P1 was attributed to the reduction of nitrate to nitrite. In order to assign P2 and P3 features by determining the number of electrons involved at the corresponding potential, rotating disk electrode experiments at various rotation speeds, combined with linear sweep voltammetry, were performed. Current data analysis at a given potential was carried out using Koutecky-Levich treatment taking into account water reduction. Confident values of the diffusion coefficient D of nitrate ions were assessed by electrochemical impedance spectroscopy for nitrate concentrations of 10 -3 , 10 -2 and 10 -1 M. For a nitrate concentration of 10 -2 M, D was found to be 1.31 x 10 -5 cm 2 s -1 allowing the number of electrons to be determined as 6 for P2 and 8 for P3, in accordance with nitrate reduction into hydroxylamine and ammonia, respectively. The formation of hydroxylamine was confirmed by the observation of its reoxidation at a Pt microelectrode present at the Cu electrode/nitrate solution interface.

  15. Large-Time Behavior of Solutions to Vlasov-Poisson-Fokker-Planck Equations: From Evanescent Collisions to Diffusive Limit

    Science.gov (United States)

    Herda, Maxime; Rodrigues, L. Miguel

    2018-03-01

    The present contribution investigates the dynamics generated by the two-dimensional Vlasov-Poisson-Fokker-Planck equation for charged particles in a steady inhomogeneous background of opposite charges. We provide global in time estimates that are uniform with respect to initial data taken in a bounded set of a weighted L^2 space, and where dependencies on the mean-free path τ and the Debye length δ are made explicit. In our analysis the mean free path covers the full range of possible values: from the regime of evanescent collisions τ → ∞ to the strongly collisional regime τ → 0. As a counterpart, the largeness of the Debye length, that enforces a weakly nonlinear regime, is used to close our nonlinear estimates. Accordingly we pay a special attention to relax as much as possible the τ -dependent constraint on δ ensuring exponential decay with explicit τ -dependent rates towards the stationary solution. In the strongly collisional limit τ → 0, we also examine all possible asymptotic regimes selected by a choice of observation time scale. Here also, our emphasis is on strong convergence, uniformity with respect to time and to initial data in bounded sets of a L^2 space. Our proofs rely on a detailed study of the nonlinear elliptic equation defining stationary solutions and a careful tracking and optimization of parameter dependencies of hypocoercive/hypoelliptic estimates.

  16. Numerical Calculations of the Effect of Moisture Content and Moisture Flow on Ionic Multi-Species Diffusion in the Pore Solution of Porous Materials

    DEFF Research Database (Denmark)

    Johannesson, Björn; Hosokawa, Yoshifumi; Yamada, Kazuo

    2009-01-01

    A method to analyse and calculate concentration profiles of different types of ions in the pore solution of porous materials such as concrete subjected to external wetting and drying is described. The equations in use have a solid theoretical meaning and are derived from a porous media technique......, which is a special branch of the more general mixture theory. The effect of chemical action is ignored making the presented model suitable to be implemented into codes dealing solely with chemical equilibrium. The coupled set of equations for diffusion of ionic species, the internal electrical potential...... of the model should be judged from the assumptions made when developing the balance laws and the constitutive equations and the assumptions made in obtaining a working numerical calculation scheme....

  17. New process of the preparation of catalyzed gas diffusion electrode for PEM fuel cells based on ultrasonic direct solution spray reaction method

    Energy Technology Data Exchange (ETDEWEB)

    Oishi, K.; Savadogo, O. [Ecole Polytechnique de Montreal, Montreal, PQ (Canada). Laboratoire de nouveaux materiaux pour l' energie et l' electrochimie

    2008-07-01

    This paper reported on a newly developed process for in-situ catalyst deposition on gas diffusion electrodes (GDE) for polymer electrolyte fuel cells. This process has the potential to reduce the number of steps for catalyzed GDE fabrication. In addition, the process offers economic advantages for the fuel cell commercialization. In this study, a home-made catalyst maker with ultrasonic spray method was used to prepare a solution of the carbon supported platinum catalyst on the GDL. The sprayed catalyst powder consisted of carbon support. The catalyst particles did not prevent gas flow channels on the GDL. The catalyst layer was shown to be located only on the top surface of the GDL and was not packed into its flow channel. Results of Cross-section SEM image, crystallization, micro structure and electro-catalytic activity for the oxygen reduction reaction were also discussed. 1 ref., 1 fig.

  18. FEMSYN - a code system to solve multigroup diffusion theory equations using a variety of solution techniques. Part 1 : Description of code system - input and sample problems

    International Nuclear Information System (INIS)

    Jagannathan, V.

    1985-01-01

    A modular computer code system called FEMSYN has been developed to solve the multigroup diffusion theory equations. The various methods that are incorporated in FEMSYN are (i) finite difference method (FDM) (ii) finite element method (FEM) and (iii) single channel flux synthesis method (SCFS). These methods are described in detail in parts II, III and IV of the present report. In this report, a comparison of the accuracy and the speed of different methods of solution for some benchmark problems are reported. The input preparation and listing of sample input and output are included in the Appendices. The code FEMSYN has been used to solve a wide variety of reactor core problems. It can be used for both LWR and PHWR applications. (author)

  19. Recursive solutions for multi-group neutron kinetics diffusion equations in homogeneous three-dimensional rectangular domains with time dependent perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, Claudio Z. [Universidade Federal de Pelotas, Capao do Leao (Brazil). Programa de Pos Graduacao em Modelagem Matematica; Bodmann, Bardo E.J.; Vilhena, Marco T. [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-graduacao em Engenharia Mecanica; Barros, Ricardo C. [Universidade do Estado do Rio de Janeiro, Nova Friburgo, RJ (Brazil). Inst. Politecnico

    2014-12-15

    In the present work we solve in analytical representation the three dimensional neutron kinetic diffusion problem in rectangular Cartesian geometry for homogeneous and bounded domains for any number of energy groups and precursor concentrations. The solution in analytical representation is constructed using a hierarchical procedure, i.e. the original problem is reduced to a problem previously solved by the authors making use of a combination of the spectral method and a recursive decomposition approach. Time dependent absorption cross sections of the thermal energy group are considered with step, ramp and Chebyshev polynomial variations. For these three cases, we present numerical results and discuss convergence properties and compare our results to those available in the literature.

  20. Formation of crystalline InGaO₃(ZnO)n nanowires via the solid-phase diffusion process using a solution-based precursor.

    Science.gov (United States)

    Guo, Yujie; Van Bilzen, Bart; Locquet, Jean Pierre; Seo, Jin Won

    2015-12-11

    One-dimensional single crystalline InGaO3(ZnO)n (IGZO) nanostructures have great potential for various electrical and optical applications. This paper demonstrates for the first time, to our knowledge, a non-vacuum route for the synthesis of IGZO nanowires by annealing ZnO nanowires covered with solution-based IGZO precursor. This method results in nanowires with highly periodic IGZO superlattice structure. The phase transition of IGZO precursor during thermal treatment was systematically studied. Transmission electron microscopy studies reveal that the formation of the IGZO structure is driven by anisotropic inter-diffusion of In, Ga, and Zn atoms, and also by the crystallization of the IGZO precursor. Optical measurements using cathodoluminescence and UV-vis spectroscopy confirm that the nanowires consist of the IGZO compound with wide optical band gap and suppressed luminescence.

  1. Formation of crystalline InGaO_3(ZnO)_n nanowires via the solid-phase diffusion process using a solution-based precursor

    International Nuclear Information System (INIS)

    Guo, Yujie; Seo, Jin Won; Bilzen, Bart Van; Locquet, Jean Pierre

    2015-01-01

    One-dimensional single crystalline InGaO_3(ZnO)_n (IGZO) nanostructures have great potential for various electrical and optical applications. This paper demonstrates for the first time, to our knowledge, a non-vacuum route for the synthesis of IGZO nanowires by annealing ZnO nanowires covered with solution-based IGZO precursor. This method results in nanowires with highly periodic IGZO superlattice structure. The phase transition of IGZO precursor during thermal treatment was systematically studied. Transmission electron microscopy studies reveal that the formation of the IGZO structure is driven by anisotropic inter-diffusion of In, Ga, and Zn atoms, and also by the crystallization of the IGZO precursor. Optical measurements using cathodoluminescence and UV-vis spectroscopy confirm that the nanowires consist of the IGZO compound with wide optical band gap and suppressed luminescence. (paper)

  2. Investigation on electrical properties of diffusive p-n junctions in InP and solid solutions of InAssub(x)Psub(1-x)

    International Nuclear Information System (INIS)

    Agaev, Ya.; Atabaev, Kh.; Gazakov, O.

    1977-01-01

    Diodes from InP and from solid solutions of InAssub(0.6)Psub(0.4), InAssub(0.5)Psub(0.5) were obtained by the diffusion of Zn. The voltage-current characteristic was measured at a direct current in the temperature range from 80 to 300 K. The rectification factor is 10 4 and 2.5 -3.0 x10 2 , respectively, for InP and InAssub(x)Psub(1-x) p-n junctions. The lifetime, the series resistance and resistance of the p-n junction at a zero bias were calculated from an analysis of the voltage-current characteristics

  3. Coupling diffusion and high-pH precipitation/dissolution in the near field of a HLW repository in clay by means of reactive solute transport models

    Science.gov (United States)

    Samper, J.; Font, I.; Yang, C.; Montenegro, L.

    2004-12-01

    The reference concept for a HLW repository in clay in Spain includes a 75 cm thick bentonite buffer which surrounds canisters. A concrete sustainment 20 cm thick is foreseen between the bentonite buffer and the clay formation. The long term geochemical evolution of the near field is affected by a high-pH hyperalkaline plume induced by concrete. Numerical models of multicomponent reactive transport have been developped in order to quantify the evolution of the system over 1 Ma. Water flow is negligible once the bentonite buffer is saturated after about 20 years. Therefore, solute transport occurs mainly by diffusion. Models account for aqueous complexation, acid-base and redox reactions, cation exchange, and mineral dissolution precipitation in the bentonite, the concrete and the clay formation. Numerical results obtained witth CORE2D indicate that the high-pH plume causes significant changes in porewater chemistry both in the bentonite buffer and the clay formation. Porosity changes caused by mineral dissolution/precipitation are extremely important. Therefore, coupled modes of diffusion and reactive transport accounting for changes in porosity caused by mineral precipitation are required in order to obtain realistic predictions.

  4. Asymptotic behavior of solutions of diffusion-like partial differential equations invariant to a family of affine groups

    International Nuclear Information System (INIS)

    Dresner, L.

    1990-07-01

    This report deals with the asymptotic behavior of certain solutions of partial differential equations in one dependent and two independent variables (call them c, z, and t, respectively). The partial differential equations are invariant to one-parameter families of one-parameter affine groups of the form: c' = λ α c, t' = λ β t, z' = λz, where λ is the group parameter that labels the individual transformations and α and β are parameters that label groups of the family. The parameters α and β are connected by a linear relation, Mα + Nβ = L, where M, N, and L are numbers determined by the structure of the partial differential equation. It is shown that when L/M and N/M are L/M t -N/M for large z or small t. Some practical applications of this result are discussed. 8 refs

  5. Model for diffusion and porewater chemistry in compacted bentonite. Theoretical basis and the solution methodology for the transport model

    International Nuclear Information System (INIS)

    Lehikoinen, J.

    1997-01-01

    This report describes the progress of the computer model for ionic transport in bentonite. The research is part of the project Microstructural and chemical parameters of bentonite as determinants of waste isolation efficiency within the Nuclear fission safety program organized by The Commission of the European Communities. The study was started by collecting a comprehensive body of available data on space-charge transport modelling and creating a conceptualization of the problem at hand. The numerical discretization of the governing equations by finite differences was also initiated. This report introduces the theoretical basis for the model, somewhat more elaborated than presented in Progress Report 1/1996, and rectifies a few mistakes appearing in that report. It also gives a brief introduction to the solution methodology of the disc retized governing equations. (orig.) (12 refs.)

  6. The relevance of light diffusion profiles for interstitial PDT using light-diffusing optical fibers

    Science.gov (United States)

    Stringasci, Mirian D.; Fortunato, Thereza C.; Moriyama, Lilian T.; Vollet Filho, José Dirceu; Bagnato, Vanderlei S.; Kurachi, Cristina

    2017-02-01

    Photodynamic therapy (PDT) is a technique used for several tumor types treatment. Light penetration on biological tissue is one limiting factor for PDT applied to large tumors. An alternative is using interstitial PDT, in which optical fibers are inserted into tumors. Cylindrical diffusers have been used in interstitial PDT. Light emission of different diffusers depends on the manufacturing process, size and optical properties of fibers, which make difficult to establish an adequate light dosimetry, since usually light profile is not designed for direct tissue-fiber contact. This study discusses the relevance of light distribution by a cylindrical diffuser into a turbid lipid emulsion solution, and how parts of a single diffuser contribute to illumination. A 2 cm-long cylindrical diffuser optical fiber was connected to a diode laser (630 nm), and the light spatial distribution was measured by scanning the solution with a collection probe. From the light field profile generated by a 1 mm-long intermediary element of a 20 mm-long cylindrical diffuser, recovery of light distribution for the entire diffuser was obtained. PDT was performed in rat healthy liver for a real treatment outcome analysis. By using computational tools, a typical necrosis profile generated by the irradiation with such a diffuser fiber was reconstructed. The results showed that it was possible predicting theoretically the shape of a necrosis profile in a healthy, homogeneous tissue with reasonable accuracy. The ability to predict the necrosis profile obtained from an interstitial illumination by optical diffusers has the potential improve light dosimetry for interstitial PDT.

  7. Closed-form solution for the Wigner phase-space distribution function for diffuse reflection and small-angle scattering in a random medium.

    Science.gov (United States)

    Yura, H T; Thrane, L; Andersen, P E

    2000-12-01

    Within the paraxial approximation, a closed-form solution for the Wigner phase-space distribution function is derived for diffuse reflection and small-angle scattering in a random medium. This solution is based on the extended Huygens-Fresnel principle for the optical field, which is widely used in studies of wave propagation through random media. The results are general in that they apply to both an arbitrary small-angle volume scattering function, and arbitrary (real) ABCD optical systems. Furthermore, they are valid in both the single- and multiple-scattering regimes. Some general features of the Wigner phase-space distribution function are discussed, and analytic results are obtained for various types of scattering functions in the asymptotic limit s > 1, where s is the optical depth. In particular, explicit results are presented for optical coherence tomography (OCT) systems. On this basis, a novel way of creating OCT images based on measurements of the momentum width of the Wigner phase-space distribution is suggested, and the advantage over conventional OCT images is discussed. Because all previous published studies regarding the Wigner function are carried out in the transmission geometry, it is important to note that the extended Huygens-Fresnel principle and the ABCD matrix formalism may be used successfully to describe this geometry (within the paraxial approximation). Therefore for completeness we present in an appendix the general closed-form solution for the Wigner phase-space distribution function in ABCD paraxial optical systems for direct propagation through random media, and in a second appendix absorption effects are included.

  8. Anisotropy in "isotropic diffusion" measurements due to nongaussian diffusion

    DEFF Research Database (Denmark)

    Jespersen, Sune Nørhøj; Olesen, Jonas Lynge; Ianuş, Andrada

    2017-01-01

    Designing novel diffusion-weighted NMR and MRI pulse sequences aiming to probe tissue microstructure with techniques extending beyond the conventional Stejskal-Tanner family is currently of broad interest. One such technique, multidimensional diffusion MRI, has been recently proposed to afford...... model-free decomposition of diffusion signal kurtosis into terms originating from either ensemble variance of isotropic diffusivity or microscopic diffusion anisotropy. This ability rests on the assumption that diffusion can be described as a sum of multiple Gaussian compartments, but this is often...

  9. New aspects in the implementation of the quasi-static method for the solution of neutron diffusion problems in the framework of a nodal method

    International Nuclear Information System (INIS)

    Caron, D.; Dulla, S.; Ravetto, P.

    2016-01-01

    Highlights: • The implementation of the quasi-static method in 3D nodal diffusion theory model in hexagonal-z geometry is described. • Different formulations of the quasi-static technique are discussed. • The results presented illustrate the features of the various formulations, highlighting advantages and drawbacks. • A novel adaptive procedure for the selection of the time interval between shape recalculations is presented. - Abstract: The ability to accurately model the dynamic behaviour of the neutron distribution in a nuclear system is a fundamental aspect of reactor design and safety assessment. Due to the heavy computational burden associated to the direct time inversion of the full model, the quasi-static method has become a standard approach to the numerical solution of the nuclear reactor dynamic equations on the full phase space. The present paper is opened by an introductory critical review of the basics of the quasi-static scheme for the general neutron kinetic problem. Afterwards, the implementation of the quasi-static method in the context of a three-dimensional nodal diffusion theory model in hexagonal-z geometry is described, including some peculiar aspects of the adjoint nodal equations and the explicit formulation of the quasi-static nodal equations. The presentation includes the discussion of different formulations of the quasi-static technique. The results presented illustrate the features of the various formulations, highlighting the corresponding advantages and drawbacks. An adaptive procedure for the selection of the time interval between shape recalculations is also presented, showing its usefulness in practical applications.

  10. Hybrid nodal methods in the solution of the diffusion equations in X Y geometry; Metodos nodales hibridos en la solucion de las ecuaciones de difusion en geometria XY

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez M, N. [CFE, Carretera Cardel-Nautla Km. 43.5, 91680 Veracruz (Mexico); Alonso V, G.; Valle G, E. del [IPN-ESFM, 07738 Mexico D.F. (Mexico)]. e-mail: nhmiranda@mexico.com

    2003-07-01

    In 1979, Hennart and collaborators applied several schemes of classic finite element in the numerical solution of the diffusion equations in X Y geometry and stationary state. Almost two decades then, in 1996, himself and other collaborators carried out a similar work but using nodal schemes type finite element. Continuing in this last direction, in this work a group it is described a set of several Hybrid Nodal schemes denominated (NH) as well as their application to solve the diffusion equations in multigroup in stationary state and X Y geometry. The term hybrid nodal it means that such schemes interpolate not only Legendre moments of face and of cell but also the values of the scalar flow of neutrons in the four corners of each cell or element of the spatial discretization of the domain of interest. All the schemes here considered are polynomials like they were it their predecessors. Particularly, its have developed and applied eight different hybrid nodal schemes that its are very nearby related with those developed by Hennart and collaborators in the past. It is treated of schemes in those that nevertheless that decreases the number of interpolation parameters it is conserved the accurate in relation to the bi-quadratic and bi-cubic schemes. Of these eight, three were described and applied in a previous work. It is the bi-lineal classic scheme as well as the hybrid nodal schemes, bi-quadratic and bi-cubic for that here only are described the other 5 hybrid nodal schemes although they are provided numerical results for several test problems with all them. (Author)

  11. Diffusion coefficients of N2O in aqueous piperazine solutions using the taylor dispersion technique from (293 to 333) K and (0.3 to 1.4) mol·dm-3

    NARCIS (Netherlands)

    Hamborg, E. S.; Derks, P. W. J.; Kersten, S. R. A.; Niederer, J. P. M.; Versteeg, G. F.

    2008-01-01

    The diffusion coefficients of N2O in aqueous piperazine (PZ) solutions have been determined using the Taylor dispersion technique over a temperature range from (293 to 333) K and a concentration range from (0.3 to 1.4) mol·dm-3 PZ. The experimental results have been compared to literature values.

  12. Numerical solution of diffusion equation to study fast neutrons flux distribution for variant radii of nuclear fuel pin and moderator regions

    Energy Technology Data Exchange (ETDEWEB)

    Mousavi Shirazi, Seyed Alireza [Islamic Azad Univ. (I.A.U.), Dept. of Physics, Tehran (Iran, Islamic Republic of)

    2015-07-15

    In this symbolic investigation, a cylindrical cell in a LWR, which consists of one fuel pin and moderator (water), is considered. The width of this cylindrical cell is divided into 100 equal units. Since the neutron flux in a cylindrical fuel pin is resulting from the diffusion equation: -(1)/(r)(d)/(dr)Dr(d)/(dr)φ(r) + Σ{sub a}φ(r) = S(r), the amount of fast neutron fluxes are obtained on the basis of the numeric solution of this equation, and the applied boundary conditions are considered: φ'(0) = φ'(1) = 0. This differential equation is solved by the tridiagonal method for variant enrichments of uranium. Neutron fluxes are obtained in variant radii of fuel pin and moderator and are finally compared with each other. There are some interesting outcomes resulting from this investigation. It can be inferred that because of the fuel enrichment increment, the fast neutron flux increases significantly at the centre of core, while many of the fast neutrons produced are absorbed after entering the water region, moderation of lots of them causes the reduced neutron flux to get improved in this region.

  13. High-speed parallel solution of the neutron diffusion equation with the hierarchical domain decomposition boundary element method incorporating parallel communications

    International Nuclear Information System (INIS)

    Tsuji, Masashi; Chiba, Gou

    2000-01-01

    A hierarchical domain decomposition boundary element method (HDD-BEM) for solving the multiregion neutron diffusion equation (NDE) has been fully parallelized, both for numerical computations and for data communications, to accomplish a high parallel efficiency on distributed memory message passing parallel computers. Data exchanges between node processors that are repeated during iteration processes of HDD-BEM are implemented, without any intervention of the host processor that was used to supervise parallel processing in the conventional parallelized HDD-BEM (P-HDD-BEM). Thus, the parallel processing can be executed with only cooperative operations of node processors. The communication overhead was even the dominant time consuming part in the conventional P-HDD-BEM, and the parallelization efficiency decreased steeply with the increase of the number of processors. With the parallel data communication, the efficiency is affected only by the number of boundary elements assigned to decomposed subregions, and the communication overhead can be drastically reduced. This feature can be particularly advantageous in the analysis of three-dimensional problems where a large number of processors are required. The proposed P-HDD-BEM offers a promising solution to the deterioration problem of parallel efficiency and opens a new path to parallel computations of NDEs on distributed memory message passing parallel computers. (author)

  14. Application of the nodal method RTN-0 for the solution of the neutron diffusion equation dependent of time in hexagonal-Z geometry

    International Nuclear Information System (INIS)

    Esquivel E, J.; Alonso V, G.; Del Valle G, E.

    2015-09-01

    The solution of the neutron diffusion equation either for reactors in steady state or time dependent, is obtained through approximations generated by implementing of nodal methods such as RTN-0 (Raviart-Thomas-Nedelec of zero index), which is used in this study. Since the nodal methods are applied in quadrangular geometries, in this paper a technique in which the hexagonal geometry through the transfinite interpolation of Gordon-Hall becomes the appropriate geometry to make use of the nodal method RTN-0 is presented. As a result, a computer program was developed, whereby is possible to obtain among other results the neutron multiplication effective factor (k eff ), and the distribution of radial and/or axial power. To verify the operation of the code, was applied to three benchmark problems: in the first two reactors VVER and FBR, results k eff and power distribution are obtained, considering the steady state case of reactor; while the third problem a type VVER is analyzed, in its case dependent of time, which qualitative results are presented on the behavior of the reactor power. (Author)

  15. Probe Storage

    NARCIS (Netherlands)

    Gemelli, Marcellino; Abelmann, Leon; Engelen, Johannes Bernardus Charles; Khatib, M.G.; Koelmans, W.W.; Zaboronski, Olog; Campardo, Giovanni; Tiziani, Federico; Laculo, Massimo

    2011-01-01

    This chapter gives an overview of probe-based data storage research over the last three decades, encompassing all aspects of a probe recording system. Following the division found in all mechanically addressed storage systems, the different subsystems (media, read/write heads, positioning, data

  16. Cultural probes

    DEFF Research Database (Denmark)

    Madsen, Jacob Østergaard

    The aim of this study was thus to explore cultural probes (Gaver, Boucher et al. 2004), as a possible methodical approach, supporting knowledge production on situated and contextual aspects of occupation.......The aim of this study was thus to explore cultural probes (Gaver, Boucher et al. 2004), as a possible methodical approach, supporting knowledge production on situated and contextual aspects of occupation....

  17. Synergism of the method of characteristic, R-functions and diffusion solution for accurate representation of 3D neutron interactions in research reactors using the AGENT code system

    International Nuclear Information System (INIS)

    Hursin, Mathieu; Xiao Shanjie; Jevremovic, Tatjana

    2006-01-01

    This paper summarizes the theoretical and numerical aspects of the AGENT code methodology accurately applied for detailed three-dimensional (3D) multigroup steady-state modeling of neutron interactions in complex heterogeneous reactor domains. For the first time we show the fine-mesh neutron scalar flux distribution in Purdue research reactor (that was built over forty years ago). The AGENT methodology is based on the unique combination of the three theories: the method of characteristics (MOC) used to simulate the neutron transport in two-dimensional (2D) whole core heterogeneous calculation, the theory of R-functions used as a mathematical tool to describe the true geometry and fuse with the MOC equations, and one-dimensional (1D) higher-order diffusion correction of 2D transport model to account for full 3D heterogeneous whole core representation. The synergism between the radial 2D transport and the 1D axial transport (to take into account the axial neutron interactions and leakage), called the 2D/1D method (used in DeCART and CHAPLET codes), provides a 3D computational solution. The unique synergism between the AGENT geometrical algorithm capable of modeling any current or future reactor core geometry and 3D neutron transport methodology is described in details. The 3D AGENT accuracy and its efficiency are demonstrated showing the eigenvalues, point-wise flux and reaction rate distributions in representative reactor geometries. The AGENT code, comprising this synergism, represents a building block of the computational system, called the virtual reactor. Its main purpose is to perform 'virtual' experiments and demonstrations of various mainly university research reactor experiments

  18. Mobile probes

    DEFF Research Database (Denmark)

    Ørngreen, Rikke; Jørgensen, Anna Neustrup; Noesgaard, Signe Schack

    2016-01-01

    A project investigating the effectiveness of a collection of online resources for teachers' professional development used mobile probes as a data collection method. Teachers received questions and tasks on their mobile in a dialogic manner while in their everyday context as opposed...... to in an interview. This method provided valuable insight into the contextual use, i.e. how did the online resource transfer to the work practice. However, the research team also found that mobile probes may provide the scaffolding necessary for individual and peer learning at a very local (intra-school) community...... level. This paper is an initial investigation of how the mobile probes process proved to engage teachers in their efforts to improve teaching. It also highlights some of the barriers emerging when applying mobile probes as a scaffold for learning....

  19. Optical probe

    International Nuclear Information System (INIS)

    Denis, J.; Decaudin, J.M.

    1984-01-01

    The probe includes optical means of refractive index n, refracting an incident light beam from a medium with a refractive index n1>n and reflecting an incident light beam from a medium with a refractive index n2 [fr

  20. Instabilities in fluid layers and in reaction-diffusion systems: Steady states, time-periodic solutions, non-periodic attractors, and related convective and otherwise non-linear phenomena

    Energy Technology Data Exchange (ETDEWEB)

    Garcia Velarde, M

    1977-07-01

    Thermo convective instabilities in horizontal fluid layers are discussed with emphasis on the Rayleigh-Bernard model problem. Steady solutions and time-dependent phenomena (relaxation oscillations and transition to turbulence) are studied within the nonlinear Boussinesq-Oberbeck approximation. Homogeneous steady solutions, limit cycles, and inhomogeneous (ordered) spatial structures are also studied in simple reaction-diffusion systems. Lastly, the non-periodic attractor that appears at large Rayleigh numbers in the truncated Boussinesq-Oberbeck model of Lorenz, is constructed, and a discussion of turbulent behavior is given. (Author) 105 refs.