Continuous Flow Chemistry: Reaction of Diphenyldiazomethane with p-Nitrobenzoic Acid.

Science.gov (United States)

Aw, Alex; Fritz, Marshall; Napoline, Jonathan W; Pollet, Pamela; Liotta, Charles L

2017-11-15

Continuous flow technology has been identified as instrumental for its environmental and economic advantages leveraging superior mixing, heat transfer and cost savings through the "scaling out" strategy as opposed to the traditional "scaling up". Herein, we report the reaction of diphenyldiazomethane with p-nitrobenzoic acid in both batch and flow modes. To effectively transfer the reaction from batch to flow mode, it is essential to first conduct the reaction in batch. As a consequence, the reaction of diphenyldiazomethane was first studied in batch as a function of temperature, reaction time, and concentration to obtain kinetic information and process parameters. The glass flow reactor set-up is described and combines two types of reaction modules with "mixing" and "linear" microstructures. Finally, the reaction of diphenyldiazomethane with p-nitrobenzoic acid was successfully conducted in the flow reactor, with up to 95% conversion of the diphenyldiazomethane in 11 min. This proof of concept reaction aims to provide insight for scientists to consider flow technology's competitiveness, sustainability, and versatility in their research.

Rebalancing electrolytes in redox flow battery systems

Science.gov (United States)

Chang, On Kok; Pham, Ai Quoc

2014-12-23

Embodiments of redox flow battery rebalancing systems include a system for reacting an unbalanced flow battery electrolyte with a rebalance electrolyte in a first reaction cell. In some embodiments, the rebalance electrolyte may contain ferrous iron (Fe.sup.2+) which may be oxidized to ferric iron (Fe.sup.3+) in the first reaction cell. The reducing ability of the rebalance reactant may be restored in a second rebalance cell that is configured to reduce the ferric iron in the rebalance electrolyte back into ferrous iron through a reaction with metallic iron.

Flow-Injection Responses of Diffusion Processes and Chemical Reactions

DEFF Research Database (Denmark)

Andersen, Jens Enevold Thaulov

2000-01-01

tool of automated analytical chemistry. The need for an even lower consumption of chemicals and for computer analysis has motivated a study of the FIA peak itself, that is, a theoretical model was developed, that provides detailed knowledge of the FIA profile. It was shown that the flow in a FIA...... manifold may be characterised by a diffusion coefficient that depends on flow rate, denoted as the kinematic diffusion coefficient. The description was applied to systems involving species of chromium, both in the case of simple diffusion and in the case of chemical reactions. It is suggested that it may...... be used in the resolution of FIA profiles to obtain information about the content of interference’s, in the study of chemical reaction kinetics and to measure absolute concentrations within the FIA-detector cell....

A flow reactor setup for photochemistry of biphasic gas/liquid reactions

Directory of Open Access Journals (Sweden)

Josef Schachtner

2016-08-01

Full Text Available A home-built microreactor system for light-mediated biphasic gas/liquid reactions was assembled from simple commercial components. This paper describes in full detail the nature and function of the required building elements, the assembly of parts, and the tuning and interdependencies of the most important reactor and reaction parameters. Unlike many commercial thin-film and microchannel reactors, the described set-up operates residence times of up to 30 min which cover the typical rates of many organic reactions. The tubular microreactor was successfully applied to the photooxygenation of hydrocarbons (Schenck ene reaction. Major emphasis was laid on the realization of a constant and highly reproducible gas/liquid slug flow and the effective illumination by an appropriate light source. The optimized set of conditions enabled the shortening of reaction times by more than 99% with equal chemoselectivities. The modular home-made flow reactor can serve as a prototype model for the continuous operation of various other reactions at light/liquid/gas interfaces in student, research, and industrial laboratories.

Numerical simulations of heterogeneous chemical reactions coupled to fluid flow in varying thermal fields

International Nuclear Information System (INIS)

Carnahan, C.L.

1991-11-01

A numerical simulator of reactive chemical transport with coupling from precipitation-dissolution reactions to fluid flow, via changes of porosity and permeability, is applied to precipitation-dissolution of quartz and calcite in spatially and temporally variable fields of temperature. Significant effects on fluid flow are found in the quartz-silicic acid system in the presence of persistent, strong gradient of temperature. Transient heat flow in the quartz-silicic acid system and in a calcite-calcium ion-carbonato species system produces vanishingly small effects on fluid flow

Mass spectrometric studies of bimolecular reactions in a selected ion flow tube (SIFT)

International Nuclear Information System (INIS)

Shul, R.J.; Upschulte, B.L.; Passarella, R.; Keesee, R.G.; Castleman, A.W.

1985-01-01

The rate coefficients for a number of thermal energy charge transfer reactions have been obtained with a selected ion flow tube (SIFT). The reactions studied involve Ar + and Ar 2 + with a variety of neutral molecules including: O 2 , CS 2 , CO 2 , SO 2 , H 2 S, NH 3 , and SF 6 . Such reactions have been of long-standing interest in the field of gas-phase ion-molecule chemistry from both a practical and fundamental point of view. Consideration of charge transfer reactions as possible sources of chemical lasers and their role in ionospheric and interstellar chemistry account for much of the interest. Fundamentally, the mechanism involved in these reactions has yet to be definitively established. The consumption deposition of energy into internal modes and translational degrees of freedom in such reactions has also been a topic of considerable debate. The apparatus consists of five main components: an ion source, SIFT quadrupole, ion injector, flow tube, and a mass spectrometer detection system. Ions formed in a high pressure source leak into a SIFT quadrupole where they are mass selected. The primary ion of interest is then injected into the flow tube where reactions are studied. Once in the flow tube the ions are carried downstream by an inert buffer gas, either argon, nitrogen, or helium in the present study. Neutral reactant gas is added through a reactant gas inlet (RGI) at an appropriate location downstream in the flow tube, and allowed to react with the injected ions. Ions on the flow tube axis are sampled through a 1 mm orifice where they are mass analyzed by a second quadrupole mass spectrometer and detected with a channeltron electron multiplier

Chaotic advection, diffusion, and reactions in open flows

International Nuclear Information System (INIS)

Tel, Tamas; Karolyi, Gyoergy; Pentek, Aron; Scheuring, Istvan; Toroczkai, Zoltan; Grebogi, Celso; Kadtke, James

2000-01-01

We review and generalize recent results on advection of particles in open time-periodic hydrodynamical flows. First, the problem of passive advection is considered, and its fractal and chaotic nature is pointed out. Next, we study the effect of weak molecular diffusion or randomness of the flow. Finally, we investigate the influence of passive advection on chemical or biological activity superimposed on open flows. The nondiffusive approach is shown to carry some features of a weak diffusion, due to the finiteness of the reaction range or reaction velocity. (c) 2000 American Institute of Physics

Directed transverse flow and its disappearance for asymmetric reactions

International Nuclear Information System (INIS)

Lovejot; Gautam, S.

2014-01-01

We study the directed transverse flow for mass asymmetry reactions. This is done by keeping the target fixed and varying the projectile mass from 4 He to 131 Xe. We find that directed transverse flow is sensitive to the mass of the projectile. We also study the disappearance of flow at a particular impact parameter called Geometry of Vanishing Flow (GVF) for such mass asymmetry reactions. Our results indicate that GVF is sensitive to the beam energy as well as to the mass of the projectile.

Infrared Chemiluminescence Studies of Ion-Molecule Reactions in a Flowing Afterglow.

Science.gov (United States)

1982-01-01

reaction rate constants and branching ratios have been addressed in drift tubes and flow drift systems, and the translational energy distribution of atomic...composed of about 40 thin cylindrical sections of flow tube , separated by mylar spacers and connected by precision resistors. In the region of LIF... tube radius (Albritton, 1967). For proper operation of a drift tube , ionic species of only one polarity can be present. Efficient separation of

Palladium on Carbon-Catalyzed Suzuki-Miyaura Coupling Reaction Using an Efficient and Continuous Flow System

Directory of Open Access Journals (Sweden)

Tomohiro Hattori

2015-01-01

Full Text Available The continuous flow Suzuki-Miyaura reaction between various haloarenes and arylboronic acids was successfully achieved within only ca. 20 s during the single-pass through a cartridge filled with palladium on carbon (Pd/C. No palladium leaching was observed in the collected reaction solution by atomic absorption spectrometry (detection limit: 1 ppm.

Reversible logic gates based on enzyme-biocatalyzed reactions and realized in flow cells: a modular approach.

Science.gov (United States)

Fratto, Brian E; Katz, Evgeny

2015-05-18

Reversible logic gates, such as the double Feynman gate, Toffoli gate and Peres gate, with 3-input/3-output channels are realized using reactions biocatalyzed with enzymes and performed in flow systems. The flow devices are constructed using a modular approach, where each flow cell is modified with one enzyme that biocatalyzes one chemical reaction. The multi-step processes mimicking the reversible logic gates are organized by combining the biocatalytic cells in different networks. This work emphasizes logical but not physical reversibility of the constructed systems. Their advantages and disadvantages are discussed and potential use in biosensing systems, rather than in computing devices, is suggested. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Continuous protein concentration via free-flow moving reaction boundary electrophoresis.

Science.gov (United States)

Kong, Fanzhi; Zhang, Min; Chen, Jingjing; Fan, Liuyin; Xiao, Hua; Liu, Shaorong; Cao, Chengxi

2017-07-28

In this work, we developed the model and theory of free-flow moving reaction boundary electrophoresis (FFMRB) for continuous protein concentration for the first time. The theoretical results indicated that (i) the moving reaction boundary (MRB) can be quantitatively designed in free-flow electrophoresis (FFE) system; (ii) charge-to-mass ratio (Z/M) analysis could provide guidance for protein concentration optimization; and (iii) the maximum processing capacity could be predicted. To demonstrate the model and theory, three model proteins of hemoglobin (Hb), cytochrome C (Cyt C) and C-phycocyanin (C-PC) were chosen for the experiments. The experimental results verified that (i) stable MRBs with different velocities could be established in FFE apparatus with weak acid/weak base neutralization reaction system; (ii) proteins of Hb, Cyt C and C-PC were well concentrated with FFMRB; and (iii) a maximum processing capacity and recovery ratio of Cyt C enrichment were 126mL/h and 95.5% respectively, and a maximum enrichment factor was achieved 12.6 times for Hb. All of the experiments demonstrated the protein concentration model and theory. In contrast to other methods, the continuous processing ability enables FFMRB to efficiently enrich diluted protein or peptide in large volume solution. Copyright © 2017 Elsevier B.V. All rights reserved.

Catalytic reaction in a porous solid subject to a boundary layer flow

Energy Technology Data Exchange (ETDEWEB)

Mihail, R; Teddorescu, C

1978-01-01

A mathematical model of a boundary layer flowing past a catalytic slab was developed which included an analysis of the coupled mass and heat transfer and the heterogeneous chemical reaction. The porous flat plate was used to illustrate the interaction of boundary layer flow with chemical reaction within a porous catalytic body. The model yielded systems of transcendental equations which were solved numerically by means of a superposition integral in connection with a norm reduction procedure. A parametric study was conducted and an analysis of the possible multiplicity of steady states was developed and illustrated for the extreme case of infinite solid thermal conductivity. Tables, diagrams, graphs, and 12 references.

Competitive autocatalytic reactions in chaotic flows with diffusion: Prediction using finite-time Lyapunov exponents

International Nuclear Information System (INIS)

Schlick, Conor P.; Umbanhowar, Paul B.; Ottino, Julio M.; Lueptow, Richard M.

2014-01-01

We investigate chaotic advection and diffusion in autocatalytic reactions for time-periodic sine flow computationally using a mapping method with operator splitting. We specifically consider three different autocatalytic reaction schemes: a single autocatalytic reaction, competitive autocatalytic reactions, which can provide insight into problems of chiral symmetry breaking and homochirality, and competitive autocatalytic reactions with recycling. In competitive autocatalytic reactions, species B and C both undergo an autocatalytic reaction with species A such that A+B→2B and A+C→2C. Small amounts of initially spatially localized B and C and a large amount of spatially homogeneous A are advected by the velocity field, diffuse, and react until A is completely consumed and only B and C remain. We find that local finite-time Lyapunov exponents (FTLEs) can accurately predict the final average concentrations of B and C after the reaction completes. The species that starts in the region with the larger FTLE has, with high probability, the larger average concentration at the end of the reaction. If B and C start in regions with similar FTLEs, their average concentrations at the end of the reaction will also be similar. When a recycling reaction is added, the system evolves towards a single species state, with the FTLE often being useful in predicting which species fills the entire domain and which is depleted. The FTLE approach is also demonstrated for competitive autocatalytic reactions in journal bearing flow, an experimentally realizable flow that generates chaotic dynamics

Scaling Hydrologic Exchange Flows and Biogeochemical Reactions from Bedforms to Basins

Science.gov (United States)

Harvey, J. W.; Gomez-Velez, J. D.

2015-12-01

River water moves in and out of the main channel along pathways that are perpendicular to the channel's main axis that flow across or beneath the ground surface. These hydrologic exchange flows (HEFs) are difficult to measure, yet no less important than a river's downstream flow, or exchanges with the atmosphere and deeper groundwater (Harvey and Gooseff, 2015, WRR). There are very few comprehensive investigations of exchange fluxes to understand patterns with river size and relative importance of specific types of exchanges. We used the physically based model NEXSS to simulate multiple scales of hyporheic flow and their cumulative effects on solute reaction in large basins (on the order of Chesapeake Bay basin or larger). Our goal was to explain where and when particular types of hyporheic flow are important in enhancing key biogeochemical reactions, such as organic carbon respiration and denitrification. Results demonstrate that hyporheic flux (expressed per unit area of streambed) varies surprisingly little across the continuum of first-order streams to eighth-order rivers, and vertical exchange beneath small bedforms dominates in comparison with lateral flow beneath gravel bars and meanders. Also, the river's entire volume is exchanged many times with hyporheic flow within a basin, and the turnover length (after one entire river volume is exchanged) is strongly influenced by hydrogeomorphic differences between physiographic regions as well as by river size. The cumulative effects on biogeochemical reactions were assessed using a the reaction significance factor, RSF, which computes the cumulative potential for hyporheic reactions using a dimensionless index that balances reaction progress in a single hyporheic flow path against overall processing efficiency of river turnover through hyporheic flow paths of that type. Reaction significance appears to be strongly dominated by hydrologic factors rather than biogeochemical factors, and seems to be dominated by

Numerical simulation of flow in De-NOx catalyst honeycomb with NOx reduction reaction

Energy Technology Data Exchange (ETDEWEB)

Tanno, K.; Makino, H. [Electric Power Industry, Kanagawa (Japan). Energy Engineering Research Lab.; Kurose, R.; Komori, S. [Kyoto Univ. (Japan). Dept. of Mechanical Engineering and Science

2013-07-01

The effect of flow behavior in a De-NOx honeycomb with NOx reduction reaction is investigated by direct numerical simulation (DNS). As the inlet flow, fully developed turbulent or laminar flow is given. The results show that the surface reaction is strongly affected by inner flow behavior. The surface reaction rate for the turbulent flow is higher than that for the laminar flow. This is due to the difference of inner flow behavior that the diffusion of NOx in the vicinity of the wall is dominated only by molecular diffusion for the laminar flow, whereas it is enhanced by turbulent motions for the turbulent flow. Moreover, surface reaction is suppressed towards downstream even though inlet flow is turbulent. This is due to the flow transition from turbulent to laminar.

The assembly and use of continuous flow systems for chemical synthesis.

Science.gov (United States)

Britton, Joshua; Jamison, Timothy F

2017-11-01

The adoption of and opportunities in continuous flow synthesis ('flow chemistry') have increased significantly over the past several years. Continuous flow systems provide improved reaction safety and accelerated reaction kinetics, and have synthesised several active pharmaceutical ingredients in automated reconfigurable systems. Although continuous flow platforms are commercially available, systems constructed 'in-lab' provide researchers with a flexible, versatile, and cost-effective alternative. Herein, we describe the assembly and use of a modular continuous flow apparatus from readily available and affordable parts in as little as 30 min. Once assembled, the synthesis of a sulfonamide by reacting 4-chlorobenzenesulfonyl chloride with dibenzylamine in a single reactor coil with an in-line quench is presented. This example reaction offers the opportunity to learn several important skills including reactor construction, charging of a back-pressure regulator, assembly of stainless-steel syringes, assembly of a continuous flow system with multiple junctions, and yield determination. From our extensive experience of single-step and multistep continuous flow synthesis, we also describe solutions to commonly encountered technical problems such as precipitation of solids ('clogging') and reactor failure. Following this protocol, a nonspecialist can assemble a continuous flow system from reactor coils, syringes, pumps, in-line liquid-liquid separators, drying columns, back-pressure regulators, static mixers, and packed-bed reactors.

Effects of gas flow on oxidation reaction in liquid induced by He/O{sub 2} plasma-jet irradiation

Energy Technology Data Exchange (ETDEWEB)

Nakajima, Atsushi; Uchida, Giichiro, E-mail: uchida@jwri.osaka-u.ac.jp; Takenaka, Kosuke; Setsuhara, Yuichi [Joining and Welding Research Institute, Osaka University, Ibaraki, Osaka 567-0047 (Japan); Kawasaki, Toshiyuki [Department of Mechanical and Electrical Engineering, Nippon Bunri University, Oita, Oita 870-0397 (Japan); Koga, Kazunori; Sarinont, Thapanut; Amano, Takaaki; Shiratani, Masaharu [Graduate School of Information Science and Electrical Engineering, Kyushu University, Fukuoka, Fukuoka 819-0395 (Japan)

2015-07-28

We present here analysis of oxidation reaction in liquid by a plasma-jet irradiation under various gas flow patterns such as laminar and turbulence flows. To estimate the total amount of oxidation reaction induced by reactive oxygen species (ROS) in liquid, we employ a KI-starch solution system, where the absorbance of the KI-starch solution near 600 nm behaves linear to the total amount of oxidation reaction in liquid. The laminar flow with higher gas velocity induces an increase in the ROS distribution area on the liquid surface, which results in a large amount of oxidation reaction in liquid. However, a much faster gas flow conversely results in a reduction in the total amount of oxidation reaction in liquid under the following two conditions: first condition is that the turbulence flow is triggered in a gas flow channel at a high Reynolds number of gas flow, which leads to a marked change of the spatial distribution of the ROS concentration in gas phase. Second condition is that the dimpled liquid surface is formed by strong gas flow, which prevents the ROS from being transported in radial direction along the liquid surface.

Evaluation of a commercial packed bed flow hydrogenator for reaction screening, optimization, and synthesis

Directory of Open Access Journals (Sweden)

Marian C. Bryan

2011-08-01

Full Text Available The performance of the ThalesNano H-Cube®, a commercial packed bed flow hydrogenator, was evaluated in the context of small scale reaction screening and optimization. A model reaction, the reduction of styrene to ethylbenzene through a 10% Pd/C catalyst bed, was used to examine performance at various pressure settings, over sequential runs, and with commercial catalyst cartridges. In addition, the consistency of the hydrogen flow was indirectly measured by in-line UV spectroscopy. Finally, system contamination due to catalyst leaching, and the resolution of this issue, is described. The impact of these factors on the run-to-run reproducibility of the H-Cube® reactor for screening and reaction optimization is discussed.

NMR reaction monitoring in flow synthesis.

Science.gov (United States)

Gomez, M Victoria; de la Hoz, Antonio

2017-01-01

Recent advances in the use of flow chemistry with in-line and on-line analysis by NMR are presented. The use of macro- and microreactors, coupled with standard and custom made NMR probes involving microcoils, incorporated into high resolution and benchtop NMR instruments is reviewed. Some recent selected applications have been collected, including synthetic applications, the determination of the kinetic and thermodynamic parameters and reaction optimization, even in single experiments and on the μL scale. Finally, software that allows automatic reaction monitoring and optimization is discussed.

NMR reaction monitoring in flow synthesis

Directory of Open Access Journals (Sweden)

M. Victoria Gomez

2017-02-01

Full Text Available Recent advances in the use of flow chemistry with in-line and on-line analysis by NMR are presented. The use of macro- and microreactors, coupled with standard and custom made NMR probes involving microcoils, incorporated into high resolution and benchtop NMR instruments is reviewed. Some recent selected applications have been collected, including synthetic applications, the determination of the kinetic and thermodynamic parameters and reaction optimization, even in single experiments and on the μL scale. Finally, software that allows automatic reaction monitoring and optimization is discussed.

PHAST--a program for simulating ground-water flow, solute transport, and multicomponent geochemical reactions

Science.gov (United States)

Parkhurst, David L.; Kipp, Kenneth L.; Engesgaard, Peter; Charlton, Scott R.

2004-01-01

The computer program PHAST simulates multi-component, reactive solute transport in three-dimensional saturated ground-water flow systems. PHAST is a versatile ground-water flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. PHAST is applicable to the study of natural and contaminated ground-water systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock-water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, density-dependent flow, or waters with high ionic strengths. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux, and leaky conditions, as well as the special cases of rivers and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, gases, surface complexation sites, ion exchange sites, and solid solutions; and (3) kinetic reactions with rates that are a function of solution composition. The aqueous model (elements, chemical reactions, and equilibrium constants), minerals, gases, exchangers, surfaces, and rate expressions may be defined or modified by the user. A number of options are available to save results of simulations to output files. The data may be saved in three formats: a format suitable for viewing with a text editor; a

Numerical analysis for Darcy-Forchheimer flow in presence of homogeneous-heterogeneous reactions

Directory of Open Access Journals (Sweden)

Muhammad Ijaz Khan

Full Text Available A mathematical study is presented to investigate the influences of homogeneous and heterogeneous reactions in local similar flow caused by stretching sheet with a non-linear velocity and variable thickness. Porous medium effects are characterized by using Darcy-Forchheimer porous-media. A simple isothermal model of homogeneous-heterogeneous reactions is used. The multiphysical boundary value problem is dictated by ten thermophysical parameters: ratio of mass diffusion coefficients, Prandtl number, local inertia coefficient parameter, inverse Darcy number, shape parameter, surface thickness parameter, Hartman number, Homogeneous heat reaction, strength of homogeneous-heterogeneous reactions and Schmidt number. Resulting systems are computed by Runge-Kutta-Fehlberg method. Different shapes of velocity are noticed for n > 1 and n < 1. Keywords: Homogeneous-heterogeneous reactions, Non Darcy porous medium, Variable sheet thickness, Homogeneous heat reaction with stoichiometric coefficient, Runge-Kutta-Fehlberg method

Numerical study of homogeneous–heterogeneous reactions in Sisko fluid flow past a stretching cylinder

Directory of Open Access Journals (Sweden)

Rabia Malik

2018-03-01

Full Text Available The motivation behind the present study is to focus on the effects of stagnation-point flow and heat transfer to the Sisko fluid past an impermeable stretching cylinder involving convective boundary conditions with homogeneous–heterogeneous reactions. Diffusion coefficients of species A and B are assumed to be of the same size. Also, it is assumed that heat released during chemical reaction is negligible. A system of governing ordinary differential equations is obtained by using suitable transformations which are then solved numerically by means of the shooting method combined with Runge-Kutta method. The obtained numerical results are then presented in graphical and tabular form and are discussed at length. The results obtained reveal that the concentration profile decreases with increasing homogeneous and heterogeneous reactions parameters. Keywords: Homogeneous–heterogeneous reactions, Non-linearly stretching cylinder, Stagnation-point flow, Convective boundary conditions, Sisko fluid

Polymerase chain reaction system using magnetic beads for analyzing a sample that includes nucleic acid

Science.gov (United States)

Nasarabadi, Shanavaz [Livermore, CA

2011-01-11

A polymerase chain reaction system for analyzing a sample containing nucleic acid includes providing magnetic beads; providing a flow channel having a polymerase chain reaction chamber, a pre polymerase chain reaction magnet position adjacent the polymerase chain reaction chamber, and a post pre polymerase magnet position adjacent the polymerase chain reaction chamber. The nucleic acid is bound to the magnetic beads. The magnetic beads with the nucleic acid flow to the pre polymerase chain reaction magnet position in the flow channel. The magnetic beads and the nucleic acid are washed with ethanol. The nucleic acid in the polymerase chain reaction chamber is amplified. The magnetic beads and the nucleic acid are separated into a waste stream containing the magnetic beads and a post polymerase chain reaction mix containing the nucleic acid. The reaction mix containing the nucleic acid flows to an analysis unit in the channel for analysis.

Dichotomous-noise-induced pattern formation in a reaction-diffusion system

Science.gov (United States)

Das, Debojyoti; Ray, Deb Shankar

2013-06-01

We consider a generic reaction-diffusion system in which one of the parameters is subjected to dichotomous noise by controlling the flow of one of the reacting species in a continuous-flow-stirred-tank reactor (CSTR) -membrane reactor. The linear stability analysis in an extended phase space is carried out by invoking Furutzu-Novikov procedure for exponentially correlated multiplicative noise to derive the instability condition in the plane of the noise parameters (correlation time and strength of the noise). We demonstrate that depending on the correlation time an optimal strength of noise governs the self-organization. Our theoretical analysis is corroborated by numerical simulations on pattern formation in a chlorine-dioxide-iodine-malonic acid reaction-diffusion system.

Decay to Equilibrium for Energy-Reaction-Diffusion Systems

KAUST Repository

Haskovec, Jan

2018-02-06

We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient flow. The novelty of the approach is the Onsager structure, which is the dual form of a gradient system, and the formulation in terms of the densities and the internal energy. In these variables it is possible to assume that the entropy density is strictly concave such that there is a unique maximizer (thermodynamical equilibrium) given linear constraints on the total energy and suitable density constraints. We consider two particular systems of this type, namely, a diffusion-reaction bipolar energy transport system, and a drift-diffusion-reaction energy transport system with confining potential. We prove corresponding entropy-entropy production inequalities with explicitly calculable constants and establish the convergence to thermodynamical equilibrium, first in entropy and later in L norm using Cziszár–Kullback–Pinsker type inequalities.

Decay to Equilibrium for Energy-Reaction-Diffusion Systems

KAUST Repository

Haskovec, Jan; Hittmeir, Sabine; Markowich, Peter A.; Mielke, Alexander

2018-01-01

We derive thermodynamically consistent models of reaction-diffusion equations coupled to a heat equation. While the total energy is conserved, the total entropy serves as a driving functional such that the full coupled system is a gradient flow. The novelty of the approach is the Onsager structure, which is the dual form of a gradient system, and the formulation in terms of the densities and the internal energy. In these variables it is possible to assume that the entropy density is strictly concave such that there is a unique maximizer (thermodynamical equilibrium) given linear constraints on the total energy and suitable density constraints. We consider two particular systems of this type, namely, a diffusion-reaction bipolar energy transport system, and a drift-diffusion-reaction energy transport system with confining potential. We prove corresponding entropy-entropy production inequalities with explicitly calculable constants and establish the convergence to thermodynamical equilibrium, first in entropy and later in L norm using Cziszár–Kullback–Pinsker type inequalities.

Diels–Alder reactions of myrcene using intensified continuous-flow reactors

Directory of Open Access Journals (Sweden)

Christian H. Hornung

2017-01-01

Full Text Available This work describes the Diels–Alder reaction of the naturally occurring substituted butadiene, myrcene, with a range of different naturally occurring and synthetic dienophiles. The synthesis of the Diels–Alder adduct from myrcene and acrylic acid, containing surfactant properties, was scaled-up in a plate-type continuous-flow reactor with a volume of 105 mL to a throughput of 2.79 kg of the final product per day. This continuous-flow approach provides a facile alternative scale-up route to conventional batch processing, and it helps to intensify the synthesis protocol by applying higher reaction temperatures and shorter reaction times.

PHAST Version 2-A Program for Simulating Groundwater Flow, Solute Transport, and Multicomponent Geochemical Reactions

Science.gov (United States)

Parkhurst, David L.; Kipp, Kenneth L.; Charlton, Scott R.

2010-01-01

The computer program PHAST (PHREEQC And HST3D) simulates multicomponent, reactive solute transport in three-dimensional saturated groundwater flow systems. PHAST is a versatile groundwater flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. Major enhancements in PHAST Version 2 allow spatial data to be defined in a combination of map and grid coordinate systems, independent of a specific model grid (without node-by-node input). At run time, aquifer properties are interpolated from the spatial data to the model grid; regridding requires only redefinition of the grid without modification of the spatial data. PHAST is applicable to the study of natural and contaminated groundwater systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock/water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, or density-dependent flow. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux (specified-flux), and leaky (head-dependent) conditions, as well as the special cases of rivers, drains, and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association or Pitzer specific interaction thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, ion exchange sites, surface complexation sites, solid solutions, and gases; and

Cross-flow electrochemical reactor cells, cross-flow reactors, and use of cross-flow reactors for oxidation reactions

Science.gov (United States)

Balachandran, Uthamalingam; Poeppel, Roger B.; Kleefisch, Mark S.; Kobylinski, Thaddeus P.; Udovich, Carl A.

1994-01-01

This invention discloses cross-flow electrochemical reactor cells containing oxygen permeable materials which have both electron conductivity and oxygen ion conductivity, cross-flow reactors, and electrochemical processes using cross-flow reactor cells having oxygen permeable monolithic cores to control and facilitate transport of oxygen from an oxygen-containing gas stream to oxidation reactions of organic compounds in another gas stream. These cross-flow electrochemical reactors comprise a hollow ceramic blade positioned across a gas stream flow or a stack of crossed hollow ceramic blades containing a channel or channels for flow of gas streams. Each channel has at least one channel wall disposed between a channel and a portion of an outer surface of the ceramic blade, or a common wall with adjacent blades in a stack comprising a gas-impervious mixed metal oxide material of a perovskite structure having electron conductivity and oxygen ion conductivity. The invention includes reactors comprising first and second zones seprated by gas-impervious mixed metal oxide material material having electron conductivity and oxygen ion conductivity. Prefered gas-impervious materials comprise at least one mixed metal oxide having a perovskite structure or perovskite-like structure. The invention includes, also, oxidation processes controlled by using these electrochemical reactors, and these reactions do not require an external source of electrical potential or any external electric circuit for oxidation to proceed.

Flows and chemical reactions in homogeneous mixtures

CERN Document Server

Prud'homme, Roger

2013-01-01

Flows with chemical reactions can occur in various fields such as combustion, process engineering, aeronautics, the atmospheric environment and aquatics. The examples of application chosen in this book mainly concern homogeneous reactive mixtures that can occur in propellers within the fields of process engineering and combustion: - propagation of sound and monodimensional flows in nozzles, which may include disequilibria of the internal modes of the energy of molecules; - ideal chemical reactors, stabilization of their steady operation points in the homogeneous case of a perfect mixture and c

Coupled processes of fluid flow, solute transport, and geochemical reactions in reactive barriers

Energy Technology Data Exchange (ETDEWEB)

Kim, Jeongkon; Schwartz, Franklin W.; Xu, Tianfu; Choi, Heechul, and Kim, In S.

2004-01-02

A complex pattern of coupling between fluid flow and mass transport develops when heterogeneous reactions occur. For instance, dissolution and precipitation reactions can change a porous medium's physical properties, such as pore geometry and thus permeability. These changes influence fluid flow, which in turn impacts the composition of dissolved constituents and the solid phases, and the rate and direction of advective transport. Two-dimensional modeling studies using TOUGHREACT were conducted to investigate the coupling between flow and transport developed as a consequence of differences in density, dissolution precipitation, and medium heterogeneity. The model includes equilibrium reactions for aqueous species, kinetic reactions between the solid phases and aqueous constituents, and full coupling of porosity and permeability changes resulting from precipitation and dissolution reactions in porous media. In addition, a new permeability relationship is implemented in TOUGHREACT to examine the effects of geochemical reactions and density difference on plume migration in porous media. Generally, the evolutions in the concentrations of the aqueous phase are intimately related to the reaction-front dynamics. Plugging of the medium contributed to significant transients in patterns of flow and mass transport.

Three dimensional radiative flow of magnetite-nanofluid with homogeneous-heterogeneous reactions

Science.gov (United States)

Hayat, Tasawar; Rashid, Madiha; Alsaedi, Ahmed

2018-03-01

Present communication deals with the effects of homogeneous-heterogeneous reactions in flow of nanofluid by non-linear stretching sheet. Water based nanofluid containing magnetite nanoparticles is considered. Non-linear radiation and non-uniform heat sink/source effects are examined. Non-linear differential systems are computed by Optimal homotopy analysis method (OHAM). Convergent solutions of nonlinear systems are established. The optimal data of auxiliary variables is obtained. Impact of several non-dimensional parameters for velocity components, temperature and concentration fields are examined. Graphs are plotted for analysis of surface drag force and heat transfer rate.

Invariant boxes and stability of some systems from biomathematics and chemical reactions

International Nuclear Information System (INIS)

Pavel, N.H.

1984-08-01

A general theorem on the flow-invariance of a time-dependent rectangular box with respect to a differential system is first recalled [''Analysis of some non-linear problems'' in Banach Spaces and Applications, Univ. of Iasi (Romania) (1982)]. Then a theorem applicable to the study of some differential systems from biomathematics and chemical reactions is given and proved. The theorem can be applied to enzymatic reactions, the chemical mechanism in the Belousov reaction, and the kinetic system for the chemical scheme of Hanusse of two processes with three intermediate species [in Pavel, N.H., Differential Equations, Flow-invariance and Applications, Pitman Publishing, Ltd., London (to appear)]. Next, the matrices A for which the corresponding linear system x'=Ax is component-wise positive asymptotically stable are characterized. In the Appendix a partial answer to an open problem regarding the preservation of both continuity and dissipativity in the extension of functions to a Banach space is given

Development of wide area reaction system for Reel-to-Reel TFA-MOD process

International Nuclear Information System (INIS)

Nomoto, Sukeharu; Aoki, Yuji; Teranishi, Ryo; Sato, Akihiro; Izumi, Teruo; Shiohara, Yuh

2006-01-01

The previously developed numerical simulation method for the TFA-MOD process, which calculated the YBCO growth kinetics, gas element diffusion and gas flow, was applied to study the suitable gas flow mode for a multi-turning Reel-to-Reel tape conveyance system of a long YBCO coated conductors. The high YBCO production rate with uniform J c distribution among tape lines is desired in the system. It was found by the numerical simulation for the vertical gas flow onto the tape surface to realize the above demands even in a wider reaction area. We developed a new wide area reaction tube for the Reel-to-Reel TFA-MOD process according to the numerically designed gas flow configuration. The demand for the new tube was confirmed to be satisfied by experiments

A model for reaction rates in turbulent reacting flows

Science.gov (United States)

Chinitz, W.; Evans, J. S.

1984-01-01

To account for the turbulent temperature and species-concentration fluctuations, a model is presented on the effects of chemical reaction rates in computer analyses of turbulent reacting flows. The model results in two parameters which multiply the terms in the reaction-rate equations. For these two parameters, graphs are presented as functions of the mean values and intensity of the turbulent fluctuations of the temperature and species concentrations. These graphs will facilitate incorporation of the model into existing computer programs which describe turbulent reacting flows. When the model was used in a two-dimensional parabolic-flow computer code to predict the behavior of an experimental, supersonic hydrogen jet burning in air, some improvement in agreement with the experimental data was obtained in the far field in the region near the jet centerline. Recommendations are included for further improvement of the model and for additional comparisons with experimental data.

Continuous-flow processes for the catalytic partial hydrogenation reaction of alkynes

Directory of Open Access Journals (Sweden)

Carmen Moreno-Marrodan

2017-04-01

Full Text Available The catalytic partial hydrogenation of substituted alkynes to alkenes is a process of high importance in the manufacture of several market chemicals. The present paper shortly reviews the heterogeneous catalytic systems engineered for this reaction under continuous flow and in the liquid phase. The main contributions appeared in the literature from 1997 up to August 2016 are discussed in terms of reactor design. A comparison with batch and industrial processes is provided whenever possible.

Cascade redox flow battery systems

Science.gov (United States)

Horne, Craig R.; Kinoshita, Kim; Hickey, Darren B.; Sha, Jay E.; Bose, Deepak

2014-07-22

A reduction/oxidation ("redox") flow battery system includes a series of electrochemical cells arranged in a cascade, whereby liquid electrolyte reacts in a first electrochemical cell (or group of cells) before being directed into a second cell (or group of cells) where it reacts before being directed to subsequent cells. The cascade includes 2 to n stages, each stage having one or more electrochemical cells. During a charge reaction, electrolyte entering a first stage will have a lower state-of-charge than electrolyte entering the nth stage. In some embodiments, cell components and/or characteristics may be configured based on a state-of-charge of electrolytes expected at each cascade stage. Such engineered cascades provide redox flow battery systems with higher energy efficiency over a broader range of current density than prior art arrangements.

Numerical study for Darcy-Forchheimer flow due to a curved stretching surface with Cattaneo-Christov heat flux and homogeneous-heterogeneous reactions

Directory of Open Access Journals (Sweden)

Tasawar Hayat

Full Text Available The current investigation presents Darcy-Forchheimer flow of viscous fluid caused by a curved stretching sheet. Flow for porous space is characterized by Darcy-Forchheimer relation. Concept of homogeneous and heterogeneous reactions is also utilized. Heat transfer for Cattaneo–Christov theory characterizing the feature of thermal relaxation is incorporated. Nonlinear differential systems are derived. Shooting algorithm is employed to construct the solutions for the resulting nonlinear system. The characteristics of various sundry parameters are studied and discussed. Skin friction coefficient and heat transfer rate are numerically described. Keywords: 2D flow, Curved stretching surface, Darcy-Forchheimer porous medium, Cattaneo-Christov heat flux, Homogeneous-heterogeneous reactions

Mineral carbonation: energy costs of pretreatment options and insights gained from flow loop reaction studies

Energy Technology Data Exchange (ETDEWEB)

Penner, Larry R.; O' Connor, William K.; Dahlin, David C.; Gerdemann, Stephen J.; Rush, Gilbert E.

2004-01-01

Sequestration of carbon as a stable mineral carbonate has been proposed to mitigate environmental concerns that carbon dioxide may with time escape from its sequestered matrix using alternative sequestration technologies. A method has been developed to prepare stable carbonate products by reacting CO2 with magnesium silicate minerals in aqueous bicarbonate/chloride media at high temperature and pressure. Because this approach is inherently expensive due to slow reaction rates and high capital costs, studies were conducted to improve the reaction rates through mineral pretreatment steps and to cut expenses through improved reactor technology. An overview is given for the estimated cost of the process including sensitivity to grinding and heating as pretreatment options for several mineral feedstocks. The energy costs are evaluated for each pretreatment in terms of net carbon avoided. New studies with a high-temperature, high-pressure flow-loop reactor have yielded information on overcoming kinetic barriers experienced with processing in stirred autoclave reactors. Repeated tests with the flow-loop reactor have yielded insights on wear and failure of system components, on challenges to maintain and measure flow, and for better understanding of the reaction mechanism.

Mineral carbonation: energy costs of pretreatment options and insights gained from flow loop reaction studies

International Nuclear Information System (INIS)

Penner, Larry R.; O'Connor, William K.; Dahlin, David C.; Gerdemann, Stephen J.; Rush, Gilbert E.

2004-01-01

Sequestration of carbon as a stable mineral carbonate has been proposed to mitigate environmental concerns that carbon dioxide may with time escape from its sequestered matrix using alternative sequestration technologies. A method has been developed to prepare stable carbonate products by reacting CO2 with magnesium silicate minerals in aqueous bicarbonate/chloride media at high temperature and pressure. Because this approach is inherently expensive due to slow reaction rates and high capital costs, studies were conducted to improve the reaction rates through mineral pretreatment steps and to cut expenses through improved reactor technology. An overview is given for the estimated cost of the process including sensitivity to grinding and heating as pretreatment options for several mineral feedstocks. The energy costs are evaluated for each pretreatment in terms of net carbon avoided. New studies with a high-temperature, high-pressure flow-loop reactor have yielded information on overcoming kinetic barriers experienced with processing in stirred autoclave reactors. Repeated tests with the flow-loop reactor have yielded insights on wear and failure of system components, on challenges to maintain and measure flow, and for better understanding of the reaction mechanism

Enhancing chemical synthesis using catalytic reactions under continuous flow conditions

OpenAIRE

Asadi, Mousa

2017-01-01

Many advantages have been demonstrated for continuous flow chemistry in comparison with batch chemistry; such as easy automation, high level of reproducibility, improved safety, and process reliability. Indeed, with continuous flow processes constant reaction parameters such as temperature, time, amount of reagents, catalyst, solvents, efficient mixing etc. can easily be assured. The research detailed in this PhD thesis takes advantages of flow chemistry applying it to the Fukuyama ...

Unsteady Bioconvection Squeezing Flow in a Horizontal Channel with Chemical Reaction and Magnetic Field Effects

Directory of Open Access Journals (Sweden)

Qingkai Zhao

2017-01-01

Full Text Available The time-dependent mixed bioconvection flow of an electrically conducting fluid between two infinite parallel plates in the presence of a magnetic field and a first-order chemical reaction is investigated. The fully coupled nonlinear systems describing the total mass, momentum, thermal energy, mass diffusion, and microorganisms equations are reduced to a set of ordinary differential equations via a set of new similarity transformations. The detailed analysis illustrating the influences of various physical parameters such as the magnetic, squeezing, and chemical reaction parameters and the Schmidt and Prandtl numbers on the distributions of temperature and microorganisms as well as the skin friction and the Nusselt number is presented. The conclusion is drawn that the flow field, temperature, and chemical reaction profiles are significantly influenced by magnetic parameter, heat generation/absorption parameter, and chemical parameter. Some examples of potential applications of such bioconvection could be found in pharmaceutical industry, microfluidic devices, microbial enhanced oil recovery, modeling oil, and gas-bearing sedimentary basins.

Collective flow as a probe of heavy-ion reaction dynamics

International Nuclear Information System (INIS)

Awes, T.C.

1997-01-01

Collective flow of nuclear matter probes the dynamics of heavy-ion reactions and can provide information about the nuclear-matter equation of state. In particular, the incident energy dependences of collective flow may be a sensitive means to deduce the existence of a Quark Gluon Plasma phase in the equation of state. Collective flow measurements from 30 A MeV to 200 A GeV incident energies are briefly reviewed. Preliminary results on collective flow from the WA98 experiment at the CERN SPS are presented

Flow-Based Systems for Rapid and High-Precision Enzyme Kinetics Studies

Directory of Open Access Journals (Sweden)

Supaporn Kradtap Hartwell

2012-01-01

Full Text Available Enzyme kinetics studies normally focus on the initial rate of enzymatic reaction. However, the manual operation of steps of the conventional enzyme kinetics method has some drawbacks. Errors can result from the imprecise time control and time necessary for manual changing the reaction cuvettes into and out of the detector. By using the automatic flow-based analytical systems, enzyme kinetics studies can be carried out at real-time initial rate avoiding the potential errors inherent in manual operation. Flow-based systems have been developed to provide rapid, low-volume, and high-precision analyses that effectively replace the many tedious and high volume requirements of conventional wet chemistry analyses. This article presents various arrangements of flow-based techniques and their potential use in future enzyme kinetics applications.

Sleeve reaction chamber system

Science.gov (United States)

Northrup, M Allen [Berkeley, CA; Beeman, Barton V [San Mateo, CA; Benett, William J [Livermore, CA; Hadley, Dean R [Manteca, CA; Landre, Phoebe [Livermore, CA; Lehew, Stacy L [Livermore, CA; Krulevitch, Peter A [Pleasanton, CA

2009-08-25

A chemical reaction chamber system that combines devices such as doped polysilicon for heating, bulk silicon for convective cooling, and thermoelectric (TE) coolers to augment the heating and cooling rates of the reaction chamber or chambers. In addition the system includes non-silicon-based reaction chambers such as any high thermal conductivity material used in combination with a thermoelectric cooling mechanism (i.e., Peltier device). The heat contained in the thermally conductive part of the system can be used/reused to heat the device, thereby conserving energy and expediting the heating/cooling rates. The system combines a micromachined silicon reaction chamber, for example, with an additional module/device for augmented heating/cooling using the Peltier effect. This additional module is particularly useful in extreme environments (very hot or extremely cold) where augmented heating/cooling would be useful to speed up the thermal cycling rates. The chemical reaction chamber system has various applications for synthesis or processing of organic, inorganic, or biochemical reactions, including the polymerase chain reaction (PCR) and/or other DNA reactions, such as the ligase chain reaction.

Transverse flow reactor studies of the dynamics of radical reactions

Energy Technology Data Exchange (ETDEWEB)

Macdonald, R.G. [Argonne National Laboratory, IL (United States)

1993-12-01

Radical reactions are in important in combustion chemistry; however, little state-specific information is available for these reactions. A new apparatus has been constructed to measure the dynamics of radical reactions. The unique feature of this apparatus is a transverse flow reactor in which an atom or radical of known concentration will be produced by pulsed laser photolysis of an appropriate precursor molecule. The time dependence of individual quantum states or products and/or reactants will be followed by rapid infrared laser absorption spectroscopy. The reaction H + O{sub 2} {yields} OH + O will be studied.

Modeling and simulation of enzymatic gluconic acid production using immobilized enzyme and CSTR-PFTR circulation reaction system.

Science.gov (United States)

Li, Can; Lin, Jianqun; Gao, Ling; Lin, Huibin; Lin, Jianqiang

2018-04-01

Production of gluconic acid by using immobilized enzyme and continuous stirred tank reactor-plug flow tubular reactor (CSTR-PFTR) circulation reaction system. A production system is constructed for gluconic acid production, which consists of a continuous stirred tank reactor (CSTR) for pH control and liquid storage and a plug flow tubular reactor (PFTR) filled with immobilized glucose oxidase (GOD) for gluconic acid production. Mathematical model is developed for this production system and simulation is made for the enzymatic reaction process. The pH inhibition effect on GOD is modeled by using a bell-type curve. Gluconic acid can be efficiently produced by using the reaction system and the mathematical model developed for this system can simulate and predict the process well.

Driving Chemical Reactions in Plasmonic Nanogaps with Electrohydrodynamic Flow.

Science.gov (United States)

Thrift, William J; Nguyen, Cuong Q; Darvishzadeh-Varcheie, Mahsa; Zare, Siavash; Sharac, Nicholas; Sanderson, Robert N; Dupper, Torin J; Hochbaum, Allon I; Capolino, Filippo; Abdolhosseini Qomi, Mohammad Javad; Ragan, Regina

2017-11-28

Nanoparticles from colloidal solution-with controlled composition, size, and shape-serve as excellent building blocks for plasmonic devices and metasurfaces. However, understanding hierarchical driving forces affecting the geometry of oligomers and interparticle gap spacings is still needed to fabricate high-density architectures over large areas. Here, electrohydrodynamic (EHD) flow is used as a long-range driving force to enable carbodiimide cross-linking between nanospheres and produces oligomers exhibiting sub-nanometer gap spacing over mm 2 areas. Anhydride linkers between nanospheres are observed via surface-enhanced Raman scattering (SERS) spectroscopy. The anhydride linkers are cleavable via nucleophilic substitution and enable placement of nucleophilic molecules in electromagnetic hotspots. Atomistic simulations elucidate that the transient attractive force provided by EHD flow is needed to provide a sufficient residence time for anhydride cross-linking to overcome slow reaction kinetics. This synergistic analysis shows assembly involves an interplay between long-range driving forces increasing nanoparticle-nanoparticle interactions and probability that ligands are in proximity to overcome activation energy barriers associated with short-range chemical reactions. Absorption spectroscopy and electromagnetic full-wave simulations show that variations in nanogap spacing have a greater influence on optical response than variations in close-packed oligomer geometry. The EHD flow-anhydride cross-linking assembly method enables close-packed oligomers with uniform gap spacings that produce uniform SERS enhancement factors. These results demonstrate the efficacy of colloidal driving forces to selectively enable chemical reactions leading to future assembly platforms for large-area nanodevices.

A multipumping flow system for in vitro screening of peroxynitrite scavengers.

Science.gov (United States)

Ribeiro, Marta F T; Dias, Ana C B; Santos, João L M; Fernandes, Eduarda; Lima, José L F C; Zagatto, Elias A G

2007-09-01

Peroxynitrite anion is a reactive nitrogen species formed in vivo by the rapid, controlled diffusion reaction between nitric oxide and superoxide radicals. By reacting with several biological molecules, peroxynitrite may cause important cellular and tissue deleterious effects, which have been associated with many diseases. In this work, an automated flow-based procedure for the in vitro generation of peroxynitrite and subsequent screening of the scavenging activity of selected compounds is developed. This procedure involves a multipumping flow system (MPFS) and exploits the ability of compounds such as lipoic acid, dihydrolipoic acid, cysteine, reduced glutathione, oxidized glutathione, sulindac, and sulindac sulfone to inhibit the chemiluminescent reaction of luminol with peroxynitrite under physiological simulated conditions. Peroxynitrite was generated in the MPFS by the online reaction of acidified hydrogen peroxide with nitrite, followed by a subsequent stabilization by merging with a sodium hydroxide solution to rapidly quench the developing reaction. The pulsed flow and the timed synchronized insertion of sample and reagent solutions provided by the MPFS ensure the establishment of the reaction zone only inside the flow cell, thus allowing maximum chemiluminescence emission detection. The results obtained for the assayed compounds show that, with the exception of oxidized glutathione, all are highly potent scavengers of peroxynitrite at the studied concentrations.

Inertial confinement fusion reaction chamber and power conversion system study

International Nuclear Information System (INIS)

Maya, I.; Schultz, K.R.; Battaglia, J.M.

1984-09-01

GA Technologies has developed a conceptual ICF reactor system based on the Cascade rotating-bed reaction chamber concept. Unique features of the system design include the use of low activation SiC in a reaction chamber constructed of box-shaped tiles held together in compression by prestressing tendons to the vacuum chamber. Circulating Li 2 O granules serve as the tritium breeding and energy transport material, cascading down the sides of the reaction chamber to the power conversion system. The total tritium inventory of the system is 6 kg; tritium recovery is accomplished directly from the granules via the vacuum system. A system for centrifugal throw transport of the hot Li 2 O granules from the reaction chamber to the power conversion system has been developed. A number of issues were evaluated during the course of this study. These include the response of first-layer granules to the intense microexplosion surface heat flux, cost effective fabrication of Li 2 O granules, tritium inventory and recovery issues, the thermodynamics of solids-flow options, vacuum versus helium-medium heat transfer, and the tradeoffs of capital cost versus efficiency for alternate heat exchange and power conversion system option. The resultant design options appear to be economically competitive, safe, and environmentally attractive

Frozen reaction fronts in steady flows: A burning-invariant-manifold perspective

Science.gov (United States)

Mahoney, John R.; Li, John; Boyer, Carleen; Solomon, Tom; Mitchell, Kevin A.

2015-12-01

The dynamics of fronts, such as chemical reaction fronts, propagating in two-dimensional fluid flows can be remarkably rich and varied. For time-invariant flows, the front dynamics may simplify, settling in to a steady state in which the reacted domain is static, and the front appears "frozen." Our central result is that these frozen fronts in the two-dimensional fluid are composed of segments of burning invariant manifolds, invariant manifolds of front-element dynamics in x y θ space, where θ is the front orientation. Burning invariant manifolds (BIMs) have been identified previously as important local barriers to front propagation in fluid flows. The relevance of BIMs for frozen fronts rests in their ability, under appropriate conditions, to form global barriers, separating reacted domains from nonreacted domains for all time. The second main result of this paper is an understanding of bifurcations that lead from a nonfrozen state to a frozen state, as well as bifurcations that change the topological structure of the frozen front. Although the primary results of this study apply to general fluid flows, our analysis focuses on a chain of vortices in a channel flow with an imposed wind. For this system, we present both experimental and numerical studies that support the theoretical analysis developed here.

Design of the US-CRBRP sodium/water reaction pressure relief system

International Nuclear Information System (INIS)

Kruger, G.B.; Murdock, T.B.; Rodwell, E.; Sane, J.O.

1976-01-01

Protection against intermediate sodium system overpressure from the sodium/water reaction associated with large leaks within the CRBRP Steam Generators is provided by the sodium/water reaction pressure relief system (SWRPRS). This system consists of rupture disks connected to the intermediate sodium piping adjacent to the inlet to the superheater and outlet from the evaporator modules. The rupture discs relieve into piping that leads to reaction produce separator tanks, which in turn are vented to a centrifugal separator and flare stack arranged to burn hydrogen gas exhausting into the atmosphere. Analyses have been conducted using the TRANSWRAP Computer Code to predict the system pressures and flow rates during the large leak event. Experimental tests to be conducted in the large leak test rig (LLTR) will be used to confirm the analysis techniques used in the design

[Studies on a sequential injection renewable surface reflectance spectrophotometric system using a microchip flow cell].

Science.gov (United States)

Wang, Jian-ya; Fang, Zhao-lun

2002-02-01

A microchip flow cell was developed for flow injection renewable surface assay by reflectance spectrophotometry. The flow cell was coupled to a sequential injection system and optical fiber photometric detection system. The flow cell featured a three-layer structure. The flow channel was cut into a silicone rubber membrance which formed the middle layer, and a porous filter was inlayed across a widened section of the channel to trap microbeads introduced into the flow cell. The area of the detection window of the flow cell was approximately 3.6 mm2, the volume of the bead trapped in the flow cell was 2.2 microL, the depth of the bead layer was 600 microns. A multistrand bifurcated optical fiber was coupled with incident light, detector and flow cell. The chromogenic reaction of Cr(VI) with 1,5-diphenylcarbohydrazide (DPC) which was adsorbed on trapped Polysorb C-18 beads was used as a model reaction to optimize the flow cell design and the experimental system. The reflectance of the renewable reaction surface was monitored at 540 nm. With 100 microL sample loaded and 1.0 mL.min-1 carrier flow rate, the linear response range was 0-0.6 microgram.mL-1 Cr(VI). A detection limit (3 sigma) of 6 ng.mL-1, precision of 1.5% RSD(n = 11), and a throughput of 64 samples per hour were achieved. Considerations in system and flow cell design, the influence of depth of the bead layer, weight of beads used, and the flow rates of carrier stream on the performance were discussed.

Pore-scale studies of multiphase flow and reaction involving CO2 sequestration in geologic formations

Science.gov (United States)

Kang, Q.; Wang, M.; Lichtner, P. C.

2008-12-01

In geologic CO2 sequestration, pore-scale interfacial phenomena ultimately govern the key processes of fluid mobility, chemical transport, adsorption, and reaction. However, spatial heterogeneity at the pore scale cannot be resolved at the continuum scale, where averaging occurs over length scales much larger than typical pore sizes. Natural porous media, such as sedimentary rocks and other geological media encountered in subsurface formations, are inherently heterogeneous. This pore-scale heterogeneity can produce variabilities in flow, transport, and reaction processes that take place within a porous medium, and can result in spatial variations in fluid velocity, aqueous concentrations, and reaction rates. Consequently, the unresolved spatial heterogeneity at the pore scale may be important for reactive transport modeling at the larger scale. In addition, current continuum models of surface complexation reactions ignore a fundamental property of physical systems, namely conservation of charge. Therefore, to better understand multiphase flow and reaction involving CO2 sequestration in geologic formations, it is necessary to quantitatively investigate the influence of the pore-scale heterogeneity on the emergent behavior at the field scale. We have applied the lattice Boltzmann method to simulating the injection of CO2 saturated brine or supercritical CO2 into geological formations at the pore scale. Multiple pore-scale processes, including advection, diffusion, homogeneous reactions among multiple aqueous species, heterogeneous reactions between the aqueous solution and minerals, ion exchange and surface complexation, as well as changes in solid and pore geometry are all taken into account. The rich pore scale information will provide a basis for upscaling to the continuum scale.

Kinetics Analysis of Synthesis Reaction of Struvite With Air-Flow Continous Vertical Reactors

Science.gov (United States)

Edahwati, L.; Sutiyono, S.; Muryanto, S.; Jamari, J.; Bayuseno, dan A. P.

2018-01-01

Kinetics reaction is a knowledge about a rate of chemical reaction. The differential of the reaction rate can be determined from the reactant material or the formed material. The reaction mechanism of a reactor may include a stage of reaction occurring sequentially during the process of converting the reactants into products. In the determination of reaction kinetics, the order of reaction and the rate constant reaction must be recognized. This study was carried out using air as a stirrer as a medium in the vertical reactor for crystallization of struvite. Stirring is one of the important aspects in struvite crystallization process. Struvite crystals or magnesium ammonium phosphate hexahydrates (MgNH4PO4·6H2O) is commonly formed in reversible reactions and can be generated as an orthorhombic crystal. Air is selected as a stirrer on the existing flow pattern in the reactor determining the reaction kinetics of the crystal from the solution. The experimental study was conducted by mixing an equimolar solution of 0.03 M NH4OH, MgCl2 and H3PO4 with a ratio of 1: 1: 1. The crystallization process of the mixed solution was observed in an inside reactor at the flow rate ranges of 16-38 ml/min and the temperature of 30°C was selected in the study. The air inlet rate was kept constant at 0.25 liters/min. The pH solution was adjusted to be 8, 9 and 10 by dropping wisely of 1 N KOH solution. The crystallization kinetics was examined until the steady state of the reaction was reached. The precipitates were filtered and dried at a temperature for subsequent material characterization, including Scanning Electron Microscope (SEM) and XRD (X-Ray diffraction) method. The results show that higher flow rate leads to less mass of struvite.

Outcome of homogeneous and heterogeneous reactions in Darcy-Forchheimer flow with nonlinear thermal radiation and convective condition

Directory of Open Access Journals (Sweden)

T. Hayat

Full Text Available The present analysis aims to report the consequences of nonlinear radiation, convective condition and heterogeneous-homogeneous reactions in Darcy-Forchheimer flow over a non-linear stretching sheet with variable thickness. Non-uniform magnetic field and nonuniform heat generation/absorption are accounted. The governing boundary layer partial differential equations are converted into a system of nonlinear ordinary differential equations. The computations are organized and the effects of physical variables such as thickness parameter, power index, Hartman number, inertia and porous parameters, radiation parameter, Biot number, Prandtl number, ratio parameter, heat generation parameter and homogeneous-heterogeneous reaction parameter are investigated. The variations of skin friction coefficient and Nusselt number for different interesting variables are plotted and discussed. It is noticed that Biot number and heat generation variable lead to enhance the temperature distribution. The solutal boundary layer thickness decreases for larger homogeneous variable while reverse trend is seen for heterogeneous reaction. Keywords: Variable sheet thickness, Darcy-Forchheimer flow, Homogeneous-heterogeneous reactions, Power-law surface velocity, Convective condition, Heat generation/absorption, Nonlinear radiation

An investigation of the effect of pore scale flow on average geochemical reaction rates using direct numerical simulation

Energy Technology Data Exchange (ETDEWEB)

Molins, Sergi [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Division; Trebotich, David [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division; Steefel, Carl I. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Division; Shen, Chaopeng [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division

2012-03-30

The scale-dependence of geochemical reaction rates hinders their use in continuum scale models intended for the interpretation and prediction of chemical fate and transport in subsurface environments such as those considered for geologic sequestration of CO₂. Processes that take place at the pore scale, especially those involving mass transport limitations to reactive surfaces, may contribute to the discrepancy commonly observed between laboratory-determined and continuum-scale or field rates. In this study we investigate the dependence of mineral dissolution rates on the pore structure of the porous media by means of pore scale modeling of flow and multicomponent reactive transport. The pore scale model is composed of high-performance simulation tools and algorithms for incompressible flow and conservative transport combined with a general-purpose multicomponent geochemical reaction code. The model performs direct numerical simulation of reactive transport based on an operator-splitting approach to coupling transport and reactions. The approach is validated with a Poiseuille flow single-pore experiment and verified with an equivalent 1-D continuum-scale model of a capillary tube packed with calcite spheres. Using the case of calcite dissolution as an example, the high-resolution model is used to demonstrate that nonuniformity in the flow field at the pore scale has the effect of decreasing the overall reactivity of the system, even when systems with identical reactive surface area are considered. In conclusion, the effect becomes more pronounced as the heterogeneity of the reactive grain packing increases, particularly where the flow slows sufficiently such that the solution approaches equilibrium locally and the average rate becomes transport-limited.

Modeling of multiphase flow with solidification and chemical reaction in materials processing

Science.gov (United States)

Wei, Jiuan

Understanding of multiphase flow and related heat transfer and chemical reactions are the keys to increase the productivity and efficiency in industrial processes. The objective of this thesis is to utilize the computational approaches to investigate the multiphase flow and its application in the materials processes, especially in the following two areas: directional solidification, and pyrolysis and synthesis. In this thesis, numerical simulations will be performed for crystal growth of several III-V and II-VI compounds. The effects of Prandtl and Grashof numbers on the axial temperature profile, the solidification interface shape, and melt flow are investigated. For the material with high Prandtl and Grashof numbers, temperature field and growth interface will be significantly influenced by melt flow, resulting in the complicated temperature distribution and curved interface shape, so it will encounter tremendous difficulty using a traditional Bridgman growth system. A new design is proposed to reduce the melt convection. The geometric configuration of top cold and bottom hot in the melt will dramatically reduce the melt convection. The new design has been employed to simulate the melt flow and heat transfer in crystal growth with large Prandtl and Grashof numbers and the design parameters have been adjusted. Over 90% of commercial solar cells are made from silicon and directional solidification system is the one of the most important method to produce multi-crystalline silicon ingots due to its tolerance to feedstock impurities and lower manufacturing cost. A numerical model is developed to simulate the silicon ingot directional solidification process. Temperature distribution and solidification interface location are presented. Heat transfer and solidification analysis are performed to determine the energy efficiency of the silicon production furnace. Possible improvements are identified. The silicon growth process is controlled by adjusting heating power and

Thermodynamics of random reaction networks.

Science.gov (United States)

Fischer, Jakob; Kleidon, Axel; Dittrich, Peter

2015-01-01

Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha) and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.

Thin liquid films with time-dependent chemical reactions sheared by an ambient gas flow

Science.gov (United States)

Bender, Achim; Stephan, Peter; Gambaryan-Roisman, Tatiana

2017-08-01

Chemical reactions in thin liquid films are found in many industrial applications, e.g., in combustion chambers of internal combustion engines where a fuel film can develop on pistons or cylinder walls. The reactions within the film and the turbulent outer gas flow influence film stability and lead to film breakup, which in turn can lead to deposit formation. In this work we examine the evolution and stability of a thin liquid film in the presence of a first-order chemical reaction and under the influence of a turbulent gas flow. Long-wave theory with a double perturbation analysis is used to reduce the complexity of the problem and obtain an evolution equation for the film thickness. The chemical reaction is assumed to be slow compared to film evolution and the amount of reactant in the film is limited, which means that the reaction rate decreases with time as the reactant is consumed. A linear stability analysis is performed to identify the influence of reaction parameters, material properties, and environmental conditions on the film stability limits. Results indicate that exothermic reactions have a stabilizing effect whereas endothermic reactions destabilize the film and can lead to rupture. It is shown that an initially unstable film can become stable with time as the reaction rate decreases. The shearing of the film by the external gas flow leads to the appearance of traveling waves. The shear stress magnitude has a nonmonotonic influence on film stability.

Stochastic flows, reaction-diffusion processes, and morphogenesis

International Nuclear Information System (INIS)

Kozak, J.J.; Hatlee, M.D.; Musho, M.K.; Politowicz, P.A.; Walsh, C.A.

1983-01-01

Recently, an exact procedure has been introduced [C. A. Walsh and J. J. Kozak, Phys. Rev. Lett.. 47: 1500 (1981)] for calculating the expected walk length for a walker undergoing random displacements on a finite or infinite (periodic) d-dimensional lattice with traps (reactive sites). The method (which is based on a classification of the symmetry of the sites surrounding the central deep trap and a coding of the fate of the random walker as it encounters a site of given symmetry) is applied here to several problems in lattice statistics for each of which exact results are presented. First, we assess the importance of lattice geometry in influencing the efficiency of reaction-diffusion processs in simple and multiple trap systems by reporting values of for square (cubic) versus hexagonal lattices in d = 2,3. We then show how the method may be applied to variable-step (distance-dependent) walks for a single walker on a given lattice and also demonstrate the calculation of the expected walk length for the case of multiple walkers. Finally, we make contact with recent discussions of ''mixing'' by showing that the degree of chaos associated with flows in certain lattice-systems can be calibrated by monitoring the lattice walks induced by the Poincare map of a certain parabolic function

New sample carrier systems for thermogravimetric analysis under forced flow conditions and their influence on microkinetic results.

Science.gov (United States)

Seibel, C; Fieback, T M

2015-09-01

For thermogravimetric analysis, it has been shown that, depending on the type of sample container, different kinetic results could be obtained despite regarding the same reaction under constant conditions. This is due to limiting macrokinetic effects which are strongly dependant on the type of sample carrying system. This prompted the need for sample containers which deliver results minimally limited by diffusive mass transport. In this way, two container systems were developed, both characterized by a forced flow stream through a solid, porous bed: one from bottom to top (counter-current flow) and one from top to bottom (co-current flow). Optical test measurements were performed, the results indicating that reaction proceedings are almost fully independent of the geometrical shape of the sample containers. The Boudouard reaction was investigated with a standard crucible and the new developed systems; the reaction rates determined differed significantly, up to a factor of 6.2 at 1373 K.

Flow-injection determination of total organic fluorine with off-line defluorination reaction on a solid sorbent bed.

Science.gov (United States)

Musijowski, Jacek; Trojanowicz, Marek; Szostek, Bogdan; da Costa Lima, José Luis Fontes; Lapa, Rui; Yamashita, Hiroki; Takayanagi, Toshio; Motomizu, Shoji

2007-09-26

Considering recent reports on widespread occurrence and concerns about perfluoroalkyl substances (PFAS) in environmental and biological systems, analysis of these compounds have gained much attention in recent years. Majority of analyte-specific methods are based on a LC/MS/MS or a GC/MS detection, however many environmental or biological studies would benefit from a total organic fluorine (TOF) determination. Presented work was aimed at developing a method for TOF determination. TOF is determined as an amount of inorganic fluoride obtained after defluorination reaction conducted off-line using sodium biphenyl reagent directly on the sorbent without elution of retained analytes. Recovered fluoride was analyzed using flow-injection system with either fluorimetric or potentiometric detection. The TOF method was tested using perfluorocarboxylic acids (PFCA), including perfluorooctanoic acid (PFOA), as model compounds. Considering low concentrations of PFAS in natural samples, solid-phase extraction as a preconcentration procedure was evaluated. Several carbon-based sorbents were tested, namely multi-wall carbon nanotubes, carbon nanofibres and activated carbon. Good sorption of all analytes was achieved and defluorination reaction was possible to carry out directly on a sorbent bed. Recoveries obtained for PFCAs, adsorbed on an activated carbon sorbent, and measured as TOF, were 99.5+/-1.7, 110+/-9.4, 95+/-26, 120+/-32, 110+/-12 for C4, C6, C8, C10 and C12-PFCA, respectively. Two flow systems that would enable the defluorination reaction and fluoride determination in a single system were designed and tested.

A Finite Strain Model of Stress, Diffusion, Plastic Flow and Electrochemical Reactions in a Lithium-ion Half-cell

OpenAIRE

Bower, Allan F.; Guduru, Pradeep R.; Sethuraman, Vijay A.

2011-01-01

We formulate the continuum field equations and constitutive equations that govern deformation, stress, and electric current flow in a Li-ion half-cell. The model considers mass transport through the system, deformation and stress in the anode and cathode, electrostatic fields, as well as the electrochemical reactions at the electrode/electrolyte interfaces. It extends existing analyses by accounting for the effects of finite strains and plastic flow in the electrodes, and by exploring in deta...

Thermodynamics of random reaction networks.

Directory of Open Access Journals (Sweden)

Jakob Fischer

Full Text Available Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.

A miniature CSTR cascade for continuous flow of reactions containing solids

OpenAIRE

Mo, Yiming; Jensen, Klavs F

2016-01-01

Continuous handling of solids creates challenges for realizing continuous production of pharmaceuticals and fine chemicals. We present a new miniature continuous stirred-tank reactor (CSTR) cascade to handle solid-forming reactions in flow. Single-phase residence time distribution (RTD) measurements of the CSTR cascade reveal nearly ideal CSTR mixing behavior of the individual units. Consistency of experimental and predicted conversions of a Diels–Alder reaction further confirms the CSTR perf...

On Cattaneo–Christov heat flux in MHD flow of Oldroyd-B fluid with homogeneous–heterogeneous reactions

International Nuclear Information System (INIS)

Hayat, Tasawar; Imtiaz, Maria; Alsaedi, Ahmed; Almezal, Saleh

2016-01-01

This paper investigates the steady two-dimensional magnetohydrodynamic (MHD) flow of an Oldroyd-B fluid over a stretching surface with homogeneous–heterogeneous reactions. Characteristics of relaxation time for heat flux are captured by employing new heat flux model proposed by Christov. A system of ordinary differential equations is obtained by using suitable transformations. Convergent series solutions are derived. Impacts of various pertinent parameters on the velocity, temperature and concentration are discussed. Analysis of the obtained results shows that fluid relaxation and retardation time constants have reverse behavior on the velocity and concentration fields. Also temperature distribution decreases for larger values of thermal relaxation time. - Highlights: • Cattaneo–Christov heat flux model is used to study the MHD flow of an Oldroyd-B fluid. • Velocity is decreasing function of Hartman number. • Increasing values of the strengths of homogeneous and heterogeneous reaction parameters decrease the wall concentration.

Preliminary assessment of the Velocity Pump Reaction Turbine as a geothermal total-flow expander

Energy Technology Data Exchange (ETDEWEB)

Demuth, O.J.

1985-01-01

A preliminary evaluation was made of the Velocity Pump Reaction Turbine (VPRT) as a total flow expander in a geothermal-electric conversion cycle. Values of geofluid effectiveness of VPRT systems were estimated for conditions consisting of: a 360/sup 0/F geothermal resource, 60/sup 0/F wet-bulb ambient temperature, zero and 0.003 mass concentrations of dissolved noncondensible gas in the geofluid, 100 and 120/sup 0/F condensing temperature, and engine efficiencies ranging from 0.4 to 1.0. Achievable engine efficiencies were estimated to range from 0.47 to 0.77, with plant geofluid effectivenss values ranging as high as 9.5 Watt hr/lbm geofluid. This value is competitive with magnitudes of geofluid effectiveness projected for advanced binary plants, and is on the order of 40% higher than estimates for dual-flash steam systems and other total flow systems reviewed. Because of its potentially high performance and relative simplicity, the VPRT system appears to warrant further investigation toward its use in a well-head geothermal plant. 13 refs., 5 figs.

The reaction environment in a filter-press laboratory reactor: the FM01-LC flow cell

International Nuclear Information System (INIS)

Rivera, Fernando F.; León, Carlos Ponce de; Walsh, Frank C.; Nava, José L.

2015-01-01

A parallel plate cell facilitating controlled flow in a rectangular channel and capable of incorporating a wide range of electrode materials is important in studies of electrode reactions prior to process development and scale-up. The FM01-LC, a versatile laboratory-scale, plane parallel filter-press type electrochemical cell (having a projected electrode area of 64 cm 2 ) which is based on the larger FM21-SP electrolyser (2100 cm 2 area). Many laboratories have used this type of reactor to quantify the importance of reaction environment in fundamental studies and to prepare for industrial applications. A number of papers have concerned the experimental characterization and computational modelling of its reaction environment but the experimental and computational data has become dispersed. The cell has been used in a diverse range of synthesis and processing applications which require controlled flow and known reaction environment. In a previous review, the cell construction and reaction environment was summarised followed by the illustration of its use for a range of applications that include organic and inorganic electrosynthesis, metal ion removal, energy storage, environmental remediation (e.g., metal recycling or anodic destruction of organics) and drinking water treatment. This complementary review considers the characteristics of the FM01-LC electrolyser as an example of a well-engineered flow cell facilitating cell scale-up and provides a rigorous analysis of its reaction environment. Particular aspects include the influence of electrolyte velocity on mass transport rates, flow dispersion and current distribution

Melting Heat in Radiative Flow of Carbon Nanotubes with Homogeneous-Heterogeneous Reactions

Science.gov (United States)

Hayat, Tasawar; Muhammad, Khursheed; Muhammad, Taseer; Alsaedi, Ahmed

2018-04-01

The present article provides mathematical modeling for melting heat and thermal radiation in stagnation-point flow of carbon nanotubes towards a nonlinear stretchable surface of variable thickness. The process of homogeneous-heterogeneous reactions is considered. Diffusion coefficients are considered equal for both reactant and autocatalyst. Water and gasoline oil are taken as base fluids. The conversion of partial differential system to ordinary differential system is done by suitable transformations. Optimal homotopy technique is employed for the solutions development of velocity, temperature, concentration, skin friction and local Nusselt number. Graphical results for various values of pertinent parameters are displayed and discussed. Our results indicate that the skin friction coefficient and local Nusselt number are enhanced for larger values of nanoparticles volume fraction.

Using Multiscale Modeling to Study Coupled Flow, Transport, Reaction and Biofilm Growth Processes in Porous Media

Science.gov (United States)

Valocchi, A. J.; Laleian, A.; Werth, C. J.

2017-12-01

Perturbation of natural subsurface systems by fluid inputs may induce geochemical or microbiological reactions that change porosity and permeability, leading to complex coupled feedbacks between reaction and transport processes. Some examples are precipitation/dissolution processes associated with carbon capture and storage and biofilm growth associated with contaminant transport and remediation. We study biofilm growth due to mixing controlled reaction of multiple substrates. As biofilms grow, pore clogging occurs which alters pore-scale flow paths thus changing the mixing and reaction. These interactions are challenging to quantify using conventional continuum-scale porosity-permeability relations. Pore-scale models can accurately resolve coupled reaction, biofilm growth and transport processes, but modeling at this scale is not feasible for practical applications. There are two approaches to address this challenge. Results from pore-scale models in generic pore structures can be used to develop empirical relations between porosity and continuum-scale parameters, such as permeability and dispersion coefficients. The other approach is to develop a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled by a suitable method that ensures continuity of flux across the interface. Thus, regions of high reactivity where flow alteration occurs are resolved at the pore scale for accuracy while regions of low reactivity are resolved at the continuum scale for efficiency. This approach thus avoids the need for empirical upscaling relations in regions with strong feedbacks between reaction and porosity change. We explore and compare these approaches for several two-dimensional cases.

Darcy-Forchheimer flow with Cattaneo-Christov heat flux and homogeneous-heterogeneous reactions.

Science.gov (United States)

Hayat, Tasawar; Haider, Farwa; Muhammad, Taseer; Alsaedi, Ahmed

2017-01-01

Here Darcy-Forchheimer flow of viscoelastic fluids has been analyzed in the presence of Cattaneo-Christov heat flux and homogeneous-heterogeneous reactions. Results for two viscoelastic fluids are obtained and compared. A linear stretching surface has been used to generate the flow. Flow in porous media is characterized by considering the Darcy-Forchheimer model. Modified version of Fourier's law through Cattaneo-Christov heat flux is employed. Equal diffusion coefficients are employed for both reactants and auto catalyst. Optimal homotopy scheme is employed for solutions development of nonlinear problems. Solutions expressions of velocity, temperature and concentration fields are provided. Skin friction coefficient and heat transfer rate are computed and analyzed. Here the temperature and thermal boundary layer thickness are lower for Cattaneo-Christov heat flux model in comparison to classical Fourier's law of heat conduction. Moreover, the homogeneous and heterogeneous reactions parameters have opposite behaviors for concentration field.

Summary of [alpha]-FLOW, a general purpose three-dimensional fluid analyzing system. Han[prime]yo sanjigen ryutai kaiseki system [alpha]-FLOW no gaiyo

Energy Technology Data Exchange (ETDEWEB)

Koike, H [Fuji Research Institute Corporation, Tokyo (Japan)

1992-08-01

The [alpha]-FLOW is a three-dimensional fluid analyzing software developed from cooperations among research institutes of private business companies and universities in Japan under the assistance from the Ministry of International Trade and Industry. This paper describes its summary and features. The system is a discrete system utilizing a supercomputer and a work station. The analysis modules incorporated in the system include those for non-compressive fluid analysis, compressive fluid analysis, analysis of non-compressive fluid including free surface, analysis of flows including combustion and chemical reactions, substance migration analysis, and heat transfer analysis. It has a feature that even non-specialists can analyze fluids easily as a result of the development of an expert system to support the numerical analysis. Development of the input data preparing system enables to utilize the work station to process from shape modeling to grid generation, and from inputting analyzing condition data to calculating the flows and outputting the calculation result, all in dialogue modes. An open architecture was adopted. 27 refs., 7 figs., 10 tabs.

A multistep continuous-flow system for rapid on-demand synthesis of receptor ligands

DEFF Research Database (Denmark)

Petersen, Trine P; Ritzén, Andreas; Ulven, Trond

2009-01-01

A multistep continuous-flow system for synthesis of receptor ligands by assembly of three variable building blocks in a single unbroken flow is described. The sequence consists of three reactions and two scavenger steps, where a Cbz-protected diamine is reacted with an isocyanate, deprotected, an......, and reacted further with an alkylating agent....

Investigation of Multiscale and Multiphase Flow, Transport and Reaction in Heavy Oil Recovery Processes

Energy Technology Data Exchange (ETDEWEB)

Yorstos, Yannis C.

2003-03-19

The report describes progress made in the various thrust areas of the project, which include internal drives for oil recovery, vapor-liquid flows, combustion and reaction processes and the flow of fluids with yield stress.

Flow Injection/Sequential Injection Analysis Systems: Potential Use as Tools for Rapid Liver Diseases Biomarker Study

Directory of Open Access Journals (Sweden)

Supaporn Kradtap Hartwell

2012-01-01

Full Text Available Flow injection/sequential injection analysis (FIA/SIA systems are suitable for carrying out automatic wet chemical/biochemical reactions with reduced volume and time consumption. Various parts of the system such as pump, valve, and reactor may be built or adapted from available materials. Therefore the systems can be at lower cost as compared to other instrumentation-based analysis systems. Their applications for determination of biomarkers for liver diseases have been demonstrated in various formats of operation but only a few and limited types of biomarkers have been used as model analytes. This paper summarizes these applications for different types of reactions as a guide for using flow-based systems in more biomarker and/or multibiomarker studies.

A simple recipe for modeling reaction-rate in flows with turbulent-combustion

Science.gov (United States)

Girimaji, Sharath S.

1991-01-01

A computationally viable scheme to account for chemical reaction in turbulent flows is presented. The multivariate beta-pdf model for multiple scalar mixing forms the basis of this scheme. Using the model scalar joint pdf and a general form of the instantaneous reaction-rate, the unclosed chemical reaction terms are expressed as simple functions of scalar means and the turbulent scalar energy. The calculation procedure requires that the mean scalar equations and only one other transport equation - for the turbulent scalar energy - be solved.

Aldolase catalyzed L-phenylserine synthesis in a slug-flow microfluidic system - Performance and diastereoselectivity studies

NARCIS (Netherlands)

Čech, J.; Hessel, V.; Přibyl, M.

2017-01-01

We study synthesis of . L-phenylserine catalyzed by the enzyme . L-threonine aldolase in a slug-flow microfluidic system. Slug-flow arrangement allows for the continuous refilling of sparingly soluble substrate (benzaldehyde) into an aqueous reaction mixture. We identified suitable composition of an

PROBABILISTIC FLOW DISTRIBUTION AS A REACTION TO THE STOCHASTICITY OF THE LOAD IN THE POWER SYSTEM

Directory of Open Access Journals (Sweden)

A. M. Hashimov

2016-01-01

Full Text Available For the analysis and control of power systems deterministic approaches that are implemented in the form of well-known methods and models of calculation of steady-state and transient modes are mostly use in current practice. With the use of these methods it is possible to obtain solutions only for fixed circuit parameters of the system scheme and assuming that active and reactive powers as well as generation in nodal points of the network remain the same. In reality the stochastic character of power consumption cause the casual fluctuations of voltages at the nodes and power flows in electric power lines of the power system. Such casual fluctuations of operation can be estimated with the use of probabilistic simulation of the power flows. In the article the results of research of the influence of depth of casual fluctuations of the load power of the system on the probability distribution of voltage at nodes as well as on the flows of active and reactive power in the lines are presented. Probabilistic modeling of flow under stochastic load change is performed for different levels of fluctuations and under loading of the mode of the system up to peak load power. Test study to quantify the effect of stochastic variability of loads on the probabilistic distribution parameters of the modes was carried out on behalf of the electrical network of the real power system. The results of the simulation of the probability flow distribution for these fluctuations of the load, represented in the form of discrete sample values of the active power obtained with the use of the analytical Monte-Carlo method, and real data measurements of their values in the network under examination were compared.

A microcatalytic flow reactor for the study of heterogeneous catalytic reactions at elevated pressures

Energy Technology Data Exchange (ETDEWEB)

Belyi, A S; Fomichev, Yu V; Duplyakin, V K; Alfeev, V S

1977-07-01

A microcatalytic flow reactor for the study of heterogeneous catalytic reactions at elevated pressures (i.e., up to 40 atm) and nearly isothermal conditions up to 600/sup 0/C was designed for the conversion of small quantities of petrochemical feeds or feed mixtures at uniform, controllable flow rates of 0.5-5.0 cc/hr, for direct gas-chromatographic analysis of product samples at the reactor outlet, and for continuous monitoring of the degree of conversion in processes that evolve or absorb hydrogen. The device includes a feed injection system with a unique sealing feature that ensures a constant flow of liquid from a feed buret under positive displacement by a counterweight piston at very low rates into a tubular reactor of the perfect mixing type, a highly efficient vaporizer-mixer, and a two-channel sampler leading to the chromatograph. The apparatus has proved reliable, accurate, and convenient in two years of regular use. Diagrams.

Boundary layer-shock interaction in hypersonic flows with chemical reaction effects

International Nuclear Information System (INIS)

Mirzaei, M.; Shadaram, A.; Jahantigh, N.

2003-01-01

In this paper, viscous interaction phenomenon in hypersonic flows with chemical reactions is numerically simulated. Two-dimensional Navier-Stokes equations are solved to simulate this phenomenon. Inviscid fluxes are approximated using Van Leer flux vector splitting method and to increase the accuracy of this approximation, MUSCL approach with Van albada limiters is applied. Chemical reactions are considered to be in equilibrium conditions. With this assumption there is no closed form for equation of state for the gas (air) and relation between thermodynamic properties are calculated from thermodynamic tables. In addition, transport properties (viscosity and conductivity) are functions of two independent thermodynamic properties. These functions are calculated using kinetic theory. To evaluate the performance of the model used in this research, some test cases are studied. First test case is flow over a ramp with various angles. The results of this test case are compared with the results of other numerical methods and the effect of geometry on separation length is studied. The second case is a hypersonic flow over a 15-degree ramp. The results are in good agreement compared with experimental data. In addition, there results are compared with the results of ideal gas (non-reacting flow) calculations. It can be seen that ideal gas assumption for air introduces considerable deviation form experimental data. (author)

Emergent structures in reaction-advection-diffusion systems on a sphere

Science.gov (United States)

Krause, Andrew L.; Burton, Abigail M.; Fadai, Nabil T.; Van Gorder, Robert A.

2018-04-01

We demonstrate unusual effects due to the addition of advection into a two-species reaction-diffusion system on the sphere. We find that advection introduces emergent behavior due to an interplay of the traditional Turing patterning mechanisms with the compact geometry of the sphere. Unidirectional advection within the Turing space of the reaction-diffusion system causes patterns to be generated at one point of the sphere, and transported to the antipodal point where they are destroyed. We illustrate these effects numerically and deduce conditions for Turing instabilities on local projections to understand the mechanisms behind these behaviors. We compare this behavior to planar advection which is shown to only transport patterns across the domain. Analogous transport results seem to hold for the sphere under azimuthal transport or away from the antipodal points in unidirectional flow regimes.

Supported liquid phase catalyst coating in micro flow Mizoroki-Heck reaction

NARCIS (Netherlands)

Stouten, S.C.; Noël, T.; Wang, Q.; Hessel, V.

2015-01-01

A Supported Liquid Phase Catalyst (SLPC) coating was successfully applied for the Mizoroki–Heck reaction in micro flow. Foremost, extended on stream operation was enabled and the on stream performance stability was verified. Stable catalytic activity was achieved during two consecutive runs totaling

Experimental and numerical analysis of the combustor for a cogeneration system based on the aluminum/water reaction

International Nuclear Information System (INIS)

Milani, Massimo; Montorsi, Luca; Paltrinieri, Fabrizio; Stefani, Matteo

2014-01-01

Highlights: • Aluminum reaction with water is studied as a technology for hydrogen production. • A test rig is developed for the analysis of aluminum/water reaction. • The system is the core component of a cogeneration plant for hydrogen/power production. • The interaction of liquid aluminum jet and water steam stream is investigated. • The main capabilities of the injection system are assessed. - Abstract: The paper focuses on the design of the experimental apparatus aimed at analyzing the performance of the combustion chamber of a cogeneration system based on the reaction of liquid aluminum and water steam. The cogeneration system exploits the heat released by the oxidation of aluminum with water for super-heating the vapor of a steam cycle and simultaneously producing hydrogen. The only by-product is alumina, which in a closed loop can be recycled back and transformed again into aluminum. Therefore, aluminum is used as an energy carrier to transport the energy from the alumina reduction plant to the location of the proposed system. The water is also used in a closed loop since the amount of water produced employing the hydrogen obtained by the proposed system corresponds to the oxidizing water for the Al/H 2 O reaction. This study investigates the combustor where the liquid aluminum–steam reaction takes place. In particular, the design of the combustion chamber and the interaction between the liquid aluminum jet and the water steam flow are evaluated using a numerical and an experimental approach. The test rig is specifically designed for the analysis of the liquid aluminum injection in a slightly super-heated steam stream. The first experiments are carried out to verify the correct behavior of the test rig. Thermography is employed to qualitatively assess the steam entrainment of the liquid aluminum jet. Finally, the experimental measurements are compared with the multi-dimension multi-phase flow simulations in order to estimate the influence of

Coupled equations for transient water flow, heat flow, and ...

Indian Academy of Sciences (India)

interacting processes, including flow of fluids, deformation of porous materials, chemical reactions, and transport of ... systems involving the flow of water, heat, and deformation. Such systems are ..... Defined thus, αI is independent of boundary con- ditions in an ... perature change with free deformation at constant total stress ...

Analysis of diffusivity of the oscillating reaction components in a microreactor system

Directory of Open Access Journals (Sweden)

Martina Šafranko

2017-01-01

Full Text Available When performing oscillating reactions, periodical changes in the concentrations of reactants, intermediaries, and products take place. Due to the mentioned periodical changes of the concentrations, the information about the diffusivity of the components included into oscillating reactions is very important for the control of the oscillating reactions. Non-linear dynamics makes oscillating reactions very interesting for analysis in different reactor systems. In this paper, the analysis of diffusivity of the oscillating reaction components was performed in a microreactor, with the aim of identifying the limiting component. The geometry of the microreactor microchannel and a well defined flow profile ensure optimal conditions for the diffusion phenomena analysis, because diffusion profiles in a microreactor depend only on the residence time. In this paper, the analysis of diffusivity of the oscillating reaction components was performed in a microreactor equipped with 2 Y-shape inlets and 2 Y-shape outlets, with active volume of V = 4 μL at different residence times.

Continuous Flow Science in an Undergraduate Teaching Laboratory: Photocatalytic Thiol-Ene Reaction Using Visible Light

Science.gov (United States)

Santandrea, Jeffrey; Kairouz, Vanessa; Collins, Shawn K.

2018-01-01

An undergraduate teaching laboratory experiment involving a continuous flow, photocatalytic thiol-ene reaction using visible-light irradiation is described that allows students to explore concepts of green chemistry, photochemistry, photocatalysis, and continuous flow chemistry.

High-temperature epoxidation of soybean oil in flow : speeding up elemental reactions wanted and unwanted

NARCIS (Netherlands)

Cortese, B.; Croon, de M.H.J.M.; Hessel, V.

2012-01-01

The soybean oil epoxidation reaction is investigated theoretically through kinetic modeling of temperature effects enabled through flow processing under superheated conditions. Different from previous studies on such processing, here a complex reaction network superimposed by multiphase transport is

Flows, scaling, and the control of moment hierarchies for stochastic chemical reaction networks

Science.gov (United States)

Smith, Eric; Krishnamurthy, Supriya

2017-12-01

Stochastic chemical reaction networks (CRNs) are complex systems that combine the features of concurrent transformation of multiple variables in each elementary reaction event and nonlinear relations between states and their rates of change. Most general results concerning CRNs are limited to restricted cases where a topological characteristic known as deficiency takes a value 0 or 1, implying uniqueness and positivity of steady states and surprising, low-information forms for their associated probability distributions. Here we derive equations of motion for fluctuation moments at all orders for stochastic CRNs at general deficiency. We show, for the standard base case of proportional sampling without replacement (which underlies the mass-action rate law), that the generator of the stochastic process acts on the hierarchy of factorial moments with a finite representation. Whereas simulation of high-order moments for many-particle systems is costly, this representation reduces the solution of moment hierarchies to a complexity comparable to solving a heat equation. At steady states, moment hierarchies for finite CRNs interpolate between low-order and high-order scaling regimes, which may be approximated separately by distributions similar to those for deficiency-zero networks and connected through matched asymptotic expansions. In CRNs with multiple stable or metastable steady states, boundedness of high-order moments provides the starting condition for recursive solution downward to low-order moments, reversing the order usually used to solve moment hierarchies. A basis for a subset of network flows defined by having the same mean-regressing property as the flows in deficiency-zero networks gives the leading contribution to low-order moments in CRNs at general deficiency, in a 1 /n expansion in large particle numbers. Our results give a physical picture of the different informational roles of mean-regressing and non-mean-regressing flows and clarify the dynamical

Predicting the diagenetic evolution of argillite repositories: application of flow-through reaction cells

International Nuclear Information System (INIS)

Warr, L.; Clatter, N.; Liewig, N.

2005-01-01

In order to successfully predict the diagenetic evolution of argillite repositories we need to know i) which reactions occur under a defined set of conditions, ii) how these reactions modify the material properties of the argillite seal, and iii) how fast these chemical reactions take place. Based on the application of thermodynamics, and the construction of activity diagrams for low temperature mineral phases (e.g. Velde 1992), fair predictions of mineral stability can be made under a given set of physical and chemical conditions. Such predictions are strengthened by examining natural mineral reactions preserved in the geological record, in combination with results obtained from controlled laboratory experiments. Changes in the material behavior can also be reasonably assessed, as the basic physical and chemical properties of argillaceous rocks of varying mineralogy are well documented in the petrophysical and engineering literature (e.g. Bell, 1999). Probably the most difficult task, however, is to assess the rates of the chemical reactions involved. This difficulty reflects our poor knowledge of the reaction kinetics for these low-temperature, fine-grained mineral materials, and apparent differences between rates estimated from natural and experimental systems. A new approach to monitoring the reaction kinetics of fine-grained minerals in percolating solution has been developed using flow-through reaction (wet-cell) chambers. These devices can be routinely mounted onto the X-ray diffractometer for in-situ measurements of the sample. With the aid of a cap to maintain constant volume, the device can be subjected to diagenetic or hydrothermal conditions (<150 C). First results are here presented for the alteration of Callovo-Oxfordian shales in a reactive simple young fluid (strongly alkaline, pH ca. 13) at 90 C, designed to simulate the alteration of concrete at the repository site. (authors)

Mode-locking in advection-reaction-diffusion systems: An invariant manifold perspective

Science.gov (United States)

Locke, Rory A.; Mahoney, John R.; Mitchell, Kevin A.

2018-01-01

Fronts propagating in two-dimensional advection-reaction-diffusion systems exhibit a rich topological structure. When the underlying fluid flow is periodic in space and time, the reaction front can lock to the driving frequency. We explain this mode-locking phenomenon using the so-called burning invariant manifolds (BIMs). In fact, the mode-locked profile is delineated by a BIM attached to a relative periodic orbit (RPO) of the front element dynamics. Changes in the type (and loss) of mode-locking can be understood in terms of local and global bifurcations of the RPOs and their BIMs. We illustrate these concepts numerically using a chain of alternating vortices in a channel geometry.

Coding the Assembly of Polyoxotungstates with a Programmable Reaction System.

Science.gov (United States)

Ruiz de la Oliva, Andreu; Sans, Victor; Miras, Haralampos N; Long, De-Liang; Cronin, Leroy

2017-05-01

Chemical transformations are normally conducted in batch or flow mode, thereby allowing the chemistry to be temporally or spatially controlled, but these approaches are not normally combined dynamically. However, the investigation of the underlying chemistry masked by the self-assembly processes that often occur in one-pot reactions and exploitation of the potential of complex chemical systems requires control in both time and space. Additionally, maintaining the intermediate constituents of a self-assembled system "off equilibrium" and utilizing them dynamically at specific time intervals provide access to building blocks that cannot coexist under one-pot conditions and ultimately to the formation of new clusters. Herein, we implement the concept of a programmable networked reaction system, allowing us to connect discrete "one-pot" reactions that produce the building block{W 11 O 38 } ≡ {W 11 } under different conditions and control, in real time, the assembly of a series of polyoxometalate clusters {W 12 O 42 } ≡ {W 12 }, {W 22 O 74 } ≡ {W 22 } 1a, {W 34 O 116 } ≡ {W 34 } 2a, and {W 36 O 120 } ≡ {W 36 } 3a, using pH and ultraviolet-visible monitoring. The programmable networked reaction system reveals that is possible to assemble a range of different clusters using {W 11 }-based building blocks, demonstrating the relationship between the clusters within the family of iso-polyoxotungstates, with the final structural motif being entirely dependent on the building block libraries generated in each separate reaction space within the network. In total, this approach led to the isolation of five distinct inorganic clusters using a "fixed" set of reagents and using a fully automated sequence code, rather than five entirely different reaction protocols. As such, this approach allows us to discover, record, and implement complex one-pot reaction syntheses in a more general way, increasing the yield and reproducibility and potentially giving access to

Using water chemistry, isotopes and microbiology to evaluate groundwater sources, flow paths and geochemical reactions in the Death Valley flow system, USA

Energy Technology Data Exchange (ETDEWEB)

Thomas, James M.; Hershey, Ronald L. [Desert Research Institute, 2215 Raggio Pwky, Reno, NV, USA 89512 (United States); Moser, Duane P.; Fisher, Jenny C.; Reihle, Jessica; Wheatley, Alexandra [Desert Research Institute, 755 E. Flamingo Rd, Las Vegas, NV, USA 89130 (United States); Baldino, Cristi; Weissenfluh, Darrick [US Fish and Wildlife Service, Ash Meadows NWR, Amargosa Valley, NV, USA 89020 (United States)

2013-07-01

Springs of Ash Meadows and Furnace Creek (near or in Death Valley, CA) have nearly constant flow, temperature, chemistry, and similar δ{sup 2}H and δ{sup 18}O signatures. These factors indicate shared water sources and/or analogous geochemical reactions along similar flow paths. DNA-based (16S rRNA gene) microbial diversity assessments further illuminate these relationships. Whereas, all Ash Meadows springs share related archaea populations, variations in carbon-14 (Crystal Spring) and strontium isotopes, Na{sup +}, SO{sub 4}{sup 2-}, and methane concentrations (Big Spring), correspond with microbial differences within and between the two discharge areas. Similar geochemical signatures linking Ash Meadows and Furnace Creek springs appear to support a distinct end member at Big Spring in Ash Meadows, which is also supported by coincident enrichment in microbial methanogens and methanotrophs. Conversely, DNA libraries from a deep carbonate well (878 m) located between Ash Meadows and Furnace Creek (BLM-1), indicate no shared microbial diversity between Ash Meadows or Furnace Creek springs. (authors)

CFD Modeling of Flow and Ion Exchange Kinetics in a Rotating Bed Reactor System

DEFF Research Database (Denmark)

Larsson, Hilde Kristina; Schjøtt Andersen, Patrick Alexander; Byström, Emil

2017-01-01

A rotating bed reactor (RBR) has been modeled using computational fluid dynamics (CFD). The flow pattern in the RBR was investigated and the flow through the porous material in it was quantified. A simplified geometry representing the more complex RBR geometry was introduced and the simplified...... model was able to reproduce the main characteristics of the flow. Alternating reactor shapes were investigated, and it was concluded that the use of baffles has a very large impact on the flows through the porous material. The simulations suggested, therefore, that even faster reaction rates could...... be achieved by making the baffles deeper. Two-phase simulations were performed, which managed to reproduce the deflection of the gas–liquid interface in an unbaffled system. A chemical reaction was implemented in the model, describing the ion-exchange phenomena in the porous material using four different...

Simulations of pattern dynamics for reaction-diffusion systems via SIMULINK.

Science.gov (United States)

Wang, Kaier; Steyn-Ross, Moira L; Steyn-Ross, D Alistair; Wilson, Marcus T; Sleigh, Jamie W; Shiraishi, Yoichi

2014-04-11

Investigation of the nonlinear pattern dynamics of a reaction-diffusion system almost always requires numerical solution of the system's set of defining differential equations. Traditionally, this would be done by selecting an appropriate differential equation solver from a library of such solvers, then writing computer codes (in a programming language such as C or Matlab) to access the selected solver and display the integrated results as a function of space and time. This "code-based" approach is flexible and powerful, but requires a certain level of programming sophistication. A modern alternative is to use a graphical programming interface such as Simulink to construct a data-flow diagram by assembling and linking appropriate code blocks drawn from a library. The result is a visual representation of the inter-relationships between the state variables whose output can be made completely equivalent to the code-based solution. As a tutorial introduction, we first demonstrate application of the Simulink data-flow technique to the classical van der Pol nonlinear oscillator, and compare Matlab and Simulink coding approaches to solving the van der Pol ordinary differential equations. We then show how to introduce space (in one and two dimensions) by solving numerically the partial differential equations for two different reaction-diffusion systems: the well-known Brusselator chemical reactor, and a continuum model for a two-dimensional sheet of human cortex whose neurons are linked by both chemical and electrical (diffusive) synapses. We compare the relative performances of the Matlab and Simulink implementations. The pattern simulations by Simulink are in good agreement with theoretical predictions. Compared with traditional coding approaches, the Simulink block-diagram paradigm reduces the time and programming burden required to implement a solution for reaction-diffusion systems of equations. Construction of the block-diagram does not require high-level programming

Microhollow cathode discharge stability with flow and reaction

International Nuclear Information System (INIS)

Hsu, David D; Graves, David B

2003-01-01

Under certain conditions, microhollow cathode (MHC) discharges display self-pulsing, with relaxation oscillations in voltage (V d ) and current (I d ). An equivalent circuit model of the discharge and circuit demonstrates that relaxation oscillations occur only if the load line crosses the discharge characteristic in the region of negative differential resistivity R d ≡ ∂V d /∂I d . The pulsing and steady-state current regimes could have implications on the use of the discharges as reactors. We present measurements and model results in a study of high pressure MHC discharges as flow reactors in the steady-state current regime. Flow of molecular gases through the intense discharge induces chemical modifications such as molecular decomposition. The MHC behaves approximately as a plug flow reactor with reactant conversion depending primarily on residence time in the plasma. Measured peak gas temperatures in the plasma of the order of 1000-2000 K suggest that endothermic reaction conversion should be thermodynamically favoured. Comparisons to literature values of thermal decomposition kinetics indicate that the MHC plasma has the decomposition activity of gas at 2000-3000 K. High gas temperatures and molecular dissociation induce a significant pressure drop through the plasma. A model calculation for flow through a cylindrical tube containing an intense plasma demonstrates that the increase of pressure drop across the plasma zone is due to the increase in gas mass-averaged velocity as a result of lower mass density associated with the temperature increase and creation of molecular fragments

A kinetic-theory approach for computing chemical-reaction rates in upper-atmosphere hypersonic flows.

Science.gov (United States)

Gallis, Michael A; Bond, Ryan B; Torczynski, John R

2009-09-28

Recently proposed molecular-level chemistry models that predict equilibrium and nonequilibrium reaction rates using only kinetic theory and fundamental molecular properties (i.e., no macroscopic reaction-rate information) are investigated for chemical reactions occurring in upper-atmosphere hypersonic flows. The new models are in good agreement with the measured Arrhenius rates for near-equilibrium conditions and with both measured rates and other theoretical models for far-from-equilibrium conditions. Additionally, the new models are applied to representative combustion and ionization reactions and are in good agreement with available measurements and theoretical models. Thus, molecular-level chemistry modeling provides an accurate method for predicting equilibrium and nonequilibrium chemical-reaction rates in gases.

Gas Flow Detection System

Science.gov (United States)

Moss, Thomas; Ihlefeld, Curtis; Slack, Barry

2010-01-01

This system provides a portable means to detect gas flow through a thin-walled tube without breaking into the tubing system. The flow detection system was specifically designed to detect flow through two parallel branches of a manifold with only one inlet and outlet, and is a means for verifying a space shuttle program requirement that saves time and reduces the risk of flight hardware damage compared to the current means of requirement verification. The prototype Purge Vent and Drain Window Cavity Conditioning System (PVD WCCS) Flow Detection System consists of a heater and a temperature-sensing thermistor attached to a piece of Velcro to be attached to each branch of a WCCS manifold for the duration of the requirement verification test. The heaters and thermistors are connected to a shielded cable and then to an electronics enclosure, which contains the power supplies, relays, and circuit board to provide power, signal conditioning, and control. The electronics enclosure is then connected to a commercial data acquisition box to provide analog to digital conversion as well as digital control. This data acquisition box is then connected to a commercial laptop running a custom application created using National Instruments LabVIEW. The operation of the PVD WCCS Flow Detection System consists of first attaching a heater/thermistor assembly to each of the two branches of one manifold while there is no flow through the manifold. Next, the software application running on the laptop is used to turn on the heaters and to monitor the manifold branch temperatures. When the system has reached thermal equilibrium, the software application s graphical user interface (GUI) will indicate that the branch temperatures are stable. The operator can then physically open the flow control valve to initiate the test flow of gaseous nitrogen (GN2) through the manifold. Next, the software user interface will be monitored for stable temperature indications when the system is again at

Numerical analysis of MHD Carreau fluid flow over a stretching cylinder with homogenous-heterogeneous reactions

Science.gov (United States)

Khan, Imad; Ullah, Shafquat; Malik, M. Y.; Hussain, Arif

2018-06-01

The current analysis concentrates on the numerical solution of MHD Carreau fluid flow over a stretching cylinder under the influences of homogeneous-heterogeneous reactions. Modelled non-linear partial differential equations are converted into ordinary differential equations by using suitable transformations. The resulting system of equations is solved with the aid of shooting algorithm supported by fifth order Runge-Kutta integration scheme. The impact of non-dimensional governing parameters on the velocity, temperature, skin friction coefficient and local Nusselt number are comprehensively delineated with the help of graphs and tables.

Numerical study for melting heat transfer and homogeneous-heterogeneous reactions in flow involving carbon nanotubes

Science.gov (United States)

Hayat, Tasawar; Muhammad, Khursheed; Alsaedi, Ahmed; Asghar, Saleem

2018-03-01

Present work concentrates on melting heat transfer in three-dimensional flow of nanofluid over an impermeable stretchable surface. Analysis is made in presence of porous medium and homogeneous-heterogeneous reactions. Single and multi-wall CNTs (carbon nanotubes) are considered. Water is chosen as basefluid. Adequate transformations yield the non-linear ordinary differential systems. Solution of emerging problems is obtained using shooting method. Impacts of influential variables on velocity and temperature are discussed graphically. Skin friction coefficient and Nusselt number are numerically discussed. The results for MWCNTs and SWCNTs are compared and examined.

A novel high performance stopped-flow apparatus equipped with a special constructed mixing chamber containing a plunger under inert condition with a very short dead-time to investigate very rapid reactions

Directory of Open Access Journals (Sweden)

Sayyed Mostafa Habibi Khorassani

2015-11-01

Full Text Available The present work set out to establish a novel stopped-flow instrument equipped with a special constructed mixing chamber containing a plunger to enable a kinetic study of the very rapid reactions under a dry inert atmosphere glove bag, in particular, for the reactions are sensitive to moisture or air. A stopped-flow spectrophotometer is essentially a conventional spectrophotometer with the addition of a system for rapid mixing of solutions. The purpose of this work is to describe the fabrication and evaluation of specially constructed and in-expensive stopped-flow system. The evaluation includes determination of the dead-time, relative mixing efficiency, and the measurement of known rate constants. Herein, a dead-time of about 3.4 ms was determined in the final modified construction of the stopped-flow apparatus in order to investigate the rapid initial during which some form of reaction intermediate is presented to be formed.

Chemical and biological activity in open flows: A dynamical system approach

International Nuclear Information System (INIS)

Tel, Tamas; Moura, Alessandro de; Grebogi, Celso; Karolyi, Gyoergy

2005-01-01

Chemical and biological processes often take place in fluid flows. Many of them, like environmental or microfluidical ones, generate filamentary patterns which have a fractal structure, due to the presence of chaos in the underlying advection dynamics. In such cases, hydrodynamical stirring strongly couples to the reactivity of the advected species: the outcome of the reaction is then typically different from that of the same reaction taking place in a well-mixed environment. Here we review recent progress in this field, which became possible due to the application of methods taken from dynamical system theory. We place special emphasis on the derivation of effective rate equations which contain singular terms expressing the fact that the reaction takes place on a moving fractal catalyst, on the unstable foliation of the reaction free advection dynamics

The application of a monolithic triphenylphosphine reagent for conducting Ramirez gem-dibromoolefination reactions in flow.

Science.gov (United States)

Roper, Kimberley A; Berry, Malcolm B; Ley, Steven V

2013-01-01

The application of a monolithic form of triphenylphosphine to the Ramirez gem-dibromoolefination reaction using flow chemistry techniques is reported. A variety of gem-dibromides were synthesised in high purity and excellent yield following only removal of solvent and no further off-line purification. It is also possible to perform the Appel reaction using the same monolith and the relationship between the mechanisms of the two reactions is discussed.

Simulation experiments for a large leak sodium-water reaction analysis. Volume 4. IHTS/relief system simulation tests

International Nuclear Information System (INIS)

Ploeger, D.W.

1978-09-01

Tests were performed in which a simplified 1/8-scale model of the intermediate heat transfer system and relief system of a LMFBR was subjected to a simulated sodium-water reaction in a steam generator. Pressures in the intermediate heat exchanger (IHX) and in the pipe were measured. The flow of water through the relief system was photographed and its velocity was measured. The forces on the relief system elbows resulting from the fluid flow were also measured. The tests were performed primarily to validate pulse propagation codes used for design and for direct use as design data

Fluid flow pathways through the oceanic crust: reaction permeability and isotopic tracing

Science.gov (United States)

McCaig, Andrew; Castelain, Teddy; Klein, Frieder

2013-04-01

It is generally assumed that the dominant means of creating permeability in ocean floor hydrothermal systems is fracturing, induced either by cooling or by tectonic stress. Here we show textural evidence that metamorphic reactions can create a hierarchy of permeable pathways through gabbroic rocks similar to a fracture hierarchy. Isotopic microsampling shows that just as with fractures, most flow occurs through the larger channelways, and that even at the microscale, flow can be extremely heterogeneous with alteration affecting only certain minerals in the framework, leaving others untouched. Reaction permeability is created in three ways; dissolution creating open porosity, microcracking due to volume increase reactions involving olivine, and expansion of water due to rapid heating in dyke margins, particularly when intruded into brecciated rocks. Our data comes from IODP Hole U1309D, which was drilled to 1400 mbsf in the footwall of the Atlantis Massif detachment fault at the Mid-Atlantic Ridge 30°N. The core is composed of gabbroic rocks interlayered with olivine rich troctolites, with several basalt/diabase sills in the top 130 m. The dominant alteration occurred in the greenschist facies, at depths at least 1 km below seafloor, and decreases in intensity downhole. Whole rock oxygen isotope values range from +5.5 permil to +1.5 permil, indicating variable degrees of interaction with seawater at temperatures generally > 250 °C. Gabbroic rocks and diabases exhibit a range of Sr isotope ratios from MORB values (0.70261) to intermediate ratios (0.70429). Microsampling shows that amphiboles are often more radiogenic than coexisting plagioclase and can sometimes be isotopically altered in the same rock as completely unaltered primary minerals. Large (10 cm) amphibole-filled vugs show values ranging up to 0.708, close to seawater. In some cases however the secondary minerals are virtually unaltered indicating low fluid fluxes in pervasive alteration. SEM textures in

Outcome of homogeneous and heterogeneous reactions in Darcy-Forchheimer flow with nonlinear thermal radiation and convective condition

Science.gov (United States)

Hayat, T.; Shah, Faisal; Alsaedi, A.; Hussain, Zakir

The present analysis aims to report the consequences of nonlinear radiation, convective condition and heterogeneous-homogeneous reactions in Darcy-Forchheimer flow over a non-linear stretching sheet with variable thickness. Non-uniform magnetic field and nonuniform heat generation/absorption are accounted. The governing boundary layer partial differential equations are converted into a system of nonlinear ordinary differential equations. The computations are organized and the effects of physical variables such as thickness parameter, power index, Hartman number, inertia and porous parameters, radiation parameter, Biot number, Prandtl number, ratio parameter, heat generation parameter and homogeneous-heterogeneous reaction parameter are investigated. The variations of skin friction coefficient and Nusselt number for different interesting variables are plotted and discussed. It is noticed that Biot number and heat generation variable lead to enhance the temperature distribution. The solutal boundary layer thickness decreases for larger homogeneous variable while reverse trend is seen for heterogeneous reaction.

Zinc electrodeposition from flowing alkaline zincate solutions: Role of hydrogen evolution reaction

Science.gov (United States)

Dundálek, Jan; Šnajdr, Ivo; Libánský, Ondřej; Vrána, Jiří; Pocedič, Jaromír; Mazúr, Petr; Kosek, Juraj

2017-12-01

The hydrogen evolution reaction is known as a parasitic reaction during the zinc electrodeposition from alkaline zincate solutions and is thus responsible for current efficiency losses during the electrolysis. Besides that, the rising hydrogen bubbles may cause an extra convection within a diffusion layer, which leads to an enhanced mass transport of zincate ions to an electrode surface. In this work, the mentioned phenomena were studied experimentally in a flow through electrolyzer and the obtained data were subsequently evaluated by mathematical models. The results prove the indisputable influence of the rising hydrogen bubbles on the additional mixing of the diffusion layer, which partially compensates the drop of the current efficiency of the zinc deposition at higher current flows. Moreover, the results show that the current density ratio (i.e., the ratio of an overall current density to a zinc limiting current density) is not suitable for the description of the zinc deposition, because the hydrogen evolution current density is always involved in the overall current density.

Investigation of Multiscale and Multiphase Flow, Transport and Reaction in Heavy Oil Recovery Processes

Energy Technology Data Exchange (ETDEWEB)

Yortsos, Yanis C.

2002-10-08

In this report, the thrust areas include the following: Internal drives, vapor-liquid flows, combustion and reaction processes, fluid displacements and the effect of instabilities and heterogeneities and the flow of fluids with yield stress. These find respective applications in foamy oils, the evolution of dissolved gas, internal steam drives, the mechanics of concurrent and countercurrent vapor-liquid flows, associated with thermal methods and steam injection, such as SAGD, the in-situ combustion, the upscaling of displacements in heterogeneous media and the flow of foams, Bingham plastics and heavy oils in porous media and the development of wormholes during cold production.

The application of a monolithic triphenylphosphine reagent for conducting Ramirez gem-dibromoolefination reactions in flow

Directory of Open Access Journals (Sweden)

Kimberley A. Roper

2013-09-01

Full Text Available The application of a monolithic form of triphenylphosphine to the Ramirez gem-dibromoolefination reaction using flow chemistry techniques is reported. A variety of gem-dibromides were synthesised in high purity and excellent yield following only removal of solvent and no further off-line purification. It is also possible to perform the Appel reaction using the same monolith and the relationship between the mechanisms of the two reactions is discussed.

A Systems Approach towards an Intelligent and Self-Controlling Platform for Integrated Continuous Reaction Sequences**

Science.gov (United States)

Ingham, Richard J; Battilocchio, Claudio; Fitzpatrick, Daniel E; Sliwinski, Eric; Hawkins, Joel M; Ley, Steven V

2015-01-01

Performing reactions in flow can offer major advantages over batch methods. However, laboratory flow chemistry processes are currently often limited to single steps or short sequences due to the complexity involved with operating a multi-step process. Using new modular components for downstream processing, coupled with control technologies, more advanced multi-step flow sequences can be realized. These tools are applied to the synthesis of 2-aminoadamantane-2-carboxylic acid. A system comprising three chemistry steps and three workup steps was developed, having sufficient autonomy and self-regulation to be managed by a single operator. PMID:25377747

Mechanistic Study of Ni/CeO{sub 2}-catalyzed CO{sub 2}/CH{sub 4} Reaction Using Flow and Static Methods

Energy Technology Data Exchange (ETDEWEB)

Kang, Jin-Gyu; Roh, Joong-Seok; Kim, Ji-Yeong; Lee, Sung-Han; Choi, Jonng-Gill [Yonsei University, Seoul (Korea, Republic of)

2016-08-15

Ni/CeO{sub 2} catalysts with different Ni loadings (5, 7, 10, 12, and 14 wt% Ni) were prepared by an impregnation method and examined for the CO{sub 2} reforming of methane using flow and static reactors. Their catalytic activities and selectivities were measured under CO{sub 2}/CH{sub 4}/Ar (=5/5/40 cm{sup 3}/min) flow at 450-800 .deg. C using a flow reactor system with an on-line gas chromatography. At flexed temperature, the CO{sub 2} and CH{sub 4} conversions varied only slightly with the Ni wt%, whereas the H{sub 2}/CO ratio increased with increasing Ni wt%. The conversions increased with temperature, reaching 98% at 800 .deg. C. The H{sub 2}/CO ratio varied with temperature in the range of 450-800 .deg. C, from less than 1 below 550 .deg. C to close to 1 at 550-600 .deg. C and then back to less than 1 above 600 .deg. C. The apparent activation energies were determined to be 43.1 kJ/mol for the CO{sub 2} consumption and 50.2 kJ/mol for the CH{sub 4} consumption based on the rates measured for the reforming reaction over 5 wt% Ni/CeO{sub 2} catalyst at 550-750 .deg. C. Additionally, the catalytic reforming reaction at low pressure (40 Torr) was investigated by a static reactor system by using a differential photoacoustic cell, in which the rates were measured from the CO{sub 2} photoacoustic signal data at early reaction times over the temperature range of 460-610 .deg. C. Apparent activation energies of 25.5-30.1 kJ/mol were calculated from the CO{sub 2} disappearance rates. The CO{sub 2} adsorption on the Ni/CeO{sub 2} catalyst was investigated by the CO{sub 2} photoacoustic spectroscopy and Fourier transform infrared spectroscopy. Feasible side reactions during the catalytic CO{sub 2}/CH{sub 4} reaction were suggested on the basis of the kinetic and spectroscopic results.

Numerical tackling for viscoelastic fluid flow in rotating frame considering homogeneous-heterogeneous reactions

Directory of Open Access Journals (Sweden)

Najwa Maqsood

Full Text Available This study provides a numerical treatment for rotating flow of viscoelastic (Maxwell fluid bounded by a linearly deforming elastic surface. Mass transfer analysis is carried out in the existence of homogeneous-heterogeneous reactions. By means of usual transformation, the governing equations are changed into global similarity equations which have been tackled by an expedient shooting approach. A contemporary numerical routine bvp4c of software MATLAB is also opted to develop numerical approximations. Both methods of solution are found in complete agreement in all the cases. Velocity and concentration profiles are computed and elucidated for certain range of viscoelastic fluid parameter. The solutions contain a rotation-strength parameter λ that has a considerable impact on the flow fields. For sufficiently large value of λ, the velocity fields are oscillatory decaying function of the non-dimensional vertical distance. Concentration distribution at the surface is found to decrease upon increasing the strengths of chemical reactions. A comparison of present computations is made with those of already published ones and such comparison appears convincing. Keywords: Maxwell fluid, Similarity solution, Numerical method, Chemical reaction, Stretching sheet

Relativistic thermodynamics of irreversible processes I. Heat conduction, diffusion, viscous flow and chemical reactions; formal part

NARCIS (Netherlands)

Kluitenberg, G.A.; Groot, S.R. de; Mazur, P.

1953-01-01

The relativistic thermodynamics of irreversible processes is developed for an isotropic mixture in which heat conduction, diffusion, viscous flow, chemical reactions and their cross-phenomena may occur. The four-vectors, representing the relative flows of matter, are defined in such a way that, in

A Novel Approach for Modeling Chemical Reaction in Generalized Fluid System Simulation Program

Science.gov (United States)

Sozen, Mehmet; Majumdar, Alok

2002-01-01

The Generalized Fluid System Simulation Program (GFSSP) is a computer code developed at NASA Marshall Space Flight Center for analyzing steady state and transient flow rates, pressures, temperatures, and concentrations in a complex flow network. The code, which performs system level simulation, can handle compressible and incompressible flows as well as phase change and mixture thermodynamics. Thermodynamic and thermophysical property programs, GASP, WASP and GASPAK provide the necessary data for fluids such as helium, methane, neon, nitrogen, carbon monoxide, oxygen, argon, carbon dioxide, fluorine, hydrogen, water, a hydrogen, isobutane, butane, deuterium, ethane, ethylene, hydrogen sulfide, krypton, propane, xenon, several refrigerants, nitrogen trifluoride and ammonia. The program which was developed out of need for an easy to use system level simulation tool for complex flow networks, has been used for the following purposes to name a few: Space Shuttle Main Engine (SSME) High Pressure Oxidizer Turbopump Secondary Flow Circuits, Axial Thrust Balance of the Fastrac Engine Turbopump, Pressurized Propellant Feed System for the Propulsion Test Article at Stennis Space Center, X-34 Main Propulsion System, X-33 Reaction Control System and Thermal Protection System, and International Space Station Environmental Control and Life Support System design. There has been an increasing demand for implementing a combustion simulation capability into GFSSP in order to increase its system level simulation capability of a liquid rocket propulsion system starting from the propellant tanks up to the thruster nozzle for spacecraft as well as launch vehicles. The present work was undertaken for addressing this need. The chemical equilibrium equations derived from the second law of thermodynamics and the energy conservation equation derived from the first law of thermodynamics are solved simultaneously by a Newton-Raphson method. The numerical scheme was implemented as a User

Utilization of Stop-flow Micro-tubing Reactors for the Development of Organic Transformations.

Science.gov (United States)

Toh, Ren Wei; Li, Jie Sheng; Wu, Jie

2018-01-04

A new reaction screening technology for organic synthesis was recently demonstrated by combining elements from both continuous micro-flow and conventional batch reactors, coined stop-flow micro-tubing (SFMT) reactors. In SFMT, chemical reactions that require high pressure can be screened in parallel through a safer and convenient way. Cross-contamination, which is a common problem in reaction screening for continuous flow reactors, is avoided in SFMT. Moreover, the commercially available light-permeable micro-tubing can be incorporated into SFMT, serving as an excellent choice for light-mediated reactions due to a more effective uniform light exposure, compared to batch reactors. Overall, the SFMT reactor system is similar to continuous flow reactors and more superior than batch reactors for reactions that incorporate gas reagents and/or require light-illumination, which enables a simple but highly efficient reaction screening system. Furthermore, any successfully developed reaction in the SFMT reactor system can be conveniently translated to continuous-flow synthesis for large scale production.

Fluid flow control system

International Nuclear Information System (INIS)

Rion, Jacky.

1982-01-01

Fluid flow control system featuring a series of grids placed perpendicular to the fluid flow direction, characterized by the fact that it is formed of a stack of identical and continuous grids, each of which consists of identical meshes forming a flat lattice. The said meshes are offset from one grid to the next. This system applies in particular to flow control of the coolant flowing at the foot of an assembly of a liquid metal cooled nuclear reactor [fr

Heterogeneous redox reactions in groundwater flow systems - Investigation and application of two different coupled codes

Energy Technology Data Exchange (ETDEWEB)

Pfingsten, W.; Carnahan, C.L. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1995-05-01

Two simulators of reactive chemical transport are applied to a set of problems involving heterogeneous reactions of uranium species. The simulators use similar algorithms to compute the heterogeneous chemical equilibria, but they use different approaches to the computation of solute transport and to the coupling of transport with chemical reactions. One simulator (MCOTAC) sequentially couples calculations of static chemical equilibria to a random-walk simulation of solute advection and dispersion. The other simulator (THCC) directly couples mass action relations for chemical equilibria to finite-difference representations of the solute transport equations. The aim of the comparison was to demonstrate the applicability of the newly developed code MCOTAC to redox problems, and to identify and investigate general differences between the two types of codes within these applications. The chosen heterogeneous redox systems are hypothetically generate systems which provide numerical difficulties within the coupled code calculation. Uranium, an important component of heterogeneous redox systems consisting of uraniferous solids and natural groundwaters, was chosen as a main component in the example redox systems because of practical interest for performance assessment of geological repositories for nuclear wastes. The calculations show reasonable agreement, in general, between the two computational approaches. Specific areas of disagreement arise from numerical difficulties to each approach. Such `benchmarking` can enhance confidence in the overall performance of individual simulators while identifying aspects that may require further investigations and possible modifications. (author) figs., tabs., 7 refs.

Two Experiments to Approach the Boltzmann Factor: Chemical Reaction and Viscous Flow

Science.gov (United States)

Fazio, Claudio; Battaglia, Onofrio R.; Guastella, Ivan

2012-01-01

In this paper we discuss a pedagogical approach aimed at pointing out the role played by the Boltzmann factor in describing phenomena usually perceived as regulated by different mechanisms of functioning. Experimental results regarding some aspects of a chemical reaction and of the viscous flow of some liquids are analysed and described in terms…

A quenched-flow system for measuring heterogeneous enzyme kinetics with sub-second time resolution

DEFF Research Database (Denmark)

Olsen, Johan Pelck; Kari, Jeppe; Borch, Kim

2017-01-01

of insoluble substrate. Perhaps for this reason, transient kinetics has rarely been reported for heterogeneous enzyme reactions. Here, we describe a quenched-flow system using peristaltic pumps and stirred substrate suspensions with a dead time below 100 ms. The general performance was verified by alkali...

Impact of chemical reaction in fully developed radiated mixed convective flow between two rotating disk

Science.gov (United States)

Hayat, T.; Khan, M. Waleed Ahmed; Khan, M. Ijaz; Waqas, M.; Alsaedi, A.

2018-06-01

Flow of magnetohydrodynamic (MHD) viscous fluid between two rotating disks is modeled. Angular velocities of two disks are different. Flow is investigated for nonlinear mixed convection. Heat transfer is analyzed for nonlinear thermal radiation and heat generation/absorption. Chemical reaction is also implemented. Convective conditions of heat and mass transfer are studied. Transformations used lead to reduction of PDEs into the ODEs. The impacts of important physical variables like Prandtl number, Reynold number, Hartman number, mixed convection parameter, chemical reaction and Schmidt number on velocities, temperature and concentration are elaborated. In addition velocity and temperature gradients are physically interpreted. Our obtained results indicate that radial, axial and tangential velocities decrease for higher estimation of Hartman number.

An atmospheric pressure high-temperature laminar flow reactor for investigation of combustion and related gas phase reaction systems.

Science.gov (United States)

Oßwald, Patrick; Köhler, Markus

2015-10-01

A new high-temperature flow reactor experiment utilizing the powerful molecular beam mass spectrometry (MBMS) technique for detailed observation of gas phase kinetics in reacting flows is presented. The reactor design provides a consequent extension of the experimental portfolio of validation experiments for combustion reaction kinetics. Temperatures up to 1800 K are applicable by three individually controlled temperature zones with this atmospheric pressure flow reactor. Detailed speciation data are obtained using the sensitive MBMS technique, providing in situ access to almost all chemical species involved in the combustion process, including highly reactive species such as radicals. Strategies for quantifying the experimental data are presented alongside a careful analysis of the characterization of the experimental boundary conditions to enable precise numeric reproduction of the experimental results. The general capabilities of this new analytical tool for the investigation of reacting flows are demonstrated for a selected range of conditions, fuels, and applications. A detailed dataset for the well-known gaseous fuels, methane and ethylene, is provided and used to verify the experimental approach. Furthermore, application for liquid fuels and fuel components important for technical combustors like gas turbines and engines is demonstrated. Besides the detailed investigation of novel fuels and fuel components, the wide range of operation conditions gives access to extended combustion topics, such as super rich conditions at high temperature important for gasification processes, or the peroxy chemistry governing the low temperature oxidation regime. These demonstrations are accompanied by a first kinetic modeling approach, examining the opportunities for model validation purposes.

An atmospheric pressure high-temperature laminar flow reactor for investigation of combustion and related gas phase reaction systems

Energy Technology Data Exchange (ETDEWEB)

Oßwald, Patrick; Köhler, Markus [Institute of Combustion Technology, German Aerospace Center (DLR), Pfaffenwaldring 38-40, D-70569 Stuttgart (Germany)

2015-10-15

A new high-temperature flow reactor experiment utilizing the powerful molecular beam mass spectrometry (MBMS) technique for detailed observation of gas phase kinetics in reacting flows is presented. The reactor design provides a consequent extension of the experimental portfolio of validation experiments for combustion reaction kinetics. Temperatures up to 1800 K are applicable by three individually controlled temperature zones with this atmospheric pressure flow reactor. Detailed speciation data are obtained using the sensitive MBMS technique, providing in situ access to almost all chemical species involved in the combustion process, including highly reactive species such as radicals. Strategies for quantifying the experimental data are presented alongside a careful analysis of the characterization of the experimental boundary conditions to enable precise numeric reproduction of the experimental results. The general capabilities of this new analytical tool for the investigation of reacting flows are demonstrated for a selected range of conditions, fuels, and applications. A detailed dataset for the well-known gaseous fuels, methane and ethylene, is provided and used to verify the experimental approach. Furthermore, application for liquid fuels and fuel components important for technical combustors like gas turbines and engines is demonstrated. Besides the detailed investigation of novel fuels and fuel components, the wide range of operation conditions gives access to extended combustion topics, such as super rich conditions at high temperature important for gasification processes, or the peroxy chemistry governing the low temperature oxidation regime. These demonstrations are accompanied by a first kinetic modeling approach, examining the opportunities for model validation purposes.

Flow pumping system for physiological waveforms.

Science.gov (United States)

Tsai, William; Savaş, Omer

2010-02-01

A pulsatile flow pumping system is developed to replicate flow waveforms with reasonable accuracy for experiments simulating physiological blood flows at numerous points in the body. The system divides the task of flow waveform generation between two pumps: a gear pump generates the mean component and a piston pump generates the oscillatory component. The system is driven by two programmable servo controllers. The frequency response of the system is used to characterize its operation. The system has been successfully tested in vascular flow experiments where sinusoidal, carotid, and coronary flow waveforms are replicated.

Numerical simulation of hydrogen-air reacting flows in rectangular channels with catalytic surface reactions

Science.gov (United States)

Amano, Ryoichi S.; Abou-Ellail, Mohsen M.; Elhaw, Samer; Saeed Ibrahim, Mohamed

2013-09-01

In this work a prediction was numerically modeled for a catalytically stabilized thermal combustion of a lean homogeneous mixture of air and hydrogen. The mixture flows in a narrow rectangular channel lined with a thin coating of platinum catalyst. The solution using an in-house code is based on the steady state partial differential continuity, momentum and energy conservation equations for the mixture and species involved in the reactions. A marching technique is used along the streamwise direction to solve the 2-D plane-symmetric laminar flow of the gas. Two chemical kinetic reaction mechanisms were included; one for the gas phase reactions consisting of 17 elementary reactions; of which 7 are forward-backward reactions while the other mechanism is for the surface reactions—which are the prime mover of the combustion under a lean mixture condition—consisting of 16 elementary reactions. The results were compared with a former congruent experimental work where temperature was measured using thermocouples, while using PLIF laser for measuring water and hydrogen mole fractions. The comparison showed good agreement. More results for the velocities, mole fractions of other species were carried out across the transverse and along the streamwise directions providing a complete picture of overall mechanism—gas and surface—and on the production, consumptions and travel of the different species. The variations of the average OH mole fraction with the streamwise direction showed a sudden increase in the region where the ignition occurred. Also the rate of reactions of the entire surface species were calculated along the streamwise direction and a surface water production flux equation was derived by calculating the law of mass action's constants from the concentrations of hydrogen, oxygen and the rate of formation of water near the surface.

Measurement of Effect of Chemical Reactions on the Hydrologic Properties of Fractured Glass Media Using a Tri-axial Flow and Transport Apparatus

International Nuclear Information System (INIS)

Saripalli, Prasad; Lindberg, Michael J.; Meyer, P. D.

2006-01-01

Understanding the effect of chemical reactions on the hydrologic properties of sub-surface media is critical to many natural and engineered sub-surface systems. Methods and information for such characterization of fractured media are severely lacking. Influence of glass corrosion (precipitation and dissolution) reactions on fractured glass blocks HAN28 and LAWBP1, two candidate waste glass forms for a proposed immobilized low-activity waste (ILAW) disposal facility at the Hanford, WA site, was investigated. Flow and tracer transport experiments were conducted in such randomly and multiply fractured ILAW glass blocks, before and after subjecting them to corrosion using Vapor Hydration Testing (VHT) at 200 C temperature and 200 psig (1379 KPa) pressure, causing the precipitation of alteration products. A tri-axial fractured media flow and transport experimental apparatus, which allows the simultaneous measurement of flow and transport properties and their anisotropy, has been designed and built for this purpose. Such apparatus for fractured media characterization are being reported in the literature only recently. Hydraulic properties of fractured blocks were measured in different orientations and along different cardinal directions, before and after glass corrosion reactions. Miscible displacement experiments using a non-reactive dye were also conducted, before and after glass corrosion reactions, to study the tracer transport behavior through such media. Initial efforts to analyze breakthrough curve (BTC) data using a 1D Advection Dispersion Equation (ADE) solution revealed that a different fractured media transport model may be necessary for such interpretation. It was found that glass reactions can have a significant influence on the hydrologic properties of fractured ILAW glass media. The methods and results are unique and useful to better understand the effect of chemical reactions on the hydrologic properties of fractured geomedia in general and glass media in

Synthesis of α-amino-1,3-dicarbonyl compounds via Ugi flow chemistry reaction: access to functionalized 1,2,3-triazoles.

Science.gov (United States)

Vasconcelos, Stanley N S; Fornari, Evelin; Caracelli, Ignez; Stefani, Hélio A

2017-11-01

The Ugi multicomponent reaction has been used as an important synthetic route to obtain compounds with potential biological activity. We present the rapid and efficient synthesis of [Formula: see text]-amino-1,3-dicarbonyl compounds in moderate to good yields via Ugi flow chemistry reactions performed with a continuous flow reactor. Such [Formula: see text]-amino-1,3-dicarbonyl compounds can act as precursors for the production of [Formula: see text]-amino acids via hydrolysis of the ethyl ester group as well as building blocks for the synthesis of novel compounds with the 1,2,3-triazole ring. The [Formula: see text]-amino acid derivatives of the Ugi flow chemistry reaction products were then used for dipeptide synthesis.

Room Temperature, Hybrid Sodium-Based Flow Batteries with Multi-Electron Transfer Redox Reactions

Science.gov (United States)

Shamie, Jack S.; Liu, Caihong; Shaw, Leon L.; Sprenkle, Vincent L.

2015-01-01

We introduce a new concept of hybrid Na-based flow batteries (HNFBs) with a molten Na alloy anode in conjunction with a flowing catholyte separated by a solid Na-ion exchange membrane for grid-scale energy storage. Such HNFBs can operate at ambient temperature, allow catholytes to have multiple electron transfer redox reactions per active ion, offer wide selection of catholyte chemistries with multiple active ions to couple with the highly negative Na alloy anode, and enable the use of both aqueous and non-aqueous catholytes. Further, the molten Na alloy anode permits the decoupled design of power and energy since a large volume of the molten Na alloy can be used with a limited ion-exchange membrane size. In this proof-of-concept study, the feasibility of multi-electron transfer redox reactions per active ion and multiple active ions for catholytes has been demonstrated. The critical barriers to mature this new HNFBs have also been explored. PMID:26063629

[Study of Reaction Dynamics between Bovine Serum Albumin and Folic Acid by Stopped-Flow/Fluorescence].

Science.gov (United States)

Ye, San-xian; Luo, Yun-jing; Qiao, Shu-liang; Li, Li; Liu, Cai-hong; Shi, Jian-long; An, Xue-jing

2016-01-01

As a kind of coenzyme of one-carbon enzymes in vivo, folic acid belongs to B vitamins, which can interact with other vitamins and has great significance for converting among amino acids, dividing growth of cells and protein synthesis reactions. Half-life, concentration and reaction rate constant of drugs are important parameters in pharmacokinetic study. In this paper, by utilizing fluorescence spectrophotometer and stopped-flow spectrum analyzer, reaction kinetic parameters between bovine serum albumin(BSA) and folic acid in a bionic system have been investigated, which provide references for parameters of drug metabolism related to folic acid. By using Stern-Volmer equation dealing with fluorescence quenching experiments data, we concluded that under 25, 30, and 37 degrees C, the static quenching constants of folic acid to intrinsic fluorescence from bovine serum albumin were 2.455 x 10(10), 4.900 x 10(10) and 6.427 x 10(10) L x mol(-1) x s(-1) respectively; The results of kinetic reaction rate have shown that the reaction rate of BSA and folic acid are greater than 100 mol x L(-1) x s(-1) at different temperatures, pH and buffering media, illustrating that the quenching mechanism between BSA and folic acid is to form composite static quenching process. Reaction concentration of bovine serum albumin and its initial concentration were equal to the secondary reaction formula, and the correlation coefficient was 0.998 7, while the half-life (t1/2) was 0.059 s at physiological temperature. With the increase of folic acid concentration, the apparent rate constant of this reaction had a linear increasing trend, the BSA fluorescence quenching rate constant catalyzed by folic acid was 3.174 x 10(5) mol x L(-1) x s(-1). Furthermore, with different buffer, the apparent rate constant and reaction rate constant of BSA interacting with folic acid were detected to explore the influence on the reaction under physiological medium, which is of great significance to determine the

Asymptotic stability of a coupled advection-diffusion-reaction system arising in bioreactor processes

Directory of Open Access Journals (Sweden)

Maria Crespo

2017-08-01

Full Text Available In this work, we present an asymptotic analysis of a coupled system of two advection-diffusion-reaction equations with Danckwerts boundary conditions, which models the interaction between a microbial population (e.g., bacteria, called biomass, and a diluted organic contaminant (e.g., nitrates, called substrate, in a continuous flow bioreactor. This system exhibits, under suitable conditions, two stable equilibrium states: one steady state in which the biomass becomes extinct and no reaction is produced, called washout, and another steady state, which corresponds to the partial elimination of the substrate. We use the linearization method to give sufficient conditions for the linear asymptotic stability of the two stable equilibrium configurations. Finally, we compare our asymptotic analysis with the usual asymptotic analysis associated to the continuous bioreactor when it is modeled with ordinary differential equations.

Palladium-catalyzed coupling reactions

CERN Document Server

Molnár, Árpád

2013-01-01

This handbook and ready reference brings together all significant issues of practical importance for interested readers in one single volume. While covering homogeneous and heterogeneous catalysis, the text is unique in focusing on such important aspects as using different reaction media, microwave techniques or catalyst recycling. It also provides a comprehensive treatment of modern-day coupling reactions and emphasizes those topics that show potential for future development, such as continuous flow systems, water as a reaction medium, and catalyst immobilization, among others. With i

The application of a monolithic triphenylphosphine reagent for conducting Appel reactions in flow microreactors.

Science.gov (United States)

Roper, Kimberley A; Lange, Heiko; Polyzos, Anastasios; Berry, Malcolm B; Baxendale, Ian R; Ley, Steven V

2011-01-01

Herein we describe the application of a monolithic triphenylphosphine reagent to the Appel reaction in flow-chemistry processing, to generate various brominated products with high purity and in excellent yields, and with no requirement for further off-line purification.

A numerical study of boiling flow instability of a reactor thermosyphon system

International Nuclear Information System (INIS)

Nayak, A.K.; Lathouwers, D.; Hagen, T.H.J.J. van der; Schrauwen, Frans; Molenaar, Peter; Rogers, Andrew

2006-01-01

A numerical study has been carried out to investigate the boiling flow instability of a reactor thermosyphon system. The numerical model solves the conservation equations of mass, momentum and energy applicable to a two-fluid and three-field steam-water system using a finite difference technique. The computer code MONA was used for this purpose. The code was applied to the thermosyphon system of an EO (ethylene oxide) chemical reactor in which the heat released by a catalytic reaction is carried by boiling water under natural circulation conditions. The steady-state characteristics of the reactor thermosyphon system were predicted using the MONA code and conventional two-phase flow models in order to understand the model applicability for this type of thermosyphon system. The two-fluid model was found to predict the flow closest to the measured value of the plant. The stability behaviour of the thermosyphon system was investigated for a wide range of operating conditions. The effects of power, subcooling, riser length and riser diameter on the boiling flow instability were determined. The system was found to be unstable at higher power conditions which is typical for a Type II instability. However, with an increase in riser diameter, oscillations at low power were observed as well. These are classified as Type I instabilities. Stability maps were predicted for both Type I and Type II instabilities. Methods of improving the stability of the system are discussed

A numerical study of boiling flow instability of a reactor thermosyphon system

Energy Technology Data Exchange (ETDEWEB)

Nayak, A.K.; Lathouwers, D.; Hagen, T.H.J.J. van der [Interfaculty Reactor Institute, Delft University of Technology, Mekelweg 15, 2629 JB Delft (Netherlands); Schrauwen, Frans; Molenaar, Peter; Rogers, Andrew [Shell Research and Technology Centre, Badhuisweg 3, 1031 CM Amsterdam (Netherlands)

2006-04-01

A numerical study has been carried out to investigate the boiling flow instability of a reactor thermosyphon system. The numerical model solves the conservation equations of mass, momentum and energy applicable to a two-fluid and three-field steam-water system using a finite difference technique. The computer code MONA was used for this purpose. The code was applied to the thermosyphon system of an EO (ethylene oxide) chemical reactor in which the heat released by a catalytic reaction is carried by boiling water under natural circulation conditions. The steady-state characteristics of the reactor thermosyphon system were predicted using the MONA code and conventional two-phase flow models in order to understand the model applicability for this type of thermosyphon system. The two-fluid model was found to predict the flow closest to the measured value of the plant. The stability behaviour of the thermosyphon system was investigated for a wide range of operating conditions. The effects of power, subcooling, riser length and riser diameter on the boiling flow instability were determined. The system was found to be unstable at higher power conditions which is typical for a Type II instability. However, with an increase in riser diameter, oscillations at low power were observed as well. These are classified as Type I instabilities. Stability maps were predicted for both Type I and Type II instabilities. Methods of improving the stability of the system are discussed. [Author].

Chemical reactions in reverse micelle systems

Science.gov (United States)

Matson, Dean W.; Fulton, John L.; Smith, Richard D.; Consani, Keith A.

1993-08-24

This invention is directed to conducting chemical reactions in reverse micelle or microemulsion systems comprising a substantially discontinuous phase including a polar fluid, typically an aqueous fluid, and a microemulsion promoter, typically a surfactant, for facilitating the formation of reverse micelles in the system. The system further includes a substantially continuous phase including a non-polar or low-polarity fluid material which is a gas under standard temperature and pressure and has a critical density, and which is generally a water-insoluble fluid in a near critical or supercritical state. Thus, the microemulsion system is maintained at a pressure and temperature such that the density of the non-polar or low-polarity fluid exceeds the critical density thereof. The method of carrying out chemical reactions generally comprises forming a first reverse micelle system including an aqueous fluid including reverse micelles in a water-insoluble fluid in the supercritical state. Then, a first reactant is introduced into the first reverse micelle system, and a chemical reaction is carried out with the first reactant to form a reaction product. In general, the first reactant can be incorporated into, and the product formed in, the reverse micelles. A second reactant can also be incorporated in the first reverse micelle system which is capable of reacting with the first reactant to form a product.

Continuous-flow retro-Diels-Alder reaction: an efficient method for the preparation of pyrimidinone derivatives.

Science.gov (United States)

Nekkaa, Imane; Palkó, Márta; Mándity, István M; Fülöp, Ferenc

2018-01-01

The syntheses of various pyrimidinones as potentially bioactive products by means of the highly controlled continuous-flow retro-Diels-Alder reaction of condensed pyrimidinone derivatives are presented. Noteworthy, the use of this approach allowed us to rapidly screen a selection of conditions and quickly confirm the viability of preparing the desired pyrimidinones in short reaction times. Yields typically higher than those published earlier using conventional batch or microwave processes were achieved.

Parallelized system for biopolymer degradation studies through automated microresonator measurement in liquid flow

DEFF Research Database (Denmark)

Casci Ceccacci, Andrea; Morelli, Lidia; Bosco, Filippo

2015-01-01

setup unit, the system allows high-throughput measurements of resonance frequency over microresonator arrays under controlled flow conditions. We here demonstrate the acquisition of statistical data on biopolymer films degradation under enzymatic reaction over a large sample of micromechanical......In this work we present a novel automated system which allows the study of enzymatic degradation of biopolymer films coated on micromechanical resonators. The system combines an optical readout based on Blu-Ray technology with a software-controlled scanning mechanism. Integrated with a microfluidic...

Kinetics study of heterogeneous reactions of ozone with erucic acid using an ATR-IR flow reactor.

Science.gov (United States)

Leng, Chunbo; Hiltner, Joseph; Pham, Hai; Kelley, Judas; Mach, Mindy; Zhang, Yunhong; Liu, Yong

2014-03-07

The ozone initiated heterogeneous oxidation of erucic acid (EA) thin film was investigated using a flow system combined with attenuated total reflection infrared spectroscopy (ATR-IR) over wide ranges of ozone concentrations (0.25-60 ppm), thin film thickness (0.1-1.0 μm), temperatures (263-298 K), and relative humidities (0-80% RH) for the first time. Pseudo-first-order rate constants, kapp, and overall reactive uptake coefficients, γ, were obtained through changes in the absorbance of C[double bond, length as m-dash]O stretching bands at 1695 cm(-1), which is assigned to the carbonyl group in carboxylic acid. Results showed that the reaction followed the Langmuir-Hinshelwood mechanism and kapp was largely dominated by surface reaction over bulk phase reaction. In addition, both the kapp and the γ values showed very strong temperature dependences (∼two orders of magnitude) over the temperature range; in contrast, they only slightly increased with increasing RH values from 0-80%. According to the kapp values as a function of temperature, the activation energy for the heterogeneous reaction was estimated to be 80.6 kJ mol(-1). Our results have suggested that heterogeneous reactions between ozone and unsaturated solid surfaces likely have a substantially greater temperature dependence than liquid ones. Moreover, the hygroscopic properties of EA thin films before and after exposure to ozone were also studied by measurement of water uptake. Based on the hygroscopicity data, the insignificant RH effect on reaction kinetics was probably due to the relatively weak water uptake by the unreacted and reacted EA thin films.

Research on Liquid Management Technology in Water Tank and Reactor for Propulsion System with Hydrogen Production System Utilizing Aluminum and Water Reaction

Science.gov (United States)

Imai, Ryoji; Imamura, Takuya; Sugioka, Masatoshi; Higashino, Kazuyuki

2017-12-01

High pressure hydrogen produced by aluminum and water reaction is considered to be applied to space propulsion system. Water tank and hydrogen production reactor in this propulsion system require gas and liquid separation function under microgravity condition. We consider to install vane type liquid acquisition device (LAD) utilizing surface tension in the water tank, and install gas-liquid separation mechanism by centrifugal force which swirling flow creates in the hydrogen reactor. In water tank, hydrophilic coating was covered on both tank wall and vane surface to improve wettability. Function of LAD in water tank and gas-liquid separation in reaction vessel were evaluated by short duration microgravity experiments using drop tower facility. In the water tank, it was confirmed that liquid was driven and acquired on the outlet due to capillary force created by vanes. In addition of this, it was found that gas-liquid separation worked well by swirling flow in hydrogen production reactor. However, collection of hydrogen gas bubble was sometimes suppressed by aluminum alloy particles, which is open problem to be solved.

The application of a monolithic triphenylphosphine reagent for conducting Appel reactions in flow microreactors

Directory of Open Access Journals (Sweden)

Kimberley A. Roper

2011-12-01

Full Text Available Herein we describe the application of a monolithic triphenylphosphine reagent to the Appel reaction in flow-chemistry processing, to generate various brominated products with high purity and in excellent yields, and with no requirement for further off-line purification.

Sideward flow of K+ in Ru+Ru and Ni+Ni reactions sat SIS energies

International Nuclear Information System (INIS)

Crochet, P.; Herrmann, N.; Wisniewski, K.

2000-01-01

Experimental data on K + and proton sideward flow measured with the FOPI detector at SIS/GSI in the reactions Ru+Ru at 1.69 A GeV and Ni+Ni at 1.93 A GeV are presented. The K + sideward flow is found to be anti-correlated (correlated) with the one of protons at low (high) transverse momenta. When compared to the predictions of a transport model, the data favour the existence of an in-medium repulsive K + -nucleon potential. (author)

Impact of Cattaneo-Christov Heat Flux in Jeffrey Fluid Flow with Homogeneous-Heterogeneous Reactions.

Directory of Open Access Journals (Sweden)

Tasawar Hayat

Full Text Available Two-dimensional stretched flow of Jeffrey fluid in view of Cattaneo-Christov heat flux is addressed. Effects of homogeneous-heterogeneous reactions are also considered. Suitable transformations are used to form ordinary differential equations. Convergent series solutions are computed. Impact of significant parameters on the velocity, temperature, concentration and skin friction coefficient is addressed. Analysis of thermal relaxation is made. The obtained results show that ratio of relaxation to retardation times and Deborah number have inverse relation for velocity profile. Temperature distribution has decreasing behavior for Prandtl number and thermal relaxation time. Also concentration decreases for larger values of strength of homogeneous reaction parameter while it increases for strength of heterogeneous reaction parameter.

Impact of Cattaneo-Christov Heat Flux in Jeffrey Fluid Flow with Homogeneous-Heterogeneous Reactions.

Science.gov (United States)

Hayat, Tasawar; Qayyum, Sumaira; Imtiaz, Maria; Alsaedi, Ahmed

2016-01-01

Two-dimensional stretched flow of Jeffrey fluid in view of Cattaneo-Christov heat flux is addressed. Effects of homogeneous-heterogeneous reactions are also considered. Suitable transformations are used to form ordinary differential equations. Convergent series solutions are computed. Impact of significant parameters on the velocity, temperature, concentration and skin friction coefficient is addressed. Analysis of thermal relaxation is made. The obtained results show that ratio of relaxation to retardation times and Deborah number have inverse relation for velocity profile. Temperature distribution has decreasing behavior for Prandtl number and thermal relaxation time. Also concentration decreases for larger values of strength of homogeneous reaction parameter while it increases for strength of heterogeneous reaction parameter.

Temperature effects on lithium-nitrogen reaction rates

International Nuclear Information System (INIS)

Ijams, W.J.; Kazimi, M.S.

1985-08-01

A series of experiments have been run with the aim of measuring the reaction rate of lithium and nitrogen over a wide spectrum of lithium pool temperatures. In these experiments, pure nitrogen was blown at a controlled flow rate over a preheated lithium pool. The pool had a surface area of approximately 4 cm 2 and a total volume of approximately 6 cm 3 . The system pressure varied from 0 to 4 psig. The reaction rate was very small - approximately 0.002 to 0.003 g Li min cm 2 for lithium temperatures below 500 0 C. Above 500 0 C the reaction rate began to increase sharply, and reached a maximum of approximately 0.80 g Li min cm 2 above 700 0 C. It dropped off beyond 1000 0 C and seemed to approach zero at 1150 0 C. The maximum reaction rate observed in these forced convection experiments was higher by 60% than those previously observed in experiments where the nitrogen flowed to the reaction site by means of natural convection. During a reaction, a hard nitride layer built up on the surface of the lithium pool - its effect on the reaction rate was observed. The effect of the nitrogen flow rate on the reaction rate was also observed

Highly simplified lateral flow-based nucleic acid sample preparation and passive fluid flow control

Science.gov (United States)

Cary, Robert E.

2015-12-08

Highly simplified lateral flow chromatographic nucleic acid sample preparation methods, devices, and integrated systems are provided for the efficient concentration of trace samples and the removal of nucleic acid amplification inhibitors. Methods for capturing and reducing inhibitors of nucleic acid amplification reactions, such as humic acid, using polyvinylpyrrolidone treated elements of the lateral flow device are also provided. Further provided are passive fluid control methods and systems for use in lateral flow assays.

Highly simplified lateral flow-based nucleic acid sample preparation and passive fluid flow control

Energy Technology Data Exchange (ETDEWEB)

Cary, Robert B.

2018-04-17

Highly simplified lateral flow chromatographic nucleic acid sample preparation methods, devices, and integrated systems are provided for the efficient concentration of trace samples and the removal of nucleic acid amplification inhibitors. Methods for capturing and reducing inhibitors of nucleic acid amplification reactions, such as humic acid, using polyvinylpyrrolidone treated elements of the lateral flow device are also provided. Further provided are passive fluid control methods and systems for use in lateral flow assays.

Continuous Flow Aerobic Alcohol Oxidation Reactions Using a Heterogeneous Ru(OH)x/Al2O3 Catalyst

Science.gov (United States)

2015-01-01

Ru(OH)x/Al2O3 is among the more versatile catalysts for aerobic alcohol oxidation and dehydrogenation of nitrogen heterocycles. Here, we describe the translation of batch reactions to a continuous-flow method that enables high steady-state conversion and single-pass yields in the oxidation of benzylic alcohols and dehydrogenation of indoline. A dilute source of O2 (8% in N2) was used to ensure that the reaction mixture, which employs toluene as the solvent, is nonflammable throughout the process. A packed bed reactor was operated isothermally in an up-flow orientation, allowing good liquid–solid contact. Deactivation of the catalyst during the reaction was modeled empirically, and this model was used to achieve high conversion and yield during extended operation in the aerobic oxidation of 2-thiophene methanol (99+% continuous yield over 72 h). PMID:25620869

Numerical tackling for viscoelastic fluid flow in rotating frame considering homogeneous-heterogeneous reactions

Science.gov (United States)

Maqsood, Najwa; Mustafa, M.; Khan, Junaid Ahmad

This study provides a numerical treatment for rotating flow of viscoelastic (Maxwell) fluid bounded by a linearly deforming elastic surface. Mass transfer analysis is carried out in the existence of homogeneous-heterogeneous reactions. By means of usual transformation, the governing equations are changed into global similarity equations which have been tackled by an expedient shooting approach. A contemporary numerical routine bvp4c of software MATLAB is also opted to develop numerical approximations. Both methods of solution are found in complete agreement in all the cases. Velocity and concentration profiles are computed and elucidated for certain range of viscoelastic fluid parameter. The solutions contain a rotation-strength parameter λ that has a considerable impact on the flow fields. For sufficiently large value of λ , the velocity fields are oscillatory decaying function of the non-dimensional vertical distance. Concentration distribution at the surface is found to decrease upon increasing the strengths of chemical reactions. A comparison of present computations is made with those of already published ones and such comparison appears convincing.

Experimental and numerical reaction analysis on sodium-water chemical reaction field

International Nuclear Information System (INIS)

Deguchi, Yoshihiro; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

2015-01-01

In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using an elementary reaction analysis. A quasi one-dimensional flame model is applied to a sodium-water counter-flow reaction field. The analysis contains 25 elementary reactions, which consist of 17 H_2-O_2 and 8 Na-H_2O reactions. Temperature and species concentrations in the counter-flow reaction field were measured using laser diagnostics such as LIF and CARS. The main reaction in the experimental conditions is Na+H_2O → NaOH+H and OH is produced by H_2O+H → H_2+OH. It is demonstrated that the reaction model in this study well explains the structure of the sodium-water counter-flow diffusion flame. (author)

System identification on two-phase flow stability

International Nuclear Information System (INIS)

Wu Shaorong; Zhang Youjie; Wang Dazhong; Bo Jinghai; Wang Fei

1996-01-01

The theoretical principle, experimental method and results of interrelation analysis identification for the instability of two-phase flow are described. A completely new concept of test technology and method on two-phase flow stability was developed by using he theory of information science on system stability and system identification for two-phase flow stability in thermo-physics field. Application of this method would make it possible to identify instability boundary of two-phase flow under stable operation conditions of two-phase flow system. The experiment was carried out on the thermohydraulic test system HRTL-5. Using reverse repeated pseudo-random sequences of heating power as input signal sources and flow rate as response function in the test, the two-phase flow stability and stability margin of the natural circulation system are investigated. The effectiveness and feasibility of identifying two-phase flow stability by using this system identification method were experimentally demonstrated. Basic data required for mathematics modeling of two-phase flow and analysis of two-phase flow stability were obtained, which are useful for analyzing, monitoring of the system operation condition, and forecasting of two-phase flow stability in engineering system

Reaction chemistry of nitrogen species in hydrothermal systems: Simple reactions, waste simulants, and actual wastes

International Nuclear Information System (INIS)

Dell'Orco, P.; Luan, L.; Proesmans, P.; Wilmanns, E.

1995-01-01

Results are presented from hydrothermal reaction systems containing organic components, nitrogen components, and an oxidant. Reaction chemistry observed in simple systems and in simple waste simulants is used to develop a model which presents global nitrogen chemistry in these reactive systems. The global reaction path suggested is then compared with results obtained for the treatment of an actual waste stream containing only C-N-0-H species

Dynamic response of piping system subject to flow acoustic excitation

International Nuclear Information System (INIS)

Wang, T.; Sun, Y.S.

1988-01-01

Through the use of a theoretically derived and test data-calibrated forcing function, the dynamic response of a piping system subject to flow-acoustic induced vibration is analyzed. It is shown that the piping behavior can be predicted when consideration is given to both the wall flexural vibration and the piping system vibration. Piping responded as a system to the transversal excitation due to the swirling motion of the fluid flow, as well as flexurally to the high-frequency acoustic excitations. The transverse piping system response was calculated using a lumped mass piping model. The piping model has more stringent requirements than its counterpart for waterhammer and seismic modeling due to the shorter spiral wavelength and higher frequency of the forcing function. Proper modeling ensured that both the moment stress caused by system excitation and the local stress induced by the support reaction load were properly accounted for. Flexural vibration not only poses a threat to nipples and branch connections, but also contributes substantially to the resultant total stress experienced by the pipe. The forcing function approach has the advantage that the critical locations on the piping system can be identified by means of analysis, facilitating surveillance and inspection, as well as fatigue evaluation

Modelling of structural effects on chemical reactions in turbulent flows

Energy Technology Data Exchange (ETDEWEB)

Gammelsaeter, H.R.

1997-12-31

Turbulence-chemistry interactions are analysed using algebraic moment closure for the chemical reaction term. The coupling between turbulence and chemical length and time scales generate a complex interaction process. This interaction process is called structural effects in this work. The structural effects are shown to take place on all scales between the largest scale of turbulence and the scales of the molecular motions. The set of equations describing turbulent correlations involved in turbulent reacting flows are derived. Interactions are shown schematically using interaction charts. Algebraic equations for the turbulent correlations in the reaction rate are given using the interaction charts to include the most significant couplings. In the frame of fundamental combustion physics, the structural effects appearing on the small scales of turbulence are proposed modelled using a discrete spectrum of turbulent scales. The well-known problem of averaging the Arrhenius law, the specific reaction rate, is proposed solved using a presumed single variable probability density function and a sub scale model for the reaction volume. Although some uncertainties are expected, the principles are addressed. Fast chemistry modelling is shown to be consistent in the frame of algebraic moment closure when the turbulence-chemistry interaction is accounted for in the turbulent diffusion. The modelling proposed in this thesis is compared with experimental data for an laboratory methane flame and advanced probability density function modelling. The results show promising features. Finally it is shown a comparison with full scale measurements for an industrial burner. All features of the burner are captured with the model. 41 refs., 33 figs.

Open Thermodynamic System Concept for Fluviokarst Underground Temperature and Discharge Flow Assessments

Science.gov (United States)

Machetel, P.; Yuen, D. A.

2012-12-01

In this work, we propose to use Open Thermodynamic System (OTS) frameworks to assess temperatures and discharges of underground flows in fluviokarstic systems. The theoretical formulation is built on the first and second laws of thermodynamics. However, such assumptions would require steady states in the Control Volume to cancel the heat exchanges between underground water and embedding rocks. This situation is obviously never perfectly reached in Nature where flow discharges and temperatures vary with rainfalls, recessions and seasonal or diurnal fluctuations. First, we will shortly show that the results of a pumping test campaign on the Cent-Font (Hérault, France) fluviokarst during summer 2005 are consistent with this theoretical approach. Second, we will present the theoretical formalism of the OTS framework that leads to equation systems involving the temperatures and/or the discharges of the underground and surface flows.Third, this approach will be applied to the white (2003) conceptual model of fluviokarst, and we will present the numerical model built to assess the applicability of these assumptions. The first order of the field hydrologic properties observed at the Cent-Fonts resurgence are well described by the calculations based on this OTS framework. If this agreement is necessary, it is not sufficient to validate the method. In order to test its applicability, the mixing process has been modelized as a cooling reaction in a Continuous Stirred Tank Reactor (CSTR) for which matrix and intrusive flows are introduced continuously while effluent water is recovered at the output. The enthalpy of the various flows is conserved except for the part that exchanges heat with the embedding rocks. However the numerical model shows that in the water saturated part of the CS, the matrix flow swepts heat by convective-advective processes while temporal heat fluctuations from intrusive flows cross the CV walls. The numerical model shows that the convective flow from

Computational Analyses of Complex Flows with Chemical Reactions

Science.gov (United States)

Bae, Kang-Sik

The heat and mass transfer phenomena in micro-scale for the mass transfer phenomena on drug in cylindrical matrix system, the simulation of oxygen/drug diffusion in a three dimensional capillary network, and a reduced chemical kinetic modeling of gas turbine combustion for Jet propellant-10 have been studied numerically. For the numerical analysis of the mass transfer phenomena on drug in cylindrical matrix system, the governing equations are derived from the cylindrical matrix systems, Krogh cylinder model, which modeling system is comprised of a capillary to a surrounding cylinder tissue along with the arterial distance to veins. ADI (Alternative Direction Implicit) scheme and Thomas algorithm are applied to solve the nonlinear partial differential equations (PDEs). This study shows that the important factors which have an effect on the drug penetration depth to the tissue are the mass diffusivity and the consumption of relevant species during the time allowed for diffusion to the brain tissue. Also, a computational fluid dynamics (CFD) model has been developed to simulate the blood flow and oxygen/drug diffusion in a three dimensional capillary network, which are satisfied in the physiological range of a typical capillary. A three dimensional geometry has been constructed to replicate the one studied by Secomb et al. (2000), and the computational framework features a non-Newtonian viscosity model for blood, the oxygen transport model including in oxygen-hemoglobin dissociation and wall flux due to tissue absorption, as well as an ability to study the diffusion of drugs and other materials in the capillary streams. Finally, a chemical kinetic mechanism of JP-10 has been compiled and validated for a wide range of combustion regimes, covering pressures of 1atm to 40atm with temperature ranges of 1,200 K--1,700 K, which is being studied as a possible Jet propellant for the Pulse Detonation Engine (PDE) and other high-speed flight applications such as hypersonic

Investigation of Na-CO2 Reaction with Initial Reaction in Various Reacting Surface

International Nuclear Information System (INIS)

Kim, Hyun Su; Park, Gunyeop; Kim, Soo Jae; Park, Hyun Sun; Kim, Moo Hwan; Wi, Myung-Hwan

2015-01-01

The reaction products that cause oxidation and erosion are threaten the heat transfer tubes so that it is necessary to investigate Na-CO 2 reaction according to various experimental parameter. Unlike SWR, Na-CO 2 reaction is more complex to deal with reaction kinetics. Since a comprehensive understanding of Na-CO 2 reaction mechanism is crucial for the safety analysis, the reaction phenomenon under the various conditions was investigated. The current issue is to make a database for developing computational code for CO 2 gas leak situation because it is experimentally difficult to analyze the actual accident situation. Most studies on Na-CO 2 interaction reports that chemical reaction is getting vigorous as temperature increased and reactivity is sensitive as temperature change between 400 .deg. C and 600 .deg. C. Therefore, temperature range is determined based on the operating condition (450 - 500 .deg. C) of KALIMER-600 employed as supercritical CO 2 brayton cycle energy conversion system for Na-CO 2 heat exchanger. And next parameter is sodium surface area which contact between sodium and CO 2 when CO 2 is injected into sodium pool in the accident situation. So, the fundamental surface reaction is experimentally studied in the range of 8 - 12cm 2 . Additionally, it has been reported in recent years that CO 2 Flow rate affects reactivity less significantly and CO 2 flow rate is assumed that 5 SLPM (standard liter per minute) is suitable as a basis for a small leakage. The finally selected control parameters is sodium temperature and reacting surface area with constant CO 2 flow rate. Na-CO 2 reaction test is performed for investigating risk of potential accident which contacts with liquid sodium and CO 2 . Amount of reaction is saturated as time passed because of kept a balance between production of solid phase reaction products and amount of diffusivity. These results contribute to make a database for the SFR safety analysis and additional experiments are needed

Theoretical considerations of Flow Injection Analysis in the Absence of Chemical Reactions

DEFF Research Database (Denmark)

Andersen, Jens Enevold Thaulov

2000-01-01

The fundamental mechanism of flow injection analysis (FIA) is assumed to be simple dissusion and the response of the detector is included in a model description that provide information about the shape of the FIA peak in terms of, basically, five parameters. Two of the five parameters are associa...... that any deviation from the features of the present model and the results of a tentative chemical reaction with one of the test compounds, is related to chemical kinetics.......The fundamental mechanism of flow injection analysis (FIA) is assumed to be simple dissusion and the response of the detector is included in a model description that provide information about the shape of the FIA peak in terms of, basically, five parameters. Two of the five parameters...

Small organic molecule based flow battery

Science.gov (United States)

Huskinson, Brian; Marshak, Michael; Aziz, Michael J.; Gordon, Roy G.; Betley, Theodore A.; Aspuru-Guzik, Alan; Er, Suleyman; Suh, Changwon

2018-05-08

The invention provides an electrochemical cell based on a new chemistry for a flow battery for large scale, e.g., gridscale, electrical energy storage. Electrical energy is stored chemically at an electrochemical electrode by the protonation of small organic molecules called quinones to hydroquinones. The proton is provided by a complementary electrochemical reaction at the other electrode. These reactions are reversed to deliver electrical energy. A flow battery based on this concept can operate as a closed system. The flow battery architecture has scaling advantages over solid electrode batteries for large scale energy storage.

Non-Archimedean reaction-ultradiffusion equations and complex hierarchic systems

Science.gov (United States)

Zúñiga-Galindo, W. A.

2018-06-01

We initiate the study of non-Archimedean reaction-ultradiffusion equations and their connections with models of complex hierarchic systems. From a mathematical perspective, the equations studied here are the p-adic counterpart of the integro-differential models for phase separation introduced by Bates and Chmaj. Our equations are also generalizations of the ultradiffusion equations on trees studied in the 1980s by Ogielski, Stein, Bachas, Huberman, among others, and also generalizations of the master equations of the Avetisov et al models, which describe certain complex hierarchic systems. From a physical perspective, our equations are gradient flows of non-Archimedean free energy functionals and their solutions describe the macroscopic density profile of a bistable material whose space of states has an ultrametric structure. Some of our results are p-adic analogs of some well-known results in the Archimedean setting, however, the mechanism of diffusion is completely different due to the fact that it occurs in an ultrametric space.

A frame work for heat generation/absorption and modified homogeneous–heterogeneous reaction in flow based on non-Darcy–Forchheimer medium

Directory of Open Access Journals (Sweden)

Tasawar Hayat

2018-04-01

Full Text Available The present work aims to report the consequences of Darcy–Forchheimer medium in flow of Cross fluid model toward a stretched surface. Flow in porous space is categorized by Darcy–Forchheimer medium. Further heat transfer characteristics are examined via thermal radiation and heat generation/absorption. Transformation procedure is used. The arising system of nonlinear ordinary differential equations is solved numerically by means of shooting method. The effects of different flow variables on velocity, temperature, concentration, skin friction, and heat transfer rate are discussed. The obtained outcomes show that velocity was enhanced with the increase in the Weissenberg number but decays with increase in the porosity parameter and Hartman number. Temperature field is boosted by thermal radiation and heat generation; however, it decays with the increase in the Prandtl number. Keywords: Cross Fluid, Heat Generation/Absorption, Homogeneous–Heterogeneous Reactions, Non-Darcy–Forchheimer Medium, Thermal Radiation

Finite-time barriers to reaction front propagation

Science.gov (United States)

Locke, Rory; Mahoney, John; Mitchell, Kevin

2015-11-01

Front propagation in advection-reaction-diffusion systems gives rise to rich geometric patterns. It has been shown for time-independent and time-periodic fluid flows that invariant manifolds, termed burning invariant manifolds (BIMs), serve as one-sided dynamical barriers to the propagation of reaction front. More recently, theoretical work has suggested that one-sided barriers, termed burning Lagrangian Coherent structures (bLCSs), exist for fluid velocity data prescribed over a finite time interval, with no assumption on the time-dependence of the flow. In this presentation, we use a time-varying fluid ``wind'' in a double-vortex channel flow to demonstrate that bLCSs form the (locally) most attracting or repelling fronts.

Bubble-free on-chip continuous-flow polymerase chain reaction: concept and application.

Science.gov (United States)

Wu, Wenming; Kang, Kyung-Tae; Lee, Nae Yoon

2011-06-07

Bubble formation inside a microscale channel is a significant problem in general microfluidic experiments. The problem becomes especially crucial when performing a polymerase chain reaction (PCR) on a chip which is subject to repetitive temperature changes. In this paper, we propose a bubble-free sample injection scheme applicable for continuous-flow PCR inside a glass/PDMS hybrid microfluidic chip, and attempt to provide a theoretical basis concerning bubble formation and elimination. Highly viscous paraffin oil plugs are employed in both the anterior and posterior ends of a sample plug, completely encapsulating the sample and eliminating possible nucleation sites for bubbles. In this way, internal channel pressure is increased, and vaporization of the sample is prevented, suppressing bubble formation. Use of an oil plug in the posterior end of the sample plug aids in maintaining a stable flow of a sample at a constant rate inside a heated microchannel throughout the entire reaction, as compared to using an air plug. By adopting the proposed sample injection scheme, we demonstrate various practical applications. On-chip continuous-flow PCR is performed employing genomic DNA extracted from a clinical single hair root sample, and its D1S80 locus is successfully amplified. Also, chip reusability is assessed using a plasmid vector. A single chip is used up to 10 times repeatedly without being destroyed, maintaining almost equal intensities of the resulting amplicons after each run, ensuring the reliability and reproducibility of the proposed sample injection scheme. In addition, the use of a commercially-available and highly cost-effective hot plate as a potential candidate for the heating source is investigated.

Field and laboratory emission cell automation and control system for investigating surface chemistry reactions

Science.gov (United States)

Flemmer, Michael M.; Ham, Jason E.; Wells, J. R.

2007-01-01

A novel system [field and laboratory emission cell (FLEC) automation and control system] has been developed to deliver ozone to a surface utilizing the FLEC to simulate indoor surface chemistry. Ozone, humidity, and air flow rate to the surface were continuously monitored using an ultraviolet ozone monitor, humidity, and flow sensors. Data from these sensors were used as feedback for system control to maintain predetermined experimental parameters. The system was used to investigate the chemistry of ozone with α-terpineol on a vinyl surface over 72h. Keeping all other experimental parameters the same, volatile organic compound emissions from the vinyl tile with α-terpineol were collected from both zero and 100ppb(partsper109) ozone exposures. System stability profiles collected from sensor data indicated experimental parameters were maintained to within a few percent of initial settings. Ozone data from eight experiments at 100ppb (over 339h) provided a pooled standard deviation of 1.65ppb and a 95% tolerance of 3.3ppb. Humidity data from 17 experiments at 50% relative humidity (over 664h) provided a pooled standard deviation of 1.38% and a 95% tolerance of 2.77%. Data of the flow rate of air flowing through the FLEC from 14 experiments at 300ml/min (over 548h) provided a pooled standard deviation of 3.02ml/min and a 95% tolerance range of 6.03ml/min. Initial experimental results yielded long term emissions of ozone/α-terpineol reaction products, suggesting that surface chemistry could play an important role in indoor environments.

Flow chemistry vs. flow analysis.

Science.gov (United States)

Trojanowicz, Marek

2016-01-01

The flow mode of conducting chemical syntheses facilitates chemical processes through the use of on-line analytical monitoring of occurring reactions, the application of solid-supported reagents to minimize downstream processing and computerized control systems to perform multi-step sequences. They are exactly the same attributes as those of flow analysis, which has solid place in modern analytical chemistry in several last decades. The following review paper, based on 131 references to original papers as well as pre-selected reviews, presents basic aspects, selected instrumental achievements and developmental directions of a rapidly growing field of continuous flow chemical synthesis. Interestingly, many of them might be potentially employed in the development of new methods in flow analysis too. In this paper, examples of application of flow analytical measurements for on-line monitoring of flow syntheses have been indicated and perspectives for a wider application of real-time analytical measurements have been discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

Flow energy conversion system

International Nuclear Information System (INIS)

Sargsyan, R.A.

2011-01-01

A cost-effective hydropower system called here Flow Energy Converter was developed, patented, manufactured and tested for water pumping, electricity generation and other purposes especially useful for the rural communities. The system consists of water-driven turbine with plane-surface blades, power transmission means and pump and/or generator. Working sample of the Flow Energy Converter was designed and manufactured at the Institute of Radio Physics and Electronics

Fluorescent multiplex cell flow systems and methods

KAUST Repository

Merzaban, Jasmeen

2017-06-01

Systems and methods are provided for simultaneously assaying cell adhesion or cell rolling for multiple cell specimens. One embodiment provides a system for assaying adhesion or cell rolling of multiple cell specimens that includes a confocal imaging system containing a parallel plate flow chamber, a pump in fluid communication with the parallel plate flow chamber via a flow chamber inlet line and a cell suspension in fluid communication with the parallel plate flow chamber via a flow chamber outlet line. The system also includes a laser scanning system in electronic communication with the confocal imaging system, and a computer in communication with the confocal imaging system and laser scanning system. In certain embodiments, the laser scanning system emits multiple electromagnetic wavelengths simultaneously it cause multiple fluorescent labels having different excitation wavelength maximums to fluoresce. The system can simultaneously capture real-time fluorescence images from at least seven cell specimens in the parallel plate flow chamber.

Analysis of activation energy in Couette-Poiseuille flow of nanofluid in the presence of chemical reaction and convective boundary conditions

Science.gov (United States)

Zeeshan, A.; Shehzad, N.; Ellahi, R.

2018-03-01

The motivation of the current article is to explore the energy activation in MHD radiative Couette-Poiseuille flow nanofluid in horizontal channel with convective boundary conditions. The mathematical model of Buongiorno [1] effectively describes the current flow analysis. Additionally, the impact of chemical reaction is also taken in account. The governing flow equations are simplified with the help of boundary layer approximations. Non-linear coupled equations for momentum, energy and mass transfer are tackled with analytical (HAM) technique. The influence of dimensionless convergence parameter like Brownian motion parameter, radiation parameter, buoyancy ratio parameter, dimensionless activation energy, thermophoresis parameter, temperature difference parameter, dimensionless reaction rate, Schmidt number, Brinkman number, Biot number and convection diffusion parameter on velocity, temperature and concentration profiles are discussed graphically and in tabular form. From the results, it is elaborate that the nanoparticle concentration is directly proportional to the chemical reaction with activation energy and the performance of Brownian motion on nanoparticle concentration gives reverse pattern to that of thermophoresis parameter.

Kinetics of ion/molecule reactions in Xe++acteone system

International Nuclear Information System (INIS)

Vinogradov, P.S.; Misharin, A.S.

2002-01-01

A reaction of Xe+ ion with acetone and subsequent transformations of the product ions at a buffer gas pressure (He) of 1.1 Torr were studied by the flow reactor technique mass spectrometry. A kinetic scheme describing the evolution of the ionic composition has been determined. The rate constants of the key reactions involved in the scheme have been evaluated. A channel of the production of acetone cation in A state in a charge transfer reaction was observed. A production of slowly reacting isomer of the acetone cation in secondary reactions was detected. Its product in the reaction with acetone is the 'nonprotonated dimer'. The kinetics of the production of ternary ions - ( CH 3 CO + CH 3 COCH 3 )(m/e=101), CH 3 COCH 3 H + (m/e=59) as well as the production of ions of the fourth generation ( CH 3 CO + (CH 3 COCH 3 ) 2 ) (m/e=159) and (CH 3 COCH 3 ) 2 H + was observed. CH 3 CO + ion (m/e=43) was found as the main reaction product. The main pathways scheme of ionic transformations is shown. (nevyjel)

Periosteal reaction in systemic lupus erythematosus

International Nuclear Information System (INIS)

Glickstein, M.; Neustadter, L.; Dalinka, M.; Kricun, M.

1986-01-01

The authors report three patients with systemic lupus erythematosus and periosteal reaction. Two of the three cases had systemic vasculitis and the third had local ischemia with ischemic necrosis. (orig.)

Effects of mass transfer on MHD flow of casson fluid with chemical reaction and suction

Directory of Open Access Journals (Sweden)

S. A. Shehzad

2013-03-01

Full Text Available Effect of mass transfer in the magnetohydrodynamic flow of a Casson fluid over a porous stretching sheet is addressed in the presence of a chemical reaction. A series solution for the resulting nonlinear flow is computed. The skin friction coefficient and local Sherwood number are analyzed through numerical values for various parameters of interest. The velocity and concentration fields are illustrated for several pertinent flow parameters. We observed that the Casson parameter and Hartman number have similar effects on the velocity in a qualitative sense. We further analyzed that the concentration profile decreases rapidly in comparison to the fluid velocity when we increased the values of the suction parameter.

Boundary-layer development and transition due to free-stream exothermic reactions in shock-induced flows

Science.gov (United States)

Hall, J. L.

1974-01-01

A study of the effect of free-stream thermal-energy release from shock-induced exothermic reactions on boundary-layer development and transition is presented. The flow model is that of a boundary layer developing behind a moving shock wave in two-dimensional unsteady flow over a shock-tube wall. Matched sets of combustible hydrogen-oxygen-nitrogen mixtures and inert hydrogen-nitrogen mixtures were used to obtain transition data over a range of transition Reynolds numbers from 1,100,000 to 21,300,000. The heat-energy is shown to significantly stabilize the boundary layer without changing its development character. A method for application of this data to flat-plate steady flows is included.

Mass transfer with chemical reaction in multiphase systems

International Nuclear Information System (INIS)

Alper, E.

1983-01-01

These volumes deal with the phenomenon of 'mass transfer with chemical reaction' which is of industrial, biological and physiological importance. In process engineering, it is encountered both in separation processes and in reaction engineering and both aspects are covered here in four sections: introduction; gas-liquid system; liquid-liquid system; and gas-liquid-solid system

Free convective heat transfer with hall effects, heat absorption and chemical reaction over an accelerated moving plate in a rotating system

Energy Technology Data Exchange (ETDEWEB)

Hussain, S.M., E-mail: hussain.modassir@yahoo.com [Department of Mathematics, OP Jindal University, Raigarh 496109 (India); Jain, J., E-mail: jj.28481@gmail.com [Department of Mathematics, OP Jindal University, Raigarh 496109 (India); Seth, G.S., E-mail: gsseth_ism@yahoo.com [Department of Applied Mathematics, Indian School of Mines, Dhanbad 826004 (India); Rashidi, M.M., E-mail: mm_rashidi@yahoo.com [Shanghai Key Lab of Vehicle Aerodynamics and Vehicle Thermal Management System, Tongji University, Shanghai 201804 (China)

2017-01-15

The unsteady MHD free convective heat and mass transfer flow of an electrically conducting, viscous and incompressible fluid over an accelerated moving vertical plate in the presence of heat absorption and chemical reaction with ramped temperature and ramped surface concentration through a porous medium in a rotating system is studied, taking Hall effects into account. The governing equations are solved analytically with the help of Laplace transform technique. The unified closed-form expressions are obtained for fluid velocity, fluid temperature, species concentration, skin friction, Nusselt number and Sherwood numbers. The effects of various parameters on fluid velocity, fluid temperature and species concentration are discussed by graphs whereas numerical values of skin friction, Nusselt and Sherwood numbers are presented in tabular form for different values of pertinent flow parameters. The numerical results are also compared with free convective flow near ramped temperature plate with ramped surface concentration with the corresponding flow near isothermal plate with uniform surface concentration. - Highlights: • Magnetic field, Hall current, rotation and chemical reaction play vital role on flow field. • Hall current tends to accelerate secondary fluid velocity in the boundary layer region. • Rotation tends to retard primary fluid velocity throughout the boundary layer region. • Rotation and chemical reaction tend to enhance primary skin friction. • Solutal buoyancy force and permeability of medium reduce primary skin friction.

Flow Battery System Design for Manufacturability.

Energy Technology Data Exchange (ETDEWEB)

Montoya, Tracy Louise; Meacham, Paul Gregory; Perry, David; Broyles, Robin S.; Hickey, Steven; Hernandez, Jacquelynne

2014-10-01

Flow battery energy storage systems can support renewable energy generation and increase energy efficiency. But, presently, the costs of flow battery energy storage systems can be a significant barrier for large-scale market penetration. For cost- effective systems to be produced, it is critical to optimize the selection of materials and components simultaneously with the adherence to requirements and manufacturing processes to allow these batteries and their manufacturers to succeed in the market by reducing costs to consumers. This report analyzes performance, safety, and testing requirements derived from applicable regulations as well as commercial and military standards that would apply to a flow battery energy storage system. System components of a zinc-bromine flow battery energy storage system, including the batteries, inverters, and control and monitoring system, are discussed relative to manufacturing. The issues addressed include costs and component availability and lead times. A service and support model including setup, maintenance and transportation is outlined, along with a description of the safety-related features of the example flow battery energy storage system to promote regulatory and environmental, safety, and health compliance in anticipation of scale manufacturing.

Optimization of information content in a mass spectrometry based flow-chemistry system by investigating different ionization approaches.

Science.gov (United States)

Martha, Cornelius T; Hoogendoorn, Jan-Carel; Irth, Hubertus; Niessen, Wilfried M A

2011-05-15

Current development in catalyst discovery includes combinatorial synthesis methods for the rapid generation of compound libraries combined with high-throughput performance-screening methods to determine the associated activities. Of these novel methodologies, mass spectrometry (MS) based flow chemistry methods are especially attractive due to the ability to combine sensitive detection of the formed reaction product with identification of introduced catalyst complexes. Recently, such a mass spectrometry based continuous-flow reaction detection system was utilized to screen silver-adducted ferrocenyl bidentate catalyst complexes for activity in a multicomponent synthesis of a substituted 2-imidazoline. Here, we determine the merits of different ionization approaches by studying the combination of sensitive detection of product formation in the continuous-flow system with the ability to simultaneous characterize the introduced [ferrocenyl bidentate+Ag](+) catalyst complexes. To this end, we study the ionization characteristics of electrospray ionization (ESI), atmospheric-pressure chemical ionization (APCI), no-discharge APCI, dual ESI/APCI, and dual APCI/no-discharge APCI. Finally, we investigated the application potential of the different ionization approaches by the investigation of ferrocenyl bidentate catalyst complex responses in different solvents. Copyright © 2011 Elsevier B.V. All rights reserved.

Group Analysis of Free Convection Flow of a Magnetic Nanofluid with Chemical Reaction

Directory of Open Access Journals (Sweden)

Md. Jashim Uddin

2015-01-01

Full Text Available A theoretical study of two-dimensional magnetohydrodynamics viscous incompressible free convective boundary layer flow of an electrically conducting, chemically reacting nanofluid from a convectively heated permeable vertical surface is presented. Scaling group of transformations is used in the governing equations and the boundary conditions to determine absolute invariants. A third-order ordinary differential equation which corresponds to momentum conservation and two second-order ordinary differential equations which correspond to energy and nanoparticle volume fraction (species conservation are derived. Our (group analysis indicates that, for the similarity solution, the convective heat transfer coefficient and mass transfer velocity are proportional to x-1/4 whilst the reaction rate is proportional to x-1/2, where x is the axial distance from the leading edge of the plate. The effects of the relevant controlling parameters on the dimensionless velocity, temperature, and nanoparticle volume fraction are examined. The accuracy of the technique we have used was tested by performing comparisons with the results of published work and the results were found to be in good agreement. The present computations indicate that the flow is accelerated and temperature enhanced whereas nanoparticle volume fractions are decreased with increasing order of chemical reaction. Furthermore the flow is strongly decelerated, whereas the nanoparticle volume fraction and temperature are enhanced with increasing magnetic field parameter. Increasing convection-conduction parameter increases velocity and temperatures but has a weak influence on nanoparticle volume fraction distribution. The present study demonstrates the thermal enhancement achieved with nanofluids and also magnetic fields and is of relevance to nanomaterials processing.

Probabilistic sensitivity analysis of biochemical reaction systems.

Science.gov (United States)

Zhang, Hong-Xuan; Dempsey, William P; Goutsias, John

2009-09-07

Sensitivity analysis is an indispensable tool for studying the robustness and fragility properties of biochemical reaction systems as well as for designing optimal approaches for selective perturbation and intervention. Deterministic sensitivity analysis techniques, using derivatives of the system response, have been extensively used in the literature. However, these techniques suffer from several drawbacks, which must be carefully considered before using them in problems of systems biology. We develop here a probabilistic approach to sensitivity analysis of biochemical reaction systems. The proposed technique employs a biophysically derived model for parameter fluctuations and, by using a recently suggested variance-based approach to sensitivity analysis [Saltelli et al., Chem. Rev. (Washington, D.C.) 105, 2811 (2005)], it leads to a powerful sensitivity analysis methodology for biochemical reaction systems. The approach presented in this paper addresses many problems associated with derivative-based sensitivity analysis techniques. Most importantly, it produces thermodynamically consistent sensitivity analysis results, can easily accommodate appreciable parameter variations, and allows for systematic investigation of high-order interaction effects. By employing a computational model of the mitogen-activated protein kinase signaling cascade, we demonstrate that our approach is well suited for sensitivity analysis of biochemical reaction systems and can produce a wealth of information about the sensitivity properties of such systems. The price to be paid, however, is a substantial increase in computational complexity over derivative-based techniques, which must be effectively addressed in order to make the proposed approach to sensitivity analysis more practical.

Parametric spatiotemporal oscillation in reaction-diffusion systems.

Science.gov (United States)

Ghosh, Shyamolina; Ray, Deb Shankar

2016-03-01

We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

Two-phase flow in refrigeration systems

CERN Document Server

Gu, Junjie; Gan, Zhongxue

2013-01-01

Two-Phase Flow in Refrigeration Systems presents recent developments from the authors' extensive research programs on two-phase flow in refrigeration systems. This book covers advanced mass and heat transfer and vapor compression refrigeration systems and shows how the performance of an automotive air-conditioning system is affected through results obtained experimentally and theoretically, specifically with consideration of two-phase flow and oil concentration. The book is ideal for university postgraduate students as a textbook, researchers and professors as an academic reference book, and b

Bunsen Reaction using a HIx Solution (HI-I2-H2O with Countercurrent Flow for Sulfur-Iodine Hydrogen Production Process

Directory of Open Access Journals (Sweden)

Kim Hyo-Sub

2016-01-01

Full Text Available In the sulfur-iodine hydrogen production process, the Bunsen reaction is a crucial section because of the linkage with the H2SO4 and HI decomposition sections. The HIx solution (HI-I2-H2O mixture was fed to the Bunsen reaction section as a reactant from the HI decomposition section. In this study, the Bunsen reaction using the HIx solution with countercurrent flow was performed. The production rate of HIx phase solution increased while that of H2SO4 phase solution was maintained constant when increasing the flow rate of HIx solution. As the SO2 flow rate increased, the production rates of H2SO4 and HIx phase solutions increased. The amount of resultant H2SO4 phase was very lower than that of resultant HIx phase under the conditions examined in this study.

Design, construction and implementation of a packed reactor system to study the production of hydrogen by the catalytic reaction of reforming of oxygenated hydrocarbons

International Nuclear Information System (INIS)

Salas Aguilar, Cesar Augusto

2014-01-01

The Laboratorio de Quimica Inorganica of the Universidad de Costa Rica has evaluated the performance of several types of catalysts and supports in steam reforming reactions, using different conditions for synthesis of the same. The construction of a reaction system at laboratory scale is described to improve the conditions of the reforming process compared to previous projects. Catalysts synthesized and characterized are used but providing better disposal through a packed bed reactor. The system has had the necessary instrumentation for proper measurement of the temperature at the entrance and inside the reactor, proper feeding of reactants, flow measurement and sampling and measurement system. The conceptual design of the reactions system presented has taken into account the income of reactants through a peristaltic pump, preheating or vaporization of reagents, income and measurement of carrier gas sampling, take of sampling, flow measurement product, reactor packed and cooler product. The order of each stage is defined and positioning in the entire system. The design of a preheater and a tubular reactor is detailed, taking into account the dimensions and construction materials of each of the pieces. The design is presented in a series of diagrams and then the result of the construction is illustrated by photographs, all work done also has been described. The implementation of the system has described by the coupling of all parties and the respective tests. A basic experimental plan is presented to evaluate the performance of the reaction system, using glycerin as a reactant, demonstrating ability to react and take effective data. Four experiments are performed: vacuum reactor, packed reactor with two types of filling and reactor with an exposed surface cobalt oxide (II) reduced, the gases produced in the reaction are analyzed by gas chromatography. The results are discussed and analyzed, focusing on the overall selectivity of hydrogen relative to methane, and the

Radiative flow of Carreau liquid in presence of Newtonian heating and chemical reaction

Science.gov (United States)

Hayat, T.; Ullah, Ikram; Ahmad, B.; Alsaedi, A.

Objective of this article is to investigate the magnetohydrodynamic (MHD) boundary layer stretched flow of Carreau fluid in the presence of Newtonian heating. Sheet is presumed permeable. Analysis is studied in the presence of chemical reaction and thermal radiation. Mathematical formulation is established by using the boundary layer approximations. The resultant nonlinear flow analysis is computed for the convergent solutions. Interval of convergence via numerical data and plots are obtained and verified. Impact of numerous pertinent variables on the velocity, temperature and concentration is outlined. Numerical data for surface drag coefficient, surface heat transfer (local Nusselt number) and mass transfer (local Sherwood number) is executed and inspected. Comparison of skin friction coefficient in limiting case is made for the verification of current derived solutions.

The disappearance of flow

International Nuclear Information System (INIS)

Soff, S.; Hartnack, C.; Stoecker, H.; Greiner, W.

1995-01-01

We investigate the disappearance of collective flow in the reaction plane in heavy-ion collisions within a microscopic model (QMD). A systematic study of the impact parameter dependence is performed for the system Ca+Ca. The balance energy strongly increases with impact parameter. Momentum dependent interactions reduce the balance energies for intermediate impact parameters b∼4.5 fm. Dynamical negative flow is not visible in the laboratory frame but does exist in the contact frame for the heavy system Au+Au. For semi-peripheral collisions of Ca+Ca with b∼6.5 fm a new two-component flow is discussed. Azimuthal distributions exhibit strong collectiv flow signals, even at the balance energy. (orig.)

A Review of Study on Thermal Energy Transport System by Synthesis and Decomposition Reactions of Methanol

Science.gov (United States)

Liu, Qiusheng; Yabe, Akira; Kajiyama, Shiro; Fukuda, Katsuya

The study on thermal energy transport system by synthesis and decomposition reactions of methanol was reviewed. To promote energy conservation and global environment protection, a two-step liquid-phase methanol synthesis process, which starts with carbonylation of methanol to methyl formate, then followed by the hydrogenolysis of the formate, was studied to recover wasted or unused discharged heat from industrial sources for the thermal energy demands of residential and commercial areas by chemical reactions. The research and development of the system were focused on the following three points. (1) Development of low-temperature decomposition and synthetic catalysts, (2) Development of liquid phase reactor (heat exchanger accompanying chemical reaction), (3) Simulation of the energy transport efficiency of entire system which contains heat recovery and supply sections. As the result of the development of catalyst, promising catalysts which agree with the development purposes for the methyl formate decomposition reaction and the synthetic reaction are being developed though some studies remain for the methanol decomposition and synthetic reactions. In the fundamental development of liquid phase reactor, the solubilities of CO and H2 gases in methanol and methyl formate were measured by the method of total pressure decrease due to absorption under pressures up to 1500kPa and temperatures up to 140°C. The diffusivity of CO gas in methanol was determined by measuring the diameter and solution time of single CO bubbles in methanol. The chemical reaction rate of methanol synthesis by hydrogenolysis of methyl formate was measured using a plate-type of Raney copper catalyst in a reactor with rectangular channel and in an autoclave reactor. The reaction characteristics were investigated by carrying out the experiments at various temperatures, flow rates and at various catalyst development conditions. We focused on the effect of Raney copper catalyst thickness on the liquid

Flow and transport in hierarchically fractured systems

International Nuclear Information System (INIS)

Karasaki, K.

1993-01-01

Preliminary results indicate that flow in the saturated zone at Yucca Mountain is controlled by fractures. A current conceptual model assumes that the flow in the fracture system can be approximately by a three-dimensionally interconnected network of linear conduits. The overall flow system of rocks at Yucca Mountain is considered to consist of hierarchically structured heterogeneous fracture systems of multiple scales. A case study suggests that it is more appropriate to use the flow parameters of the large fracture system for predicting the first arrival time, rather than using the bulk average parameters of the total system

ETL 1 kW redox flow cell

International Nuclear Information System (INIS)

Nozaki, K.; Ozawa, T.

1984-01-01

A 1 kW scale redox flow cell system was set up in the laboratory (ETL), while three different types of batteries were also assembled by private companies in early 1983. In this article, this cell system is described. The concept of a modern type redox flow cell is based on a couple of fully soluble redox ions and a highly selective ion-exchange membrane. In the cell, the redox ion stored in a tank is flowed to and reduced on the electrode, while the other ion is also flowed to and oxidized on the other electrode. This electrochemical reaction produces electronic current in the external circuit and ionic current through the membrane sandwiched as a separator between the two electrodes. The reverse reaction proceeds in the charging process. In ETL, the concept was preliminarily tested, and conceptual design and cost estimation of the redox flow cells were carried out to confirm the feasibility; the R and D started on these bases in 1975

A lateral flow biosensor for detection of single nucleotide polymorphism by circular strand displacement reaction.

Science.gov (United States)

Xiao, Zhuo; Lie, Puchang; Fang, Zhiyuan; Yu, Luxin; Chen, Junhua; Liu, Jie; Ge, Chenchen; Zhou, Xuemeng; Zeng, Lingwen

2012-09-04

A lateral flow biosensor for detection of single nucleotide polymorphism based on circular strand displacement reaction (CSDPR) has been developed. Taking advantage of high fidelity of T4 DNA ligase, signal amplification by CSDPR, and the optical properties of gold nanoparticles, this assay has reached a detection limit of 0.01 fM.

Propagating fronts in reaction-transport systems with memory

Energy Technology Data Exchange (ETDEWEB)

Yadav, A. [Department of Chemistry, Southern Methodist University, Dallas, TX 75275-0314 (United States)], E-mail: ayadav1@lsu.edu; Fedotov, Sergei [School of Mathematics, University of Manchester, Manchester M60 1DQ (United Kingdom)], E-mail: sergei.fedotov@manchester.ac.uk; Mendez, Vicenc [Grup de Fisica Estadistica, Departament de Fisica, Universitat Autonoma de Barcelona, E-08193 Bellaterra (Spain)], E-mail: vicenc.mendez@uab.es; Horsthemke, Werner [Department of Chemistry, Southern Methodist University, Dallas, TX 75275-0314 (United States)], E-mail: whorsthe@smu.edu

2007-11-26

In reaction-transport systems with non-standard diffusion, the memory of the transport causes a coupling of reactions and transport. We investigate the effect of this coupling for systems with Fisher-type kinetics and obtain a general analytical expression for the front speed. We apply our results to the specific case of subdiffusion.

Radial flow in 40Ar+45Sc reactions at E=35-115 MeV/nucleon

Science.gov (United States)

Pak, R.; Craig, D.; Gualtieri, E. E.; Hannuschke, S. A.; Lacey, R. A.; Lauret, J.; Llope, W. J.; Stone, N. T. B.; Vander Molen, A. M.; Westfall, G. D.; Yee, J.

1996-10-01

Collective radial flow of light fragments from 40Ar+45Sc reactions at beam energies between 35 and 115 MeV/nucleon has been investigated using the Michigan State University 4π Array. The mean transverse kinetic energy of the different fragment types increases with event centrality and increases as a function of the incident beam energy. Comparison of our measured values of shows agreement with predictions of Boltzmann-Uehling-Uhlenbeck model and WIX multifragmentation model calculations. The radial flow extracted from accounts for approximately half of the emitted particle's energy for the heavier fragments (Z>=4) at the highest beam energy studied.

Investigation of Na-CO{sub 2} Reaction with Initial Reaction in Various Reacting Surface

Energy Technology Data Exchange (ETDEWEB)

Kim, Hyun Su; Park, Gunyeop; Kim, Soo Jae; Park, Hyun Sun; Kim, Moo Hwan [POSTECH, Pohang (Korea, Republic of); Wi, Myung-Hwan [KAERI, Daejeon (Korea, Republic of)

2015-10-15

The reaction products that cause oxidation and erosion are threaten the heat transfer tubes so that it is necessary to investigate Na-CO{sub 2} reaction according to various experimental parameter. Unlike SWR, Na-CO{sub 2} reaction is more complex to deal with reaction kinetics. Since a comprehensive understanding of Na-CO{sub 2} reaction mechanism is crucial for the safety analysis, the reaction phenomenon under the various conditions was investigated. The current issue is to make a database for developing computational code for CO{sub 2} gas leak situation because it is experimentally difficult to analyze the actual accident situation. Most studies on Na-CO{sub 2} interaction reports that chemical reaction is getting vigorous as temperature increased and reactivity is sensitive as temperature change between 400 .deg. C and 600 .deg. C. Therefore, temperature range is determined based on the operating condition (450 - 500 .deg. C) of KALIMER-600 employed as supercritical CO{sub 2} brayton cycle energy conversion system for Na-CO{sub 2} heat exchanger. And next parameter is sodium surface area which contact between sodium and CO{sub 2} when CO{sub 2} is injected into sodium pool in the accident situation. So, the fundamental surface reaction is experimentally studied in the range of 8 - 12cm{sup 2}. Additionally, it has been reported in recent years that CO{sub 2} Flow rate affects reactivity less significantly and CO{sub 2} flow rate is assumed that 5 SLPM (standard liter per minute) is suitable as a basis for a small leakage. The finally selected control parameters is sodium temperature and reacting surface area with constant CO{sub 2} flow rate. Na-CO{sub 2} reaction test is performed for investigating risk of potential accident which contacts with liquid sodium and CO{sub 2}. Amount of reaction is saturated as time passed because of kept a balance between production of solid phase reaction products and amount of diffusivity. These results contribute to make a

Beam formation in molecular flow

International Nuclear Information System (INIS)

Gottwald, B.A.

1974-01-01

Comparison of experimental angular distribution data with theoretical models has show a considerable disagreement with the Clausing model (free molecular flow with diffuse reflexion). For a real system this idealized model has to be modified by taking into consideration possible perturbations of the Clausing flow chemical reactions, surface diffusion and deviations from diffuse reflexion. By comparison with the diffusion differential equation and Monte Carlo stimulations, it has been shown that the iteration of a system of appropriately modified Clausing integral equations is especially suited for solving this complex problem. Suitable characterized parameters for angular distribution data are the beam half-width upsilon 1/2 and the peaking factor chi defined according to Olander and Jones. The computer program in a first step calculates the real steady state of molecular flow. In a second step the computer program calculates the dependence of upsilon 1/2 and chi upon the parameters L/2R (orifice geometry) and m' (order of the surface reaction preceding the desorption from the inner wall of the cylindrical orifice). For the real steady state of molecular flow

Long life reaction control system design

Science.gov (United States)

Fanciullo, Thomas J.; Judd, Craig

1993-02-01

Future single stage to orbit systems will utilize oxygen/hydrogen propellants in their main propulsion means due to the propellant's high energy content and environmental acceptability. Operational effectiveness studies and life cycle cost studies have indicated that minimizing the number of different commodities on a given vehicle not only reduces cost, but reduces the ground span times in both the pre- and postflight operations. Therefore, oxygen and hydrogen should be used for the reaction controls systems, eliminating the need to deal with toxic or corrosive fluids. When the hydrogen scramjet powered NASP design development began in 1985, new system design studies considered overall integration of subsystems; in the context of that approach, O2/H2 reaction controls system were more than competitive with storable propellant systems and had the additional benefits of lower life cycle cost, rapid turnaround times, and O2 and H2 commodities for use throughout the vehicle. Similar benefits were derived in rocket-powered SSTO vehicles.

Aerodynamic Interactions of Propulsive Deceleration and Reaction Control System Jets on Mars-Entry Aeroshells

Science.gov (United States)

Alkandry, Hicham

Future missions to Mars, including sample-return and human-exploration missions, may require alternative entry, descent, and landing technologies in order to perform pinpoint landing of heavy vehicles. Two such alternatives are propulsive deceleration (PD) and reaction control systems (RCS). PD can slow the vehicle during Mars atmospheric descent by directing thrusters into the incoming freestream. RCS can provide vehicle control and steering by inducing moments using thrusters on the hack of the entry capsule. The use of these PD and RCS jets, however, involves complex flow interactions that are still not well understood. The fluid interactions induced by PD and RCS jets for Mars-entry vehicles in hypersonic freestream conditions are investigated using computational fluid dynamics (CFD). The effects of central and peripheral PD configurations using both sonic and supersonic jets at various thrust conditions are examined in this dissertation. The RCS jet is directed either parallel or transverse to the freestream flow at different thrust conditions in order to examine the effects of the thruster orientation with respect to the center of gravity of the aeroshell. The physical accuracy of the computational method is also assessed by comparing the numerical results with available experimental data. The central PD configuration decreases the drag force acting on the entry capsule due to a shielding effect that prevents mass and momentum in the hypersonic freestream from reaching the aeroshell. The peripheral PD configuration also decreases the drag force by obstructing the flow around the aeroshell and creating low surface pressure regions downstream of the PD nozzles. The Mach number of the PD jets, however, does not have a significant effect on the induced fluid interactions. The reaction control system also alters the flowfield, surface, and aerodynamic properties of the aeroshell, while the jet orientation can have a significant effect on the control effectiveness

Boosting Chemical Stability, Catalytic Activity, and Enantioselectivity of Metal-Organic Frameworks for Batch and Flow Reactions.

Science.gov (United States)

Chen, Xu; Jiang, Hong; Hou, Bang; Gong, Wei; Liu, Yan; Cui, Yong

2017-09-27

A key challenge in heterogeneous catalysis is the design and synthesis of heterogeneous catalysts featuring high catalytic activity, selectivity, and recyclability. Here we demonstrate that high-performance heterogeneous asymmetric catalysts can be engineered from a metal-organic framework (MOF) platform by using a ligand design strategy. Three porous chiral MOFs with the framework formula [Mn 2 L(H 2 O) 2 ] are prepared from enantiopure phosphono-carboxylate ligands of 1,1'-biphenol that are functionalized with 3,5-bis(trifluoromethyl)-, bismethyl-, and bisfluoro-phenyl substituents at the 3,3'-position. For the first time, we show that not only chemical stability but also catalytic activity and stereoselectivity of the MOFs can be tuned by modifying the ligand structures. Particularly, the MOF incorporated with -CF 3 groups on the pore walls exhibits enhanced tolerance to water, weak acid, and base compared with the MOFs with -F and -Me groups. Under both batch and flow reaction systems, the CF 3 -containing MOF demonstrated excellent reactivity, selectivity, and recyclability, affording high yields and enantioselectivities for alkylations of indoles and pyrrole with a range of ketoesters or nitroalkenes. In contrast, the corresponding homogeneous catalysts gave low enantioselectivity in catalyzing the tested reactions.

Controlled nitric oxide production via O(1D) + N2O reactions for use in oxidation flow reactor studies

Science.gov (United States)

Lambe, Andrew; Massoli, Paola; Zhang, Xuan; Canagaratna, Manjula; Nowak, John; Daube, Conner; Yan, Chao; Nie, Wei; Onasch, Timothy; Jayne, John; Kolb, Charles; Davidovits, Paul; Worsnop, Douglas; Brune, William

2017-06-01

Oxidation flow reactors that use low-pressure mercury lamps to produce hydroxyl (OH) radicals are an emerging technique for studying the oxidative aging of organic aerosols. Here, ozone (O3) is photolyzed at 254 nm to produce O(1D) radicals, which react with water vapor to produce OH. However, the need to use parts-per-million levels of O3 hinders the ability of oxidation flow reactors to simulate NOx-dependent secondary organic aerosol (SOA) formation pathways. Simple addition of nitric oxide (NO) results in fast conversion of NOx (NO + NO2) to nitric acid (HNO3), making it impossible to sustain NOx at levels that are sufficient to compete with hydroperoxy (HO2) radicals as a sink for organic peroxy (RO2) radicals. We developed a new method that is well suited to the characterization of NOx-dependent SOA formation pathways in oxidation flow reactors. NO and NO2 are produced via the reaction O(1D) + N2O → 2NO, followed by the reaction NO + O3 → NO2 + O2. Laboratory measurements coupled with photochemical model simulations suggest that O(1D) + N2O reactions can be used to systematically vary the relative branching ratio of RO2 + NO reactions relative to RO2 + HO2 and/or RO2 + RO2 reactions over a range of conditions relevant to atmospheric SOA formation. We demonstrate proof of concept using high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) measurements with nitrate (NO3-) reagent ion to detect gas-phase oxidation products of isoprene and α-pinene previously observed in NOx-influenced environments and in laboratory chamber experiments.

Magnetohydrodynamic pump with a system for promoting flow of fluid in one direction

Science.gov (United States)

Lemoff, Asuncion V [Union City, CA; Lee, Abraham P [Irvine, CA

2010-07-13

A magnetohydrodynamic pump for pumping a fluid. The pump includes a microfluidic channel for channeling the fluid, a MHD electrode/magnet system operatively connected to the microfluidic channel, and a system for promoting flow of the fluid in one direction in the microfluidic channel. The pump has uses in the medical and biotechnology industries for blood-cell-separation equipment, biochemical assays, chemical synthesis, genetic analysis, drug screening, an array of antigen-antibody reactions, combinatorial chemistry, drug testing, medical and biological diagnostics, and combinatorial chemistry. The pump also has uses in electrochromatography, surface micromachining, laser ablation, inkjet printers, and mechanical micromilling.

Flow Sharing Systems for Mobile Applications

DEFF Research Database (Denmark)

Andersen, T. O.; Hansen, M. R.; Conrad, Finn

2002-01-01

This contribution reports about some analytical and simulation/experimental studies carried out on different flow control systems for mobile applications with respect to their ability to do flow sharing. All systems have two parallel actuators and are considered regarding functionality...

Analytically solvable models of reaction-diffusion systems

Energy Technology Data Exchange (ETDEWEB)

Zemskov, E P; Kassner, K [Institut fuer Theoretische Physik, Otto-von-Guericke-Universitaet, Universitaetsplatz 2, 39106 Magdeburg (Germany)

2004-05-01

We consider a class of analytically solvable models of reaction-diffusion systems. An analytical treatment is possible because the nonlinear reaction term is approximated by a piecewise linear function. As particular examples we choose front and pulse solutions to illustrate the matching procedure in the one-dimensional case.

Experimental evaluation of improved dual temperature hydrogen isotopic exchange reaction system

International Nuclear Information System (INIS)

Asakura, Yamato; Uchida, Shunsuke

1984-01-01

A proposed dual temperature hydrogen isotopic exchange reaction system between water and hydrogen gas is evaluated experimentally. The proposed system is composed of low temperature co-current reactors for reaction between water mists and hydrogen gas and high temperature co-current reactors for reaction between water vapor and hydrogen gas. Thus, operation is possible under atmospheric pressure with high reaction efficiency. Using the pilot test system which is composed of ten low temperature (30 0 C) reaction units and ten high temperature (200 0 C) reaction units, an experimental separation of deuterium from light water is carried out. The enrichment factor under steady state conditions, its dependency on operating time, and the reaction period necessary to obtain the steady state enrichment factor are determined experimentally and compared with calculations. It is shown that separation ability in a multistage reaction system can be estimated by numerical calculation using actual reaction efficiency in a unit reactor. (author)

Action-reaction based parameters identification and states estimation of flexible systems

OpenAIRE

Khalil, Islam; Kunt, Emrah Deniz; Şabanoviç, Asif; Sabanovic, Asif

2012-01-01

This work attempts to identify and estimate flexible system's parameters and states by a simple utilization of the Action-Reaction law of dynamical systems. Attached actuator to a dynamical system or environmental interaction imposes an action that is instantaneously followed by a dynamical system reaction. The dynamical system's reaction carries full information about the dynamical system including system parameters, dynamics and externally applied forces that arise due to system interaction...

Reaction paths based on mean first-passage times

International Nuclear Information System (INIS)

Park, Sanghyun; Sener, Melih K.; Lu Deyu; Schulten, Klaus

2003-01-01

Finding representative reaction pathways is important for understanding the mechanism of molecular processes. We propose a new approach for constructing reaction paths based on mean first-passage times. This approach incorporates information about all possible reaction events as well as the effect of temperature. As an application of this method, we study representative pathways of excitation migration in a photosynthetic light-harvesting complex, photosystem I. The paths thus computed provide a complete, yet distilled, representation of the kinetic flow of excitation toward the reaction center, thereby succinctly characterizing the function of the system

Use of Isomerization and Hydroisomerization Reactions to Improve the Cold Flow Properties of Vegetable Oil Based Biodiesel

Directory of Open Access Journals (Sweden)

Stephen J. Reaume

2013-01-01

Full Text Available Biodiesel is a promising alternative to petroleum diesel with the potential to reduce overall net CO2 emissions. However, the high cloud point of biodiesel must be reduced when used in cold climates. We report on the use of isomerization and hydroisomerization reactions to reduce the cloud point of eight different fats and oils. Isomerization was carried out at 260 °C and 1.5 MPa H2 pressure utilizing beta zeolite catalyst, while hydroisomerization was carried out at 300 °C and 4.0 MPa H2 pressure utilizing 0.5 wt % Pt-doped beta zeolite catalyst. Reaction products were tested for cloud point and flow properties, in addition to catalyst reusability and energy requirements. Results showed that high unsaturated fatty acid biodiesels increased in cloud point, due to the hydrogenation side reaction. In contrast, low unsaturated fatty acid biodiesels yielded cloud point reductions and overall improvement in the flow properties. A maximum cloud point reduction of 12.9 °C was observed with coconut oil as the starting material. Results of the study have shown that branching can reduce the cloud point of low unsaturated fatty acid content biodiesel.

Radiated chemical reaction impacts on natural convective MHD mass transfer flow induced by a vertical cone

Science.gov (United States)

Sambath, P.; Pullepu, Bapuji; Hussain, T.; Ali Shehzad, Sabir

2018-03-01

The consequence of thermal radiation in laminar natural convective hydromagnetic flow of viscous incompressible fluid past a vertical cone with mass transfer under the influence of chemical reaction with heat source/sink is presented here. The surface of the cone is focused to a variable wall temperature (VWT) and wall concentration (VWC). The fluid considered here is a gray absorbing and emitting, but non-scattering medium. The boundary layer dimensionless equations governing the flow are solved by an implicit finite-difference scheme of Crank-Nicolson which has speedy convergence and stable. This method converts the dimensionless equations into a system of tri-diagonal equations and which are then solved by using well known Thomas algorithm. Numerical solutions are obtained for momentum, temperature, concentration, local and average shear stress, heat and mass transfer rates for various values of parameters Pr, Sc, λ, Δ, Rd are established with graphical representations. We observed that the liquid velocity decreased for higher values of Prandtl and Schmidt numbers. The temperature is boost up for decreasing values of Schimdt and Prandtl numbers. The enhancement in radiative parameter gives more heat to liquid due to which temperature is enhanced significantly.

Modular load flow for restructured power systems

CERN Document Server

Hariharan, M V; Gupta, Pragati P

2016-01-01

In the subject of power systems, authors felt that a re-look is necessary at some conventional methods of analysis. In this book, the authors have subjected the time-honoured load flow to a close scrutiny. Authors have discovered and discussed a new load flow procedure – Modular Load Flow. Modular Load Flow explores use of power – a scalar – as source for electrical circuits which are conventionally analysed by means of phasors – the ac voltages or currents. The method embeds Kirchhoff’s circuit laws as topological property into its scalar equations and results in a unique wonderland where phase angles do not exist! Generators are shown to have their own worlds which can be superimposed to obtain the state of the composite power system. The treatment is useful in restructured power systems where stakeholders and the system operators may desire to know individual generator contributions in line flows and line losses for commercial reasons. Solution in Modular Load Flow consists of explicit expression...

Firefighter Nozzle Reaction

DEFF Research Database (Denmark)

Chin, Selena K.; Sunderland, Peter B.; Jomaas, Grunde

2017-01-01

Nozzle reaction and hose tension are analyzed using conservation of fluid momentum and assuming steady, inviscid flow and a flexible hose in frictionless contact with the ground. An expression that is independent of the bend angle is derived for the hose tension. If this tension is exceeded owing...... to anchor forces, the hose becomes straight. The nozzle reaction is found to equal the jet momentum flow rate, and it does not change when an elbow connects the hose to the nozzle. A forward force must be exerted by a firefighter or another anchor that matches the forward force that the jet would exert...... on a perpendicular wall. Three reaction expressions are derived, allowing it to be determined in terms of hose diameter, jet diameter, flow rate, and static pressure upstream of the nozzle. The nozzle reaction predictions used by the fire service are 56% to 90% of those obtained here for typical firefighting hand...

Computational manipulation of a radiative MHD flow with Hall current and chemical reaction in the presence of rotating fluid

Science.gov (United States)

Alias Suba, Subbu; Muthucumaraswamy, R.

2018-04-01

A numerical analysis of transient radiative MHD(MagnetoHydroDynamic) natural convective flow of a viscous, incompressible, electrically conducting and rotating fluid along a semi-infinite isothermal vertical plate is carried out taking into consideration Hall current, rotation and first order chemical reaction.The coupled non-linear partial differential equations are expressed in difference form using implicit finite difference scheme. The difference equations are then reduced to a system of linear algebraic equations with a tri-diagonal structure which is solved by Thomas Algorithm. The primary and secondary velocity profiles, temperature profile, concentration profile, skin friction, Nusselt number and Sherwood Number are depicted graphically for a range of values of rotation parameter, Hall parameter,magnetic parameter, chemical reaction parameter, radiation parameter, Prandtl number and Schmidt number.It is recognized that rate of heat transfer and rate of mass transfer decrease with increase in time but they increase with increasing values of radiation parameter and Schmidt number respectively.

Nonlinear analysis of a reaction-diffusion system: Amplitude equations

Energy Technology Data Exchange (ETDEWEB)

Zemskov, E. P., E-mail: zemskov@ccas.ru [Russian Academy of Sciences, Dorodnicyn Computing Center (Russian Federation)

2012-10-15

A reaction-diffusion system with a nonlinear diffusion term is considered. Based on nonlinear analysis, the amplitude equations are obtained in the cases of the Hopf and Turing instabilities in the system. Turing pattern-forming regions in the parameter space are determined for supercritical and subcritical instabilities in a two-component reaction-diffusion system.

The incidence and features of systemic reactions to skin prick tests.

Science.gov (United States)

Sellaturay, Priya; Nasser, Shuaib; Ewan, Pamela

2015-09-01

Skin prick testing (SPT) has been regarded as a safe procedure with few systemic reactions. To evaluate the rate of systemic reactions and their associations after SPT in the largest population to date. In this study reactions were recorded prospectively in a specialist UK allergy clinic for 6 years (2007-2013). An estimated 31,000 patients underwent SPT. Twenty-four patients (age range 7 months to 56 years, mean 23.5 years, 17 female patients, 12 with asthma) had systemic reactions. The rate of systemic reactions to SPT was 0.077%. The likely allergens causing the reaction were foods (18; peanut, 7; walnut, 1; Brazil nut, 2; pistachio, 1; lupin, 1; cow's milk, 2; shrimp, 1; spinach, 1; legume, 1; soy, 1), aeroallergens (4; rabbit, 1; rat, 1; ragwort, 1; grass pollen, 1), wasp venom (1), and Tazocin (1). The causative SPT wheal was larger than 8 mm in 75%. The reaction to Tazocin was severe, with anaphylaxis occurring minutes after SPT. Reactions were treated immediately in the clinic and did not require further medical care. In this largest single-center study, the rate of systemic reactions after SPT was 77 per 100,000 patients. It is the first study to identify foods as a common and important cause (75%), with nuts posing the highest risk. This study reports the first systemic reaction to venom SPT and the first anaphylactic reaction after drug SPT. There was an association with a history of severe reactions and large skin test reaction. There are risks, albeit small, when undertaking SPT. Copyright © 2015 American College of Allergy, Asthma & Immunology. Published by Elsevier Inc. All rights reserved.

Evaluation method of corrosive conditions in cooling systems of nuclear power plants by combined analyses of flow dynamics and corrosion

Energy Technology Data Exchange (ETDEWEB)

Uchida, Shunsuke [Nuclear Power Engineering Corporation (NUPEC), Tokyo (Japan); Atomic Energy Society of Japan (AESJ) (Japan). Research Committee on Water Chemistry Standard; Naitoh, Masanori [Nuclear Power Engineering Corporation (NUPEC), Tokyo (Japan); Atomic Energy Society of Japan (AESJ) (Japan). Computational Science and Engineering Div.; Uehara, Yasushi; Okada, Hidetoshi [Nuclear Power Engineering Corporation (NUPEC), Tokyo (Japan); Hotta, Koji [ITOCHU Techno-Solutions Corporation (Japan); Ichikawa, Ryoko [Mizuho Information and Research Inst., Inc. (Japan); Koshizuka, Seiichi [Tokyo Univ. (Japan)

2007-03-15

Problems in major components and structural materials in nuclear power plants have often been caused by flow induced vibration, corrosion and their overlapping effects. In order to establish safe and reliable plant operation, it is necessary to predict future problems for structural materials based on combined analyses of flow dynamics and corrosion and to mitigate them before they become serious issues for plant operation. The analysis models are divided into two types. 1. Prediction models for future problems with structural materials: Distributions of oxidant concentrations along flow paths are obtained by solving water radiolysis reactions in the boiling water reactor (BWR) primary cooling water and hydrazine-oxygen reactions in the pressurized water reactor (PWR) secondary cooling water. Then, the electrochemical corrosion potential (ECP) at the point of interest is also obtained by the mixed potential model using oxidant concentration. Higher ECP enhances the possibility of intergranular stress corrosion cracking (IGSCC) in the BWR primary system, while lower ECP enhances flow accelerated corrosion (FAC) in the PWR secondary system. 2. Evaluation models of wall thinning caused by flow accelerated corrosion: The degree of wall thinning is evaluated at a location with a higher possibility of FAC occurrence, and lifetime is estimated for preventive maintenance. General features of models are reviewed in this paper and the prediction models for oxidant concentrations are briefly introduced. (orig.)

Evaluation method of corrosive conditions in cooling systems of nuclear power plants by combined analyses of flow dynamics and corrosion

International Nuclear Information System (INIS)

Uchida, Shunsuke; Hotta, Koji; Ichikawa, Ryoko; Koshizuka, Seiichi

2007-01-01

Problems in major components and structural materials in nuclear power plants have often been caused by flow induced vibration, corrosion and their overlapping effects. In order to establish safe and reliable plant operation, it is necessary to predict future problems for structural materials based on combined analyses of flow dynamics and corrosion and to mitigate them before they become serious issues for plant operation. The analysis models are divided into two types. 1. Prediction models for future problems with structural materials: Distributions of oxidant concentrations along flow paths are obtained by solving water radiolysis reactions in the boiling water reactor (BWR) primary cooling water and hydrazine-oxygen reactions in the pressurized water reactor (PWR) secondary cooling water. Then, the electrochemical corrosion potential (ECP) at the point of interest is also obtained by the mixed potential model using oxidant concentration. Higher ECP enhances the possibility of intergranular stress corrosion cracking (IGSCC) in the BWR primary system, while lower ECP enhances flow accelerated corrosion (FAC) in the PWR secondary system. 2. Evaluation models of wall thinning caused by flow accelerated corrosion: The degree of wall thinning is evaluated at a location with a higher possibility of FAC occurrence, and lifetime is estimated for preventive maintenance. General features of models are reviewed in this paper and the prediction models for oxidant concentrations are briefly introduced. (orig.)

Efficient Messaging through Cluster Coordinators in Decentralized Controlled Material Flow Systems

Directory of Open Access Journals (Sweden)

Lieberoth-Leden Christian

2016-01-01

Full Text Available The modularization of the hard- and software is one approach handling the demand for increasing flexibility and changeability of automated material flow systems. A control that is distributed across several different hardware controllers leads to a great demand for coordination between the modules while planning for example transports, especially if there is a mutual dependency between the modules on the executing tasks. Short-term changes in planning often initiate a rescheduling chain reaction, which causes a high communication load in the system. In the presented approach, module clusters with a centralized coordinator are automatically formed out of multiple modules and substitutional take over the surrounding communication for the modules. As a result, they minimize exchanged messages by focusing on the essential information.

A model for a countercurrent gas—solid—solid trickle flow reactor for equilibrium reactions. The methanol synthesis

NARCIS (Netherlands)

Westerterp, K.R.; Kuczynski, M.

1987-01-01

The theoretical background for a novel, countercurrent gas—solid—solid trickle flow reactor for equilibrium gas reactions is presented. A one-dimensional, steady-state reactor model is developed. The influence of the various process parameters on the reactor performance is discussed. The physical

Development of an automated flow injection analysis system for determination of phosphate in nutrient solutions.

Science.gov (United States)

Karadağ, Sevinç; Görüşük, Emine M; Çetinkaya, Ebru; Deveci, Seda; Dönmez, Koray B; Uncuoğlu, Emre; Doğu, Mustafa

2018-01-25

A fully automated flow injection analysis (FIA) system was developed for determination of phosphate ion in nutrient solutions. This newly developed FIA system is a portable, rapid and sensitive measuring instrument that allows on-line analysis and monitoring of phosphate ion concentration in nutrient solutions. The molybdenum blue method, which is widely used in FIA phosphate analysis, was adapted to the developed FIA system. The method is based on the formation of ammonium Mo(VI) ion by reaction of ammonium molybdate with the phosphate ion present in the medium. The Mo(VI) ion then reacts with ascorbic acid and is reduced to the spectrometrically measurable Mo(V) ion. New software specific for flow analysis was developed in the LabVIEW development environment to control all the components of the FIA system. The important factors affecting the analytical signal were identified as reagent flow rate, injection volume and post-injection flow path length, and they were optimized using Box-Behnken experimental design and response surface methodology. The optimum point for the maximum analytical signal was calculated as 0.50 mL min -1 reagent flow rate, 100 µL sample injection volume and 60 cm post-injection flow path length. The proposed FIA system had a sampling frequency of 100 samples per hour over a linear working range of 3-100 mg L -1 (R 2  = 0.9995). The relative standard deviation (RSD) was 1.09% and the limit of detection (LOD) was 0.34 mg L -1 . Various nutrient solutions from a tomato-growing hydroponic greenhouse were analyzed with the developed FIA system and the results were found to be in good agreement with vanadomolybdate chemical method findings. © 2018 Society of Chemical Industry. © 2018 Society of Chemical Industry.

Fluid flow and reaction fronts: characterization of physical processes at the microscale using SEM analyses

Science.gov (United States)

Beaudoin, Nicolas; Koehn, Daniel; Toussaint, Renaud; Gomez-Rivas, Enrique; Bons, Paul; Chung, Peter; Martín-Martín, Juan Diego

2014-05-01

Fluid migrations are the principal agent for mineral replacement in the upper crust, leading to dramatic changes in the porosity and permeability of rocks over several kilometers. Consequently, a better understanding of the physical parameters leading to mineral replacement is required to better understand and model fluid flow and rock reservoir properties. Large-scale dolostone bodies are one of the best and most debated examples of such fluid-related mineral replacement. These formations received a lot of attention lately, and although genetic mechanics and implications for fluid volume are understood, the mechanisms controlling the formation and propagation of the dolomitization reaction front remain unclear. This contribution aims at an improvement of the knowledge about how this replacement front propagates over space and time. We study the front sharpness on hand specimen and thin section scale and what the influence of advection versus diffusion of material is on the front development. In addition, we demonstrate how preexisting heterogeneities in the host rock affect the propagation of the reaction front. The rock is normally not homogeneous but contains grain boundaries, fractures and stylolites, and such structures are important on the scale of the front width. Using Scanning Electron Microscopy and Raman Spectroscopy we characterized the reaction front chemistry and morphology in different context. Specimens of dolomitization fronts, collected from carbonate sequences of the southern Maestrat Basin, Spain and the Southwestern Scottish Highlands suggest that the front thickness is about several mm being relatively sharp. Fluid infiltrated grain boundaries and fractures forming mm-scale transition zone. We study the structure of the reaction zone in detail and discuss implications for fluid diffusion-advection models and mineral replacement. In addition we formulate a numerical model taking into account fluid flow, diffusion and advection of the mobile

Investigation of Multiscale and Multiphase Flow, Transport and Reaction in Heavy Oil Recovery Process

Energy Technology Data Exchange (ETDEWEB)

Yortsos, Yanis C.; Akkutlu, Yucel; Amilik, Pouya; Kechagia, Persefoni; Lu, Chuan; Shariati, Maryam; Tsimpanogiannis, Ioannis; Zhan, Lang

2000-01-19

The emphasis of this work was on investigating the mechanisms and factors that control the recovery of heavy oil, with the objective to improve recovery efficiencies. For this purpose, the interaction of flow, transport and reaction at various scales (from the pore-network to the field scales) were studied. Particular mechanisms investigated included the onset of gas flow in foamy oil production and in in-situ steam drive, gravity drainage in steam process, the development of sustained combustion fronts and the propagation of foams in porous media. Analytical, computational and experimental methods were utilized to advance the state of the art in heavy oil recovery. Successful completion of this research was expected to lead to improvements in the recovery efficiency of various heavy oil processes.

Compressed-air flow control system.

Science.gov (United States)

Bong, Ki Wan; Chapin, Stephen C; Pregibon, Daniel C; Baah, David; Floyd-Smith, Tamara M; Doyle, Patrick S

2011-02-21

We present the construction and operation of a compressed-air driven flow system that can be used for a variety of microfluidic applications that require rapid dynamic response and precise control of multiple inlet streams. With the use of inexpensive and readily available parts, we describe how to assemble this versatile control system and further explore its utility in continuous- and pulsed-flow microfluidic procedures for the synthesis and analysis of microparticles.

Image processing system for flow pattern measurements

International Nuclear Information System (INIS)

Ushijima, Satoru; Miyanaga, Yoichi; Takeda, Hirofumi

1989-01-01

This paper describes the development and application of an image processing system for measurements of flow patterns occuring in natural circulation water flows. In this method, the motions of particles scattered in the flow are visualized by a laser light slit and they are recorded on normal video tapes. These image data are converted to digital data with an image processor and then transfered to a large computer. The center points and pathlines of the particle images are numerically analized, and velocity vectors are obtained with these results. In this image processing system, velocity vectors in a vertical plane are measured simultaneously, so that the two dimensional behaviors of various eddies, with low velocity and complicated flow patterns usually observed in natural circulation flows, can be determined almost quantitatively. The measured flow patterns, which were obtained from natural circulation flow experiments, agreed with photographs of the particle movements, and the validity of this measuring system was confirmed in this study. (author)

PERMCAT experiments with tritium at high helium flow rates relevant for the tritium extraction systems using the CAPER facility at TLK

Energy Technology Data Exchange (ETDEWEB)

Bükki-Deme, András, E-mail: andras.buekki-deme@kit.edu; Demange, David; Le, Thanh-Long; Fanghänel, Eleonore; Simon, Karl-Heinz

2016-11-01

Highlights: • We examined PERMCAT reactor efficiency processing tritiated water at high Helium carrier flow rates. • We have found that – as expected from previous studies – that the swamping ratio (ratio between the impurity and purge side flow rates) has a key effect on the decontamination factors. • On the other hand, some rather unexpected effects tend to show that the limiting phenomena of such specific operation of PERMCAT reactors (at high impurity flow rates, thus short residence time) lies on the kinetics of the isotope exchange reactions. - Abstract: Experiments are still necessary to consolidate the processes retained for the Tritium Extraction Systems of the European ITER Test Blanket Modules (TBM). A PERMCAT reactor combines a catalyst promoting isotope exchange reactions and a Pd/Ag membrane allowing tritium recovery from complex gaseous mixtures containing tritium in different chemical forms. Originally developed for the Tokamak Exhaust Processing, the PERMCAT process is also candidate to detritiate the water arising from an adsorption column installed in the TBM ancillary systems. We discuss the results of an extensive experimental campaign using a PERMCAT reactor to process Q{sub 2}O containing impurity gas mixtures at high flow rates. Two different experimental configurations were studied, namely PERMCAT stand-alone, and PERMCAT in combination with a zeolite molecular sieve bed (MSB, previously loaded with Q{sub 2}O) under regeneration. On the one hand, many expected behaviors were observed, such as the key influence of the swamping ratio (ratio between the impurity and purge side flow rates) on the decontamination factors. On the other hand, some rather unexpected effects tend to show that the limiting phenomena of such specific operation of PERMCAT reactors (at high flow rates, thus short residence time) lies on the kinetics of the isotope exchange reactions.

Action-reaction based parameters identification and states estimation of flexible systems

OpenAIRE

Khalil, Islam Shoukry Mohammed; Şabanoviç, Asif; Sabanovic, Asif

2010-01-01

This work attempts to identify and estimate flexible system’s parameters and states by a simple utilization of the Action-Reaction law of dynamical systems. Attached actuator to a dynamical system or environmental interaction imposes an action that is instantaneously followed by a dynamical system reaction. The dynamical system’s reaction carries full information about the dynamical system including system parameters, dynamics and externally applied forces that arise due to system interaction...

Thermodynamically consistent Bayesian analysis of closed biochemical reaction systems

Directory of Open Access Journals (Sweden)

Goutsias John

2010-11-01

Full Text Available Abstract Background Estimating the rate constants of a biochemical reaction system with known stoichiometry from noisy time series measurements of molecular concentrations is an important step for building predictive models of cellular function. Inference techniques currently available in the literature may produce rate constant values that defy necessary constraints imposed by the fundamental laws of thermodynamics. As a result, these techniques may lead to biochemical reaction systems whose concentration dynamics could not possibly occur in nature. Therefore, development of a thermodynamically consistent approach for estimating the rate constants of a biochemical reaction system is highly desirable. Results We introduce a Bayesian analysis approach for computing thermodynamically consistent estimates of the rate constants of a closed biochemical reaction system with known stoichiometry given experimental data. Our method employs an appropriately designed prior probability density function that effectively integrates fundamental biophysical and thermodynamic knowledge into the inference problem. Moreover, it takes into account experimental strategies for collecting informative observations of molecular concentrations through perturbations. The proposed method employs a maximization-expectation-maximization algorithm that provides thermodynamically feasible estimates of the rate constant values and computes appropriate measures of estimation accuracy. We demonstrate various aspects of the proposed method on synthetic data obtained by simulating a subset of a well-known model of the EGF/ERK signaling pathway, and examine its robustness under conditions that violate key assumptions. Software, coded in MATLAB®, which implements all Bayesian analysis techniques discussed in this paper, is available free of charge at http://www.cis.jhu.edu/~goutsias/CSS%20lab/software.html. Conclusions Our approach provides an attractive statistical methodology for

Reaction enhancement of initially distant scalars by Lagrangian coherent structures

International Nuclear Information System (INIS)

Pratt, Kenneth R.; Crimaldi, John P.; Meiss, James D.

2015-01-01

Turbulent fluid flows have long been recognized as a superior means of diluting initial concentrations of scalars due to rapid stirring. Conversely, experiments have shown that the structures responsible for this rapid dilution can also aggregate initially distant reactive scalars and thereby greatly enhance reaction rates. Indeed, chaotic flows not only enhance dilution by shearing and stretching but also organize initially distant scalars along transiently attracting regions in the flow. To show the robustness of this phenomenon, a hierarchical set of three numerical flows is used: the periodic wake downstream of a stationary cylinder, a chaotic double gyre flow, and a chaotic, aperiodic flow consisting of interacting Taylor vortices. We demonstrate that Lagrangian coherent structures (LCS), as identified by ridges in finite time Lyapunov exponents, are directly responsible for this coalescence of reactive scalar filaments. When highly concentrated filaments coalesce, reaction rates can be orders of magnitude greater than would be predicted in a well-mixed system. This is further supported by an idealized, analytical model that was developed to quantify the competing effects of scalar dilution and coalescence. Chaotic flows, known for their ability to efficiently dilute scalars, therefore have the competing effect of organizing initially distant scalars along the LCS at timescales shorter than that required for dilution, resulting in reaction enhancement

The crystallization kinetic model of nano-CaCO3 in CO2-ammonia-phosphogypsum three-phase reaction system

Science.gov (United States)

Liu, Hao; Lan, Peiqiang; Lu, Shangqing; Wu, Sufang

2018-06-01

Phosphogypsum (PG) as a low-cost calcium resource was used to prepare nano-CaCO3 in a three-phase system by reactions. Based on the population balance equation, nano-CaCO3 crystal nucleation and growth model in the gas (CO2)-liquid (NH3·H2O)-solid (CaSO4) three-phase system was established. The crystallization kinetic model of nano-CaCO3 in CO2-NH3·H2O-CaSO4 reactions system was experimental developed over an optimized temperature range of 20-40 °C and CO2 flow rate range of 138-251 ml/min as rCaCO3 =kn 32 πM2γ3/3R3ρ2T3 (C -C∗)0.8/[ ln (C /C∗) ]3 + πρ/3M kg3 kn(C -C∗) 2t3 , where nano-CaCO3 nucleation rate constant was kn = 6.24 ×1019 exp(-15940/RT) and nano-CaCO3 growth rate constant was kg = 0.79 exp(-47650/RT) respectively. Research indicated that nucleation rates and growth rates both increased with the increasing of temperature and CO32- ion concentration. And crystal growth was dependent on temperature more than that of nucleation process because the activation energy of CaCO3 growth was bigger than that of CaCO3 nucleation. Decreasing the reaction temperature and CO2 flow rate was more beneficial for producing nano-size CaCO3 because of the lower CaCO3 growth rates. The deduced kinetic equation could briefly predict the average particle sizes of nano-CaCO3.

Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal.

Science.gov (United States)

Zhao, Bin; Sun, Zhigang; Guo, Hua

2015-06-28

Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H2O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H2O → H2 + OH reaction. The strong enhancement of reactivity by the H2O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal.

Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal

International Nuclear Information System (INIS)

Zhao, Bin; Guo, Hua; Sun, Zhigang

2015-01-01

Quantum state-to-state dynamics of a prototypical four-atom reaction, namely, Cl + H 2 O → HCl + OH, is investigated for the first time in full dimensionality using a transition-state wave packet method. The state-to-state reactivity and its dependence on the reactant internal excitations are analyzed and found to share many similarities both energetically and dynamically with the H + H 2 O → H 2 + OH reaction. The strong enhancement of reactivity by the H 2 O stretching vibrational excitations in both reactions is attributed to the favorable energy flow into the reaction coordinate near the transition state. On the other hand, the insensitivity of the product state distributions with regard to reactant internal excitation stems apparently from the transition-state control of product energy disposal

Fabrication of Coaxial Si(1-x)Ge(x) Heterostructure Nanowires by O(2) Flow-Induced Bifurcate Reactions.

Science.gov (United States)

Kim, Ilsoo; Lee, Ki-Young; Kim, Ungkil; Park, Yong-Hee; Park, Tae-Eon; Choi, Heon-Jin

2010-06-17

We report on bifurcate reactions on the surface of well-aligned Si(1-x)Ge(x) nanowires that enable fabrication of two different coaxial heterostructure nanowires. The Si(1-x)Ge(x) nanowires were grown in a chemical vapor transport process using SiCl(4) gas and Ge powder as a source. After the growth of nanowires, SiCl(4) flow was terminated while O(2) gas flow was introduced under vacuum. On the surface of nanowires was deposited Ge by the vapor from the Ge powder or oxidized into SiO(2) by the O(2) gas. The transition from deposition to oxidation occurred abruptly at 2 torr of O(2) pressure without any intermediate region and enables selectively fabricated Ge/Si(1-x)Ge(x) or SiO(2)/Si(1-x)Ge(x) coaxial heterostructure nanowires. The rate of deposition and oxidation was dominated by interfacial reaction and diffusion of oxygen through the oxide layer, respectively.

Fabrication of Coaxial Si1−xGex Heterostructure Nanowires by O2 Flow-Induced Bifurcate Reactions

Directory of Open Access Journals (Sweden)

Kim Ilsoo

2010-01-01

Full Text Available Abstract We report on bifurcate reactions on the surface of well-aligned Si1−xGex nanowires that enable fabrication of two different coaxial heterostructure nanowires. The Si1−xGex nanowires were grown in a chemical vapor transport process using SiCl4 gas and Ge powder as a source. After the growth of nanowires, SiCl4 flow was terminated while O2 gas flow was introduced under vacuum. On the surface of nanowires was deposited Ge by the vapor from the Ge powder or oxidized into SiO2 by the O2 gas. The transition from deposition to oxidation occurred abruptly at 2 torr of O2 pressure without any intermediate region and enables selectively fabricated Ge/Si1−xGex or SiO2/Si1−xGex coaxial heterostructure nanowires. The rate of deposition and oxidation was dominated by interfacial reaction and diffusion of oxygen through the oxide layer, respectively.

Thaw flow control for liquid heat transport systems

Science.gov (United States)

Kirpich, Aaron S.

1989-01-01

In a liquid metal heat transport system including a source of thaw heat for use in a space reactor power system, the thaw flow throttle or control comprises a fluid passage having forward and reverse flow sections and a partition having a plurality of bleed holes therein to enable fluid flow between the forward and reverse sections. The flow throttle is positioned in the system relatively far from the source of thaw heat.

The base catalysed hydrolysis of methyl paraben: a test reaction for flow microcalorimeters used for determination of both kinetic and thermodynamic parameters

Energy Technology Data Exchange (ETDEWEB)

O' Neill, M.A.A.; Beezer, A.E.; Labetoulle, C.; Nicolaides, L.; Mitchell, J.C.; Orchard, J.A.; Connor, J.A.; Kemp, R.B.; Olomolaiye, D

2003-03-24

The results of an inter/intra-laboratory study into a test and reference reaction for isothermal microcalorimeters, the imidazole catalysed hydrolysis of triacetin, have been reported in a recent paper [Thermochim. Acta 380 (2001) 13]. The results and conclusions drawn from this study have been extended to a consideration of the need for a similar test and reference reaction for isothermal microcalorimeters operating in flow mode. This paper reports the findings of a preliminary inter/intra-laboratory study of the base catalysed hydrolysis of methyl 4-hydroxy benzoate (methyl paraben) and its suitability as a test and reference reaction. The derived values for the hydrolysis reaction were (3.15{+-}0.11)x10{sup -4} s{sup -1} and -50.5{+-}4.3 kJ mol{sup -1} for the rate constant and enthalpy, respectively. It is also reported how such a test and reference reaction can be used to validate the thermal output from a LKB 10-700-1 and Thermometric Thermal Activity Monitor (TAM) 2277-202 flow microcalorimeters.

Reaction-Transport Systems Mesoscopic Foundations, Fronts, and Spatial Instabilities

CERN Document Server

Horsthemke, Werner; Mendez, Vicenc

2010-01-01

This book is an introduction to the dynamics of reaction-diffusion systems, with a focus on fronts and stationary spatial patterns. Emphasis is on systems that are non-standard in the sense that either the transport is not simply classical diffusion (Brownian motion) or the system is not homogeneous. A important feature is the derivation of the basic phenomenological equations from the mesoscopic system properties. Topics addressed include transport with inertia, described by persistent random walks and hyperbolic reaction-transport equations and transport by anomalous diffusion, in particular subdiffusion, where the mean square displacement grows sublinearly with time. In particular reaction-diffusion systems are studied where the medium is in turn either spatially inhomogeneous, compositionally heterogeneous or spatially discrete. Applications span a vast range of interdisciplinary fields and the systems considered can be as different as human or animal groups migrating under external influences, population...

Reactions and reaction rates in the regional aquifer beneath the Pajarito Plateau, north-central New Mexico, USA

Science.gov (United States)

Hereford, Anne G.; Keating, Elizabeth H.; Guthrie, George D.; Zhu, Chen

2007-05-01

Reactions and reaction rates within aquifers are fundamental components of critical hydrological processes. However, reactions simulated in laboratory experiments typically demonstrate rates that are much faster than those observed in the field. Therefore, it is necessary to conduct more reaction rate analyses in natural settings. This study of geochemical reactions in the regional aquifer in the Pajarito Plateau near Los Alamos, New Mexico combines modeling with petrographic assessment to further knowledge and understanding of complex natural hydrologic systems. Groundwater geochemistry shows marked evolution along assumed flow paths. The flow path chosen for this study was evaluated using inverse mass balance modeling to calculate the mass transfer. X-ray diffraction and field emission gun scanning electron microscopy were used to identify possible reactants and products. Considering the mineralogy of the aquifer and saturation indices for the regional water refined initial interpretations. Calculations yielded dissolution rates for plagioclase on the order of 10-15 mol s-1 m-2 and for K-feldspar on the order of 10-17 mol s-1 m-2, orders of magnitude slower than laboratory rates. While these rates agree with other aquifer studies, they must be considered in the light of the uncertainty associated with geometric surface area estimates, 14C ages, and aquifer properties.

Reaction dynamics in polyatomic molecular systems

Energy Technology Data Exchange (ETDEWEB)

Miller, W.H. [Lawrence Berkeley Laboratory, CA (United States)

1993-12-01

The goal of this program is the development of theoretical methods and models for describing the dynamics of chemical reactions, with specific interest for application to polyatomic molecular systems of special interest and relevance. There is interest in developing the most rigorous possible theoretical approaches and also in more approximate treatments that are more readily applicable to complex systems.

Scalable synthesis of sequence-defined, unimolecular macromolecules by Flow-IEG

Science.gov (United States)

Leibfarth, Frank A.; Johnson, Jeremiah A.; Jamison, Timothy F.

2015-01-01

We report a semiautomated synthesis of sequence and architecturally defined, unimolecular macromolecules through a marriage of multistep flow synthesis and iterative exponential growth (Flow-IEG). The Flow-IEG system performs three reactions and an in-line purification in a total residence time of under 10 min, effectively doubling the molecular weight of an oligomeric species in an uninterrupted reaction sequence. Further iterations using the Flow-IEG system enable an exponential increase in molecular weight. Incorporating a variety of monomer structures and branching units provides control over polymer sequence and architecture. The synthesis of a uniform macromolecule with a molecular weight of 4,023 g/mol is demonstrated. The user-friendly nature, scalability, and modularity of Flow-IEG provide a general strategy for the automated synthesis of sequence-defined, unimolecular macromolecules. Flow-IEG is thus an enabling tool for theory validation, structure–property studies, and advanced applications in biotechnology and materials science. PMID:26269573

Sugarcane bagasse gasification: Global reaction mechanism of syngas evolution

International Nuclear Information System (INIS)

Ahmed, I.I.; Gupta, A.K.

2012-01-01

Highlights: ► Gasification of sugarcane bagasse has been investigated using a semi batch reactor. ► Global reaction mechanism combining pyrolysis and gasification reactions is presented. ► High flow rates of syngas supported fragmentation and secondary reactions. ► CO flow rate increased at higher heating rates at the expense of CO 2 production. ► At high temperatures merger between pyrolysis and char gasification occurs. -- Abstract: Steam gasification of sugarcane bagasse has been investigated. A semi batch reactor with a fixed amount of sugarcane bagasse sample placed in steady flow of high temperature steam at atmospheric pressure has been used. The gasification of bagasse was examined at reactor and steam temperatures of 800, 900 and 1000 °C. The evolution of syngas flow rate and chemical composition has been monitored. The evolution of chemical composition and total flow rate of the syngas has been used to formulate a global reaction mechanism. The mechanism combines pyrolysis reaction mechanisms from the literature and steam gasification/reforming reactions. Steam gasification steps include steam–hydrocarbons reforming, char gasification and water gas shift reactions. Evidence of fragmentation, secondary ring opening reactions and tertiary reactions resulting in formation of gaseous hydrocarbons is supported by higher flow rates of syngas and hydrogen at high heating rates and high reactor temperatures. Increase in carbon monoxide flow rate at the expense of carbon dioxide flow rate with the increase in reactor temperature has been observed. This increase in the ratio of CO/CO 2 flow rate confirms the production of CO and CO 2 from the competing reaction routes. At 1000 °C gasification a total merging between the pyrolysis step and the char gasification step has been observed. This is attributed to acceleration of char gasification reactions and acceleration of steam–hydrocarbons reforming reactions. These hydrocarbons are the precursors to

Study of flow past an exponentially accelerated isothermal vertical plate in the presence of chemical reaction

Directory of Open Access Journals (Sweden)

Muthucumaraswamy R.

2010-01-01

Full Text Available Theoretical study of unsteady flow past an exponentially accelerated infinite isothermal vertical plate with variable mass diffusion has been presented in the presence of homogeneous chemical reaction of first order. The plate temperature is raised to Tw and species concentration level near the plate is made to rise linearly with time. The dimensionless governing equations are solved using Laplace-transform technique. The velocity profiles are studied for different physical parameters like chemical reaction parameter, thermal Grashof number, mass Grashof number, a and time. It is observed that the velocity increases with increasing values of a or t. But the trend is just reversed with respect to K.

User's Guide of TOUGH2-EGS. A Coupled Geomechanical and Reactive Geochemical Simulator for Fluid and Heat Flow in Enhanced Geothermal Systems Version 1.0

Energy Technology Data Exchange (ETDEWEB)

Fakcharoenphol, Perapon [Colorado School of Mines, Golden, CO (United States); Xiong, Yi [Colorado School of Mines, Golden, CO (United States); Hu, Litang [Colorado School of Mines, Golden, CO (United States); Winterfeld, Philip H. [Colorado School of Mines, Golden, CO (United States); Xu, Tianfu [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Wu, Yu-Shu [Colorado School of Mines, Golden, CO (United States)

2013-05-01

TOUGH2-EGS is a numerical simulation program coupling geomechanics and chemical reactions for fluid and heat flows in porous media and fractured reservoirs of enhanced geothermal systems. The simulator includes the fully-coupled geomechanical (THM) module, the fully-coupled geochemical (THC) module, and the sequentially coupled reactive geochemistry (THMC) module. The fully-coupled flow-geomechanics model is developed from the linear elastic theory for the thermo-poro-elastic system and is formulated with the mean normal stress as well as pore pressure and temperature. The chemical reaction is sequentially coupled after solution of flow equations, which provides the flow velocity and phase saturation for the solute transport calculation at each time step. In addition, reservoir rock properties, such as porosity and permeability, are subjected to change due to rock deformation and chemical reactions. The relationships between rock properties and geomechanical and chemical effects from poro-elasticity theories and empirical correlations are incorporated into the simulator. This report provides the user with detailed information on both mathematical models and instructions for using TOUGH2-EGS for THM, THC or THMC simulations. The mathematical models include the fluid and heat flow equations, geomechanical equation, reactive geochemistry equations, and discretization methods. Although TOUGH2-EGS has the capability for simulating fluid and heat flows coupled with both geomechanical and chemical effects, it is up to the users to select the specific coupling process, such as THM, THC, or THMC in a simulation. There are several example problems illustrating the applications of this program. These example problems are described in details and their input data are presented. The results demonstrate that this program can be used for field-scale geothermal reservoir simulation with fluid and heat flow, geomechanical effect, and chemical reaction in porous and fractured media.

The Theory of Thermodynamics for Chemical Reactions in Dispersed Heterogeneous Systems

Science.gov (United States)

Yongqiang; Baojiao; Jianfeng

1997-07-01

In this paper, the expressions of Gibbs energy change, enthalpy change, entropy change, and equilibrium constant for chemical reactions in dispersed heterogeneous systems are derived using classical thermodynamics theory. The thermodynamical relations for the same reaction system between the dispersed and the block state are also derived. The effects of degree of dispersion on thermodynamical properties, reaction directions, and chemical equilibria are discussed. The results show that the present equation of thermodynamics for chemical reactions is only a special case of the above-mentioned formulas and that the effect of the dispersity of a heterogeneous system on the chemical reaction obeys the Le Chatelier principle of movement of equilibria.

Firefighter Nozzle Reaction

DEFF Research Database (Denmark)

Chin, Selena K.; Sunderland, Peter B.; Jomaas, Grunde

2017-01-01

to anchor forces, the hose becomes straight. The nozzle reaction is found to equal the jet momentum flow rate, and it does not change when an elbow connects the hose to the nozzle. A forward force must be exerted by a firefighter or another anchor that matches the forward force that the jet would exert...... on a perpendicular wall. Three reaction expressions are derived, allowing it to be determined in terms of hose diameter, jet diameter, flow rate, and static pressure upstream of the nozzle. The nozzle reaction predictions used by the fire service are 56% to 90% of those obtained here for typical firefighting hand...

Theoretical estimation of adiabatic temperature rise from the heat flow data obtained from a reaction calorimeter

International Nuclear Information System (INIS)

Das, Parichay K.

2012-01-01

Highlights: ► This method for estimating ΔT ad (t) against time in a semi-batch reactor is distinctively pioneer and novel. ► It has established uniquely a direct correspondence between the evolution of ΔT ad (t) in RC and C A (t) in a semi-batch reactor. ► Through a unique reaction scheme, the independent effects of heat of mixing and reaction on ΔT ad (t) has been demonstrated quantitatively. ► This work will help to build a thermally safe corridor of a thermally hazard reaction. ► This manuscript, the author believes will open a new vista for further research in Adiabatic Calorimetry. - Abstract: A novel method for estimating the transient profile of adiabatic rise in temperature has been developed from the heat flow data for exothermic chemical reactions that are conducted in reaction calorimeter (RC). It has also been mathematically demonstrated by the present design that there exists a direct qualitative equivalence between the temporal evolution of the adiabatic temperature rise and the concentration of the limiting reactant for an exothermic chemical reaction, carried out in semi batch mode. The proposed procedure shows that the adiabatic temperature rise will always be less than that of the reaction executed at batch mode thereby affording a thermally safe corridor. Moreover, a unique reaction scheme has been designed to establish the independent heat effect of dissolution and reaction quantitatively. It is hoped that the testimony of the transient adiabatic temperature rise that can be prepared by the proposed method, may provide ample scope for further research.

Splitting Schemes & Segregation In Reaction-(Cross-)Diffusion Systems

OpenAIRE

Carrillo, José A.; Fagioli, Simone; Santambrogio, Filippo; Schmidtchen, Markus

2017-01-01

One of the most fascinating phenomena observed in reaction-diffusion systems is the emergence of segregated solutions, i.e. population densities with disjoint supports. We analyse such a reaction cross-diffusion system. In order to prove existence of weak solutions for a wide class of initial data without restriction about their supports or their positivity, we propose a variational splitting scheme combining ODEs with methods from optimal transport. In addition, this approach allows us to pr...

Hydrothermal Liquefaction of Dried Distillers Grains with solubles: A reaction temperature study

DEFF Research Database (Denmark)

Mørup, Anders; Christensen, Per Runge; Aarup, David Friis

2012-01-01

provides rapid heating of biomass feeds and the option of performing multiple sequential repetitions. This bypasses long, uncontrollable temperature gradients and unintended changes in the reaction chemistry. The product, a crude bio-oil, was characterized in terms of yield, elemental composition......The effect of the reaction temperature on hydrothermal liquefaction of dried distillers grains with solubles (DDGS) was investigated using a novel stop-flow reactor system at varying temperatures (300–400 °C), fixed pressure (250 bar), and fixed reaction time (15 min). The stop-flow reactor......, and chemical composition. Higher reaction temperatures resulted in improved bio-oil yields, less char formation, and higher heating values of the bio-oil. A supercritical reaction temperature of 400 °C was found to produce bio-oil in the highest yields and of the best quality....

Chemical reaction for Carreau-Yasuda nanofluid flow past a nonlinear stretching sheet considering Joule heating

Science.gov (United States)

Khan, Mair; Shahid, Amna; Malik, M. Y.; Salahuddin, T.

2018-03-01

Current analysis has been made to scrutinize the consequences of chemical response against magneto-hydrodynamic Carreau-Yasuda nanofluid flow induced by a non-linear stretching surface considering zero normal flux, slip and convective boundary conditions. Joule heating effect is also considered. Appropriate similarity approach is used to convert leading system of PDE's for Carreau-Yasuda nanofluid into nonlinear ODE's. Well known mathematical scheme namely shooting method is utilized to solve the system numerically. Physical parameters, namely Weissenberg number We , thermal slip parameter δ , thermophoresis number NT, non-linear stretching parameter n, magnetic field parameter M, velocity slip parameter k , Lewis number Le, Brownian motion parameter NB, Prandtl number Pr, Eckert number Ec and chemical reaction parameter γ upon temperature, velocity and concentration profiles are visualized through graphs and tables. Numerical influence of mass and heat transfer rates and friction factor are also represented in tabular as well as graphical form respectively. Skin friction coefficient reduces when Weissenberg number We is incremented. Rate of heat transfer enhances for large values of Brownian motion constraint NB. By increasing Lewis quantity Le rate of mass transfer declines.

Controlled nitric oxide production via O(1D  + N2O reactions for use in oxidation flow reactor studies

Directory of Open Access Journals (Sweden)

A. Lambe

2017-06-01

Full Text Available Oxidation flow reactors that use low-pressure mercury lamps to produce hydroxyl (OH radicals are an emerging technique for studying the oxidative aging of organic aerosols. Here, ozone (O3 is photolyzed at 254 nm to produce O(1D radicals, which react with water vapor to produce OH. However, the need to use parts-per-million levels of O3 hinders the ability of oxidation flow reactors to simulate NOx-dependent secondary organic aerosol (SOA formation pathways. Simple addition of nitric oxide (NO results in fast conversion of NOx (NO + NO2 to nitric acid (HNO3, making it impossible to sustain NOx at levels that are sufficient to compete with hydroperoxy (HO2 radicals as a sink for organic peroxy (RO2 radicals. We developed a new method that is well suited to the characterization of NOx-dependent SOA formation pathways in oxidation flow reactors. NO and NO2 are produced via the reaction O(1D + N2O  →  2NO, followed by the reaction NO + O3  →  NO2 + O2. Laboratory measurements coupled with photochemical model simulations suggest that O(1D + N2O reactions can be used to systematically vary the relative branching ratio of RO2 + NO reactions relative to RO2 + HO2 and/or RO2 + RO2 reactions over a range of conditions relevant to atmospheric SOA formation. We demonstrate proof of concept using high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS measurements with nitrate (NO3− reagent ion to detect gas-phase oxidation products of isoprene and α-pinene previously observed in NOx-influenced environments and in laboratory chamber experiments.

Bioinspired sensory systems for local flow characterization

Science.gov (United States)

Colvert, Brendan; Chen, Kevin; Kanso, Eva

2016-11-01

Empirical evidence suggests that many aquatic organisms sense differential hydrodynamic signals.This sensory information is decoded to extract relevant flow properties. This task is challenging because it relies on local and partial measurements, whereas classical flow characterization methods depend on an external observer to reconstruct global flow fields. Here, we introduce a mathematical model in which a bioinspired sensory array measuring differences in local flow velocities characterizes the flow type and intensity. We linearize the flow field around the sensory array and express the velocity gradient tensor in terms of frame-independent parameters. We develop decoding algorithms that allow the sensory system to characterize the local flow and discuss the conditions under which this is possible. We apply this framework to the canonical problem of a circular cylinder in uniform flow, finding excellent agreement between sensed and actual properties. Our results imply that combining suitable velocity sensors with physics-based methods for decoding sensory measurements leads to a powerful approach for understanding and developing underwater sensory systems.

Chemical modeling of irreversible reactions in nuclear waste-water-rock systems

International Nuclear Information System (INIS)

Wolery, T.J.

1981-02-01

Chemical models of aqueous geochemical systems are usually built on the concept of thermodynamic equilibrium. Though many elementary reactions in a geochemical system may be close to equilibrium, others may not be. Chemical models of aqueous fluids should take into account that many aqueous redox reactions are among the latter. The behavior of redox reactions may critically affect migration of certain radionuclides, especially the actinides. In addition, the progress of reaction in geochemical systems requires thermodynamic driving forces associated with elementary reactions not at equilibrium, which are termed irreversible reactions. Both static chemical models of fluids and dynamic models of reacting systems have been applied to a wide spectrum of problems in water-rock interactions. Potential applications in nuclear waste disposal range from problems in geochemical aspects of site evaluation to those of waste-water-rock interactions. However, much further work in the laboratory and the field will be required to develop and verify such applications of chemical modeling

Multifragmentation and flow in central collisions of heavy systems

International Nuclear Information System (INIS)

Harris, J.W.; Jacak, B.V.; Kampert, K.H.

1987-05-01

Experimental results are presented on the production of light particles (A < 5) and intermediate mass fragments (6 < A < 18) over a large solid angle. The reactions 200 MeV/n Au + Au amd Au + Fe were studied to provide information on multifragmentation processes and collective flow. 20 refs., 6 figs

Recent developments in biocatalysis in multiphasic ionic liquid reaction systems.

Science.gov (United States)

Meyer, Lars-Erik; von Langermann, Jan; Kragl, Udo

2018-06-01

Ionic liquids are well known and frequently used 'designer solvents' for biocatalytic reactions. This review highlights recent achievements in the field of multiphasic ionic liquid-based reaction concepts. It covers classical biphasic systems including supported ionic liquid phases, thermo-regulated multi-component solvent systems (TMS) and polymerized ionic liquids. These powerful concepts combine unique reaction conditions with a high potential for future applications on a laboratory and industrial scale. The presence of a multiphasic system simplifies downstream processing due to the distribution of the catalyst and reactants in different phases.

Rate of reaction of dimethylmercury with oxygen atoms in the gas phase

DEFF Research Database (Denmark)

Egsgaard, Helge

1986-01-01

The rate constant for the reaction of atomic oxygen (O(3P)) with dimethylmercury has been measured at room temperature at a pressure of about 1 Torr using a fast flow system with electron paramagnetic resonance and mass spectrometric detection. Some reaction products were identified. The rate...

Determination of mercury by multisyringe flow injection system with cold-vapor atomic absorption spectrometry

International Nuclear Information System (INIS)

Leal, L.O.; Elsholz, O.; Forteza, R.; Cerda, V.

2006-01-01

A new software-controlled time-based multisyringe flow injection system for mercury determination by cold-vapor atomic absorption spectrometry is proposed. Precise known volumes of sample, reducing agent (1.1% SnCl 2 in 3% HCl) and carrier (3% HCl) are dispensed into a gas-liquid separation cell with a multisyringe burette coupled with one three-way solenoid valve. An argon flow delivers the reduced mercury to the spectrometer. The optimization of the system was carried out testing reaction coils and gas-liquid separators of different design as well as changing parameters, such as sample and reagents volumes, reagent concentrations and carrier gas flow rate, among others. The analytical curves were obtained within the range 50-5000 ng L -1 . The detection limit (3σ b /S) achieved is 5 ng L -1 . The relative standard deviation (R.S.D.) was 1.4%, evaluated from 16 successive injections of 250 ng L -1 Hg standard solution. The injection and sample throughput per hour were 44 and 11, respectively. This technique was validated by means of solid and water reference materials with good agreement with the certified values and was successfully applied to fish samples

Preliminary observations of a continuous flow solar disinfection system for a rural community in Kenya

International Nuclear Information System (INIS)

Gill, L.W.; Price, C.

2010-01-01

This project involves the design and installation of a continuous flow reactor which uses solar radiation, an abundant resource in most sub-Saharan countries, to disinfect water supplies. The system was installed at a rural village in Kenya to disinfect surface water collected at a recently constructed micro-dam. The solar reactor uses CPC reflectors which reflect both direct and diffuse solar radiation onto clear pipes through which the requisite water supply flows. The reaction kinetics for the full-scale design had been determined on a variety of pathogenic micro-organisms under both artificial and real sunlight in controlled conditions. The community fully participated in the planning, installation and subsequent operation of the system. The preliminary water quality results indicate that the system is providing a safe source of water for the community. The installation, commissioning and initial use of the system highlights the critical need for community involvement and approval if such interventions are going to be successful in rural areas, alongside the requirements for strategic and technical support.

Generic Model-Based Tailor-Made Design and Analysis of Biphasic Reaction Systems

DEFF Research Database (Denmark)

Anantpinijwatna, Amata

systems have a broad range of application, such as the manufacture of petroleum based chemicals, pharmaceuticals, and agro-bio products. Major considerations in the design and analysis of biphasic reaction systems are physical and chemical equilibria, kinetic mechanisms, and reaction rates. The primary...... contribution of this thesis is the development of a systematic modelling framework for the biphasic reaction system. The developed framework consists of three modules describing phase equilibria, reactions and mass transfer, and material balances of such processes. Correlative and predictive thermodynamic......Biphasic reaction systems are composed of immiscible aqueous and organic liquid phases where reactants, products, and catalysts are partitioned. These biphasic conditions point to novel synthesis paths, higher yields, and faster reactions, as well as facilitate product separation. The biphasic...

Investigation of Multiscale and Multiphase Flow, Transport and Reaction in Heavy Oil Recovery Processes; SEMIANNUAL

International Nuclear Information System (INIS)

Yorstos, Yanis C.

2002-01-01

The emphasis of this work was on investigating the mechanisms and factors that control the recovery of heavy oil with the objective to improve recovery efficiencies. For this purpose the interaction of flow transport and reaction at various scales from the pore network to the field scales were studied. Particular mechanisms to be investigated included the onset of gas flow in foamy oil production and in in-situ steam drive, gravity drainage in steam processes, the development of sustained combustion fronts and the propagation of foams in porous media. Analytical, computational and experimental methods were utilized to advance the state of the art in heavy oil recovery. Successful completion of this research was expected to lead to improvements in the Recovery efficiency of various heavy oil processes

Numerical Model of Dephosphorization Reaction Kinetics in Top Blown Converter Coupled with Flow Field

Science.gov (United States)

Liu, Wei; Yang, Shufeng; Li, Jingshe; Wang, Minghui

2017-07-01

A 3D transient numerical model of dephosphorization kinetics coupled with flow field in a top blown converter was built. Through the model the dephosphorization reaction rate influenced by the oxygen jets and the steel flow were simulated. The results show that the dephosphorization rate at the droplet metal-slag interface is two orders of magnitude faster than that at bath metal-slag interface. When the lance oxygen pressure increases from 0.7 to 0.8 MPa, the dephosphorization rate increases notably and the end content of P has a decrease of 19 %. However, when the pressure continues rising to 0.9 MPa, the dephosphorization rate has no significant increase. In addition, the lance height shows a nearly linear relation to the end P content of steel, that the lower the height, the faster the dephosphorization rate.

Elastic and inelastic pion reactions on few nucleon systems

International Nuclear Information System (INIS)

Lensky, V.

2007-01-01

In the present work, we are studying elastic and inelastic pion reactions on few-body systems within the framework of chiral effective theory. We consider two specific reactions involving pions on few-nucleon systems, namely pion production in nucleon-nucleon collisions, and incoherent pion photoproduction on the deuteron. These two reactions are closely related to the issue of dispersive and absorptive corrections to the pion-deuteron scattering length, which we also consider in our analysis. The incoherent pion photoproduction is also considered as the possible source for a high-precision determination of the neutron-neutron scattering length. (orig.)

Elastic and inelastic pion reactions on few nucleon systems

Energy Technology Data Exchange (ETDEWEB)

Lensky, V.

2007-09-29

In the present work, we are studying elastic and inelastic pion reactions on few-body systems within the framework of chiral effective theory. We consider two specific reactions involving pions on few-nucleon systems, namely pion production in nucleon-nucleon collisions, and incoherent pion photoproduction on the deuteron. These two reactions are closely related to the issue of dispersive and absorptive corrections to the pion-deuteron scattering length, which we also consider in our analysis. The incoherent pion photoproduction is also considered as the possible source for a high-precision determination of the neutron-neutron scattering length. (orig.)

Flow Forecasting in Drainage Systems with Extrapolated Radar Rainfall Data and Auto Calibration on Flow Observations

DEFF Research Database (Denmark)

Thorndahl, Søren Liedtke; Grum, M.; Rasmussen, Michael R.

2011-01-01

Forecasting of flows, overflow volumes, water levels, etc. in drainage systems can be applied in real time control of drainage systems in the future climate in order to fully utilize system capacity and thus save possible construction costs. An online system for forecasting flows and water levels......-calibrated on flow measurements in order to produce the best possible forecast for the drainage system at all times. The system shows great potential for the implementation of real time control in drainage systems and forecasting flows and water levels.......Forecasting of flows, overflow volumes, water levels, etc. in drainage systems can be applied in real time control of drainage systems in the future climate in order to fully utilize system capacity and thus save possible construction costs. An online system for forecasting flows and water levels...... in a small urban catchment has been developed. The forecast is based on application of radar rainfall data, which by a correlation based technique, is extrapolated with a lead time up to two hours. The runoff forecast in the drainage system is based on a fully distributed MOUSE model which is auto...

Flow network QSAR for the prediction of physicochemical properties by mapping an electrical resistance network onto a chemical reaction poset.

Science.gov (United States)

Ivanciuc, Ovidiu; Ivanciuc, Teodora; Klein, Douglas J

2013-06-01

Usual quantitative structure-activity relationship (QSAR) models are computed from unstructured input data, by using a vector of molecular descriptors for each chemical in the dataset. Another alternative is to consider the structural relationships between the chemical structures, such as molecular similarity, presence of certain substructures, or chemical transformations between compounds. We defined a class of network-QSAR models based on molecular networks induced by a sequence of substitution reactions on a chemical structure that generates a partially ordered set (or poset) oriented graph that may be used to predict various molecular properties with quantitative superstructure-activity relationships (QSSAR). The network-QSAR interpolation models defined on poset graphs, namely average poset, cluster expansion, and spline poset, were tested with success for the prediction of several physicochemical properties for diverse chemicals. We introduce the flow network QSAR, a new poset regression model in which the dataset of chemicals, represented as a reaction poset, is transformed into an oriented network of electrical resistances in which the current flow results in a potential at each node. The molecular property considered in the QSSAR model is represented as the electrical potential, and the value of this potential at a particular node is determined by the electrical resistances assigned to each edge and by a system of batteries. Each node with a known value for the molecular property is attached to a battery that sets the potential on that node to the value of the respective molecular property, and no external battery is attached to nodes from the prediction set, representing chemicals for which the values of the molecular property are not known or are intended to be predicted. The flow network QSAR algorithm determines the values of the molecular property for the prediction set of molecules by applying Ohm's law and Kirchhoff's current law to the poset

A numerical model for chemical reaction on slag layer surface and slag layer behavior in entrained-flow gasifier

Directory of Open Access Journals (Sweden)

Liu Sheng

2013-01-01

Full Text Available The paper concerns with slag layer accumulation, chemical reaction on slag layer surface, and slag layer flow, heat and mass transfer on the wall of entrained-flow coal gasifier. A slag layer model is developed to simulate slag layer behaviors in the coal gasifier. This 3-D model can predict temperature, slag particle disposition rate, disposition particle composition, and syngas distribution in the gasifier hearth. The model is used to evaluate the effects of O2/coal ratio on slag layer behaviors.

High performance in low-flow solar domestic hot water systems

Energy Technology Data Exchange (ETDEWEB)

Dayan, M.

1997-12-31

Low-flow solar hot water heating systems employ flow rates on the order of 1/5 to 1/10 of the conventional flow. Low-flow systems are of interest because the reduced flow rate allows smaller diameter tubing, which is less costly to install. Further, low-flow systems result in increased tank stratification. Lower collector inlet temperatures are achieved through stratification and the useful energy produced by the collector is increased. The disadvantage of low-flow systems is the collector heat removal factor decreases with decreasing flow rate. Many solar domestic hot water systems require an auxiliary electric source to operate a pump in order to circulate fluid through the solar collector. A photovoltaic driven pump can be used to replace the standard electrical pump. PV driven pumps provide an ideal means of controlling the flow rate, as pumps will only circulate fluid when there is sufficient radiation. Peak performance was always found to occur when the heat exchanger tank-side flow rate was approximately equal to the average load flow rate. For low collector-side flow rates, a small deviation from the optimum flow rate will dramatically effect system performance.

Versatile Dual Photoresponsive System for Precise Control of Chemical Reactions.

Science.gov (United States)

Xu, Can; Bing, Wei; Wang, Faming; Ren, Jinsong; Qu, Xiaogang

2017-08-22

A versatile method for photoregulation of chemical reactions was developed through a combination of near-infrared (NIR) and ultraviolet (UV) light sensitive materials. This regulatory effect was achieved through photoresponsive modulation of reaction temperature and pH values, two prominent factors influencing reaction kinetics. Photothermal nanomaterial graphene oxide (GO) and photobase reagent malachite green carbinol base (MGCB) were selected for temperature and pH regulation, respectively. Using nanocatalyst- and enzyme-mediated chemical reactions as model systems, we demonstrated the feasibility and high efficiency of this method. In addition, a photoresponsive, multifunctional "Band-aid"-like hydrogel platform was presented for programmable wound healing. Overall, this simple, efficient, and reversible system was found to be effective for controlling a wide variety of chemical reactions. Our work may provide a method for remote and sustainable control over chemical reactions for industrial and biomedical applications.

Highly efficient capillary polymerase chain reaction using an oscillation droplet microreactor

International Nuclear Information System (INIS)

Liu Dayu; Liang Guangtie; Lei Xiuxia; Chen Bin; Wang Wei; Zhou Xiaomian

2012-01-01

Graphical abstract: An oscillation-flow approach using a droplet reactor was developed to fully explore the potential of continuous-flow PCR. By fully utilizing interfacial chemistry, a water-in-oil (w/o) droplet was automatically generated by allowing an oil–water plug to flow through a polytetrafluoroethylene (PTFE) capillary. Due to the movement of aqueous phase relative to the oil phase, the droplet moves further into the middle of the oil plug with increase in migration distance. The resulting droplet was transported spanning the two heating zones and was employed as the reactor of oscillating-flow PCR. Highlights: ► Droplet formation in a capillary. ► Transport the droplet using oscillation-flow. ► Oscillation droplet PCR. ► Improved reaction efficiency. - Abstract: The current work presents the development of a capillary-based oscillation droplet approach to maximize the potential of a continuous-flow polymerase chain reaction (PCR). Through the full utilization of interfacial chemistry, a water-in-oil (w/o) droplet was generated by allowing an oil–water plug to flow along a polytetrafluoroethylene (PTFE) capillary. The w/o droplet functioned as the reactor for oscillating-flow PCR to provide a stable reaction environment, accelerate reagent mixing, and eliminate surface adsorption. The capillary PCR approach proposed in the current research offers high amplification efficiency, fast reaction speed, and easy system control attributable to the oscillation droplet reactor. Experimental results show that the droplet-based micro-PCR assay requires lower reaction volume (2 μL) and shorter reaction time (12 min) compared with conventional PCR methods. Taking the amplification of the New Delhi metallo-beta-lactamase (NDM-1) gene as an example, the present work demonstrates that the oscillation droplet PCR assay is capable of achieving high efficiency up to 89.5% and a detection limit of 10 DNA copies. The miniature PCR protocol developed in the current

Numerical investigation on MHD micropolar fluid flow toward a stagnation point on a vertical surface with heat source and chemical reaction

Directory of Open Access Journals (Sweden)

S. Baag

2017-01-01

Full Text Available In this paper, the steady magnetohydrodynamic (MHD mixed convection stagnation point flow of an incompressible and electrically conducting micropolar fluid past a vertical flat plate is investigated. The effects of induced magnetic field, heat generation/absorption and chemical reaction have been taken into account during the present study. Numerical solutions are obtained by using the Runge–Kutta fourth order scheme with shooting technique. The skin friction and rate of heat and mass transfer at the bounding surface are also calculated. The generality of the present study is assured of by discussing the works of Ramachandran et al. (1988, Lok et al. (2005 and Ishak et al. (2008 as particular cases. It is interesting to note that the results of the previous authors are in good agreement with the results of the present study tabulated which is evident from the tabular values. Further, the novelty of the present analysis is to account for the effects of first order chemical reaction in a flow of reactive diffusing species in the presence of heat source/sink. The discussion of the present study takes care of both assisting and opposing flows. From the computational aspect, it is remarked that results of finite difference (Ishak et al. (2008 and Runge–Kutta associated with shooting technique (present method yield same numerical results with a certain degree of accuracy. It is important to note that the thermal buoyancy parameter in opposing flow acts as a controlling parameter to prevent back flow. Diffusion of lighter foreign species, suitable for initiating a destructive reaction, is a suggestive measure for reducing skin friction.

Harnessing Thin-Film Continuous-Flow Assembly Lines.

Science.gov (United States)

Britton, Joshua; Castle, Jared W; Weiss, Gregory A; Raston, Colin L

2016-07-25

Inspired by nature's ability to construct complex molecules through sequential synthetic transformations, an assembly line synthesis of α-aminophosphonates has been developed. In this approach, simple starting materials are continuously fed through a thin-film reactor where the intermediates accrue molecular complexity as they progress through the flow system. Flow chemistry allows rapid multistep transformations to occur via reaction compartmentalization, an approach not amenable to using conventional flasks. Thin film processing can also access facile in situ solvent exchange to drive reaction efficiency, and through this method, α-aminophosphonate synthesis requires only 443 s residence time to produce 3.22 g h(-1) . Assembly-line synthesis allows unprecedented reaction flexibility and processing efficiency. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Front propagation in Rayleigh-Taylor systems with reaction

International Nuclear Information System (INIS)

Scagliarini, A; Biferale, L; Sbragaglia, M; Mantovani, F; Pivanti, M; Schifano, S F; Tripiccione, R; Pozzati, F; Toschi, F

2011-01-01

A special feature of Rayleigh-Taylor systems with chemical reactions is the competition between turbulent mixing and the 'burning processes', which leads to a highly non-trivial dynamics. We studied the problem performing high resolution numerical simulations of a 2d system, using a thermal lattice Boltzmann (LB) model. We spanned the various regimes emerging at changing the relative chemical/turbulent time scales, from slow to fast reaction; in the former case we found numerical evidence of an enhancement of the front propagation speed (with respect to the laminar case), providing a phenomenological argument to explain the observed behaviour. When the reaction is very fast, instead, the formation of sharp fronts separating patches of pure phases, leads to an increase of intermittency in the small scale statistics of the temperature field.

Systems and Sensors for Debris-flow Monitoring and Warning

Directory of Open Access Journals (Sweden)

Lorenzo Marchi

2008-04-01

Full Text Available Debris flows are a type of mass movement that occurs in mountain torrents. They consist of a high concentration of solid material in water that flows as a wave with a steep front. Debris flows can be considered a phenomenon intermediate between landslides and water floods. They are amongst the most hazardous natural processes in mountainous regions and may occur under different climatic conditions. Their destructiveness is due to different factors: their capability of transporting and depositing huge amounts of solid materials, which may also reach large sizes (boulders of several cubic meters are commonly transported by debris flows, their steep fronts, which may reach several meters of height and also their high velocities. The implementation of both structural and nonstructural control measures is often required when debris flows endanger routes, urban areas and other infrastructures. Sensor networks for debris-flow monitoring and warning play an important role amongst non-structural measures intended to reduce debris-flow risk. In particular, debris flow warning systems can be subdivided into two main classes: advance warning and event warning systems. These two classes employ different types of sensors. Advance warning systems are based on monitoring causative hydrometeorological processes (typically rainfall and aim to issue a warning before a possible debris flow is triggered. Event warning systems are based on detecting debris flows when these processes are in progress. They have a much smaller lead time than advance warning ones but are also less prone to false alarms. Advance warning for debris flows employs sensors and techniques typical of meteorology and hydrology, including measuring rainfall by means of rain gauges and weather radar and monitoring water discharge in headwater streams. Event warning systems use different types of sensors, encompassing ultrasonic or radar gauges, ground vibration sensors, videocameras, avalanche

Mars Ascent Vehicle Reaction Control System, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — During this Phase I NASA program, Valley Tech Systems (VTS) will develop an innovative solid Reaction Control System (RCS) architecture concept design that can...

The entropy dissipation method for spatially inhomogeneous reaction-diffusion-type systems

KAUST Repository

Di Francesco, M.; Fellner, K.; Markowich, P. A

2008-01-01

and reaction terms and admit fewer conservation laws than the size of the system. In particular, we successfully apply the entropy approach to general linear systems and to a nonlinear example of a reaction-diffusion-convection system arising in solid

Design of mass flow rate measurement system for SST-1 superconducting magnet system

Energy Technology Data Exchange (ETDEWEB)

Varmora, P., E-mail: pvamora@ipr.res.in; Sharma, A.N.; Khristi, Y.; Prasad, U.; Patel, D.; Doshi, K.; Pradhan, S.

2016-11-15

Highlights: • Design of Venturi meter for SST-1 magnet system. • Details of Helium mass flow measurement system used in SST-1. • Instruments and measurement techniques for flow measurement. • VME based data acquisition system details and flow calculation and results from SST-1 campaigns. - Abstract: Superconducting Magnet System (SCMS) of Steady State Superconducting Tokamak – 1 (SST-1) is forced-flow cooled by a closed cycle 1.3 kW (at 4.5 K) class Helium Refrigerator cum Liquefier (HRL) system. An accurate measurement of helium mass flow rate in different coils is required to ensure the uniform cooling of the cold mass in the entire range of operating temperature (300 K to 4.5 K) and pressure (0.9–0.4 MPa). To meet this requirement, indigenously designed and fabricated venturi meters are installed on 27 different coils of SST-1 SCMS. A VME based Data Acquisition System (DAS) has been developed and used to acquire the flow measurement data from different flowmeters. The details of the design of venturi meter, its different measurement and signal conditioning components, the data acquisition system and the mass flow rate calculation method are described in this paper. The mass flow rate measurement data from cryogenic acceptance and SST-1 magnet commissioning experiments are also presented and discussed in this paper.

Design of mass flow rate measurement system for SST-1 superconducting magnet system

International Nuclear Information System (INIS)

Varmora, P.; Sharma, A.N.; Khristi, Y.; Prasad, U.; Patel, D.; Doshi, K.; Pradhan, S.

2016-01-01

Highlights: • Design of Venturi meter for SST-1 magnet system. • Details of Helium mass flow measurement system used in SST-1. • Instruments and measurement techniques for flow measurement. • VME based data acquisition system details and flow calculation and results from SST-1 campaigns. - Abstract: Superconducting Magnet System (SCMS) of Steady State Superconducting Tokamak – 1 (SST-1) is forced-flow cooled by a closed cycle 1.3 kW (at 4.5 K) class Helium Refrigerator cum Liquefier (HRL) system. An accurate measurement of helium mass flow rate in different coils is required to ensure the uniform cooling of the cold mass in the entire range of operating temperature (300 K to 4.5 K) and pressure (0.9–0.4 MPa). To meet this requirement, indigenously designed and fabricated venturi meters are installed on 27 different coils of SST-1 SCMS. A VME based Data Acquisition System (DAS) has been developed and used to acquire the flow measurement data from different flowmeters. The details of the design of venturi meter, its different measurement and signal conditioning components, the data acquisition system and the mass flow rate calculation method are described in this paper. The mass flow rate measurement data from cryogenic acceptance and SST-1 magnet commissioning experiments are also presented and discussed in this paper.

Amplitude equations for a sub-diffusive reaction-diffusion system

International Nuclear Information System (INIS)

Nec, Y; Nepomnyashchy, A A

2008-01-01

A sub-diffusive reaction-diffusion system with a positive definite memory operator and a nonlinear reaction term is analysed. Amplitude equations (Ginzburg-Landau type) are derived for short wave (Turing) and long wave (Hopf) bifurcation points

Performance study of the anisotropic flow and reaction plane reconstruction in the CBM experiment

International Nuclear Information System (INIS)

Mikhaylov, V; Kugler, A; Kushpil, V; Tlustý, P; Selyuzhenkov, I

2016-01-01

The Projectile Spectator Detector (PSD) is a subsystem of the CBM experiment at the future FAIR facility designed to determine centrality and reaction plane orientation in the heavy-ion collisions. It will be done by measurement of the energy distribution of the heavy nucleons and nuclei fragments emitted close to the beam rapidity in forward direction. For the anticipated beam energies of FAIR SIS100 and SIS300 accelerators, different event generators (iQMD, UrQMD, DCM-QGSM, LA-QGSM and HSD) were used for the study of directed and elliptic proton flow in Au+Au collisions. Produced particles were transported with the GEANT4 Monte-Carlo using the CBM detector geometry. Performance of the reaction plane determination is shown for different PSD setups to demonstrate effects of the detector granularity and magnetic field. Simulation results are compared with the FOPI, AGS E877, E895 and STAR experimental data. (paper)

Transport Properties of a Kinetic Model for Chemical Reactions without Barriers

International Nuclear Information System (INIS)

Alves, Giselle M.; Kremer, Gilberto M.; Soares, Ana Jacinta

2011-01-01

A kinetic model of the Boltzmann equation for chemical reactions without energy barrier is considered here with the aim of evaluating the reaction rate and characterizing the transport coefficient of shear viscosity for the reactive system. The Chapman-Enskog solution of the Boltzmann equation is used to compute the chemical reaction effects, in a flow regime for which the reaction process is close to the final equilibrium state. Some numerical results are provided illustrating that the considered chemical reaction without energy barrier can induce an appreciable influence on the reaction rate and on the transport coefficient of shear viscosity.

The flow equation approach to many-particle systems

CERN Document Server

Kehrein, Stefan; Fujimori, A; Varma, C; Steiner, F

2006-01-01

This self-contained monograph addresses the flow equation approach to many-particle systems. The flow equation approach consists of a sequence of infinitesimal unitary transformations and is conceptually similar to renormalization and scaling methods. Flow equations provide a framework for analyzing Hamiltonian systems where these conventional many-body techniques fail. The text first discusses the general ideas and concepts of the flow equation method. In a second part these concepts are illustrated with various applications in condensed matter theory including strong-coupling problems and non-equilibrium systems. The monograph is accessible to readers familiar with graduate- level solid-state theory.

Universal method for effusive-flow characterization target ion source/vapor transport systems for radioactive ion beam generation (abstract)

International Nuclear Information System (INIS)

Alton, G.D.; Bilheux, J.-C.; Liu, Y.; Cole, J. A.; Williams, C.

2004-01-01

Worldwide interest in the use of accelerated radioactive ion beams (RIBs) for exploring reactions important in understanding the structure of the nucleus and nuclear astrophysical phenomena has motivated the construction of facilities dedicated to their production and acceleration. Many facilities utilize the isotope-separator-on-line (ISOL) method in which species of interest are generated within a solid or liquid target matrix. Experimentally useful RIBs are often difficult to generate by this technique because of the times required for diffusion from the interior of the target material, and to effusively transport the species of interest to the ion source following diffusion release in relation to its lifetime. Therefore, these delay times must be minimized. We have developed an experimental method that can be used to determine effusive-flow times of arbitrary geometry target/vapor transport systems. The technique utilizes a fast valve to measure effusive-flow times as short as 0.1 ms for any chemically active or inactive species through any target system, independent of size, geometry and materials of construction. In this report, we provide a theoretical basis for effusive flow through arbitrary geometry vapor transport systems, describe a universal experimental apparatus for measuring effusive-flow times, and provide time spectra for noble gases through prototype RIB target/vapor-transport systems

Redox regulation and pro-oxidant reactions in the physiology of circadian systems.

Science.gov (United States)

Méndez, Isabel; Vázquez-Martínez, Olivia; Hernández-Muñoz, Rolando; Valente-Godínez, Héctor; Díaz-Muñoz, Mauricio

2016-05-01

Rhythms of approximately 24 h are pervasive in most organisms and are known as circadian. There is a molecular circadian clock in each cell sustained by a feedback system of interconnected "clock" genes and transcription factors. In mammals, the timing system is formed by a central pacemaker, the suprachiasmatic nucleus, in coordination with a collection of peripheral oscillators. Recently, an extensive interconnection has been recognized between the molecular circadian clock and the set of biochemical pathways that underlie the bioenergetics of the cell. A principle regulator of metabolic networks is the flow of electrons between electron donors and acceptors. The concomitant reduction and oxidation (redox) reactions directly influence the balance between anabolic and catabolic processes. This review summarizes and discusses recent findings concerning the mutual and dynamic interactions between the molecular circadian clock, redox reactions, and redox signaling. The scope includes the regulatory role played by redox coenzymes (NAD(P)+/NAD(P)H, GSH/GSSG), reactive oxygen species (superoxide anion, hydrogen peroxide), antioxidants (melatonin), and physiological events that modulate the redox state (feeding condition, circadian rhythms) in determining the timing capacity of the molecular circadian clock. In addition, we discuss a purely metabolic circadian clock, which is based on the redox enzymes known as peroxiredoxins and is present in mammalian red blood cells and in other biological systems. Both the timing system and the metabolic network are key to a better understanding of widespread pathological conditions such as the metabolic syndrome, obesity, and diabetes. Copyright © 2015 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

Synthesis of hexagonal gold nanoparticles using a microfluidic reaction system

International Nuclear Information System (INIS)

Weng, Chen-Hsun; Lee, Gwo-Bin; Huang, Chih-Chia; Yeh, Chen-Sheng; Lei, Huan-Yao

2008-01-01

A new microfluidic reaction system capable of mixing, transporting and reacting is developed for the synthesis of gold nanoparticles. It allows for a rapid and a cost-effective approach to accelerate the synthesis of gold nanoparticles. The microfluidic reaction chip is made from micro-electro-mechanical-system technologies which integrate a micro-mixer, micro-pumps, a micro-valve, micro-heaters and a micro temperature sensor on a single chip. Successful synthesis of dispersed gold nanoparticles has been demonstrated within a shorter period of time, as compared to traditional methods. It is experimentally found that precise control of the mixing/heating time for gold salts and reducing agents plays an essential role in the synthesis of gold nanoparticles. The growth process of hexagonal gold nanoparticles by a thermal aqueous approach is also systematically studied by using the same microfluidic reaction system. The development of the microfluidic reaction system could be promising for the synthesis of functional nanoparticles for future biomedical applications

Control of District Heating System with Flow-dependent Delays

DEFF Research Database (Denmark)

Bendtsen, Jan Dimon; Ledesma, Jorge Val; Kallesøe, Carsten Skovmose

2017-01-01

All flow systems are subject to transport delays, which are governed by the flow rates in the system. When the flow rates themselves are control inputs, the system becomes subject to input-dependent state delays, which poses significant theoretical problems. In an earlier paper, we proposed...

Kinetic parameters of hydroprocessing reactions in a flow reactor

Energy Technology Data Exchange (ETDEWEB)

Raychaudhuri, U.; Banerjee, T.S.; Ghar, R.N. (Indian Institute of Technology, Kharagpur (India))

1994-01-01

The change in distillation properties of a blend of light and heavy distillates over a commercial hydrotreating catalyst was studied using a small packed bed reactor. The results were interpreted assuming a pseudo-component model that took into account the physical and chemical complexity of the system. A first order series-parallel reaction mechanism was found to be valid for the operating conditions involved. Pore diffusion effects were also taken into consideration. 8 refs., 7 figs., 1 tab.

Modeling convection-diffusion-reaction systems for microfluidic molecular communications with surface-based receivers in Internet of Bio-Nano Things.

Directory of Open Access Journals (Sweden)

Murat Kuscu

Full Text Available We consider a microfluidic molecular communication (MC system, where the concentration-encoded molecular messages are transported via fluid flow-induced convection and diffusion, and detected by a surface-based MC receiver with ligand receptors placed at the bottom of the microfluidic channel. The overall system is a convection-diffusion-reaction system that can only be solved by numerical methods, e.g., finite element analysis (FEA. However, analytical models are key for the information and communication technology (ICT, as they enable an optimisation framework to develop advanced communication techniques, such as optimum detection methods and reliable transmission schemes. In this direction, we develop an analytical model to approximate the expected time course of bound receptor concentration, i.e., the received signal used to decode the transmitted messages. The model obviates the need for computationally expensive numerical methods by capturing the nonlinearities caused by laminar flow resulting in parabolic velocity profile, and finite number of ligand receptors leading to receiver saturation. The model also captures the effects of reactive surface depletion layer resulting from the mass transport limitations and moving reaction boundary originated from the passage of finite-duration molecular concentration pulse over the receiver surface. Based on the proposed model, we derive closed form analytical expressions that approximate the received pulse width, pulse delay and pulse amplitude, which can be used to optimize the system from an ICT perspective. We evaluate the accuracy of the proposed model by comparing model-based analytical results to the numerical results obtained by solving the exact system model with COMSOL Multiphysics.

Modeling convection-diffusion-reaction systems for microfluidic molecular communications with surface-based receivers in Internet of Bio-Nano Things.

Science.gov (United States)

Kuscu, Murat; Akan, Ozgur B

2018-01-01

We consider a microfluidic molecular communication (MC) system, where the concentration-encoded molecular messages are transported via fluid flow-induced convection and diffusion, and detected by a surface-based MC receiver with ligand receptors placed at the bottom of the microfluidic channel. The overall system is a convection-diffusion-reaction system that can only be solved by numerical methods, e.g., finite element analysis (FEA). However, analytical models are key for the information and communication technology (ICT), as they enable an optimisation framework to develop advanced communication techniques, such as optimum detection methods and reliable transmission schemes. In this direction, we develop an analytical model to approximate the expected time course of bound receptor concentration, i.e., the received signal used to decode the transmitted messages. The model obviates the need for computationally expensive numerical methods by capturing the nonlinearities caused by laminar flow resulting in parabolic velocity profile, and finite number of ligand receptors leading to receiver saturation. The model also captures the effects of reactive surface depletion layer resulting from the mass transport limitations and moving reaction boundary originated from the passage of finite-duration molecular concentration pulse over the receiver surface. Based on the proposed model, we derive closed form analytical expressions that approximate the received pulse width, pulse delay and pulse amplitude, which can be used to optimize the system from an ICT perspective. We evaluate the accuracy of the proposed model by comparing model-based analytical results to the numerical results obtained by solving the exact system model with COMSOL Multiphysics.

Bistability, electric potentials and sensor behaviour in an enzymatic reaction system

International Nuclear Information System (INIS)

Malchow, H.; Felber, F.

1987-07-01

A special ionic enzyme kinetics in a continuously stirred flow reactor which is membrane coupled to a reservoir is considered starting from a general expression for the substrate dependence of enzymatic reaction rates including pH effects. Both bistability of the reaction and electric potentials between the interior and exterior of the reactor can be observed having regard to mass and charge conservation as well as global electroneutrality. The sudden jumps at critical concentration values from one stable solution branch to the other on a hysteresis loop are supposed to be the basic action principle of a non-equilibrium concentration threshold sensor. (author). 38 refs, 3 figs

High anisotropy of flow-aligned bicellar membrane systems

KAUST Repository

Kogan, Maxim

2013-10-01

In recent years, multi-lipid bicellar systems have emerged as promising membrane models. The fast orientational diffusion and magnetic alignability made these systems very attractive for NMR investigations. However, their alignment was so far achieved with a strong magnetic field, which limited their use with other methods that require macroscopic orientation. Recently, it was shown that bicelles could be aligned also by shear flow in a Couette flow cell, making it applicable to structural and biophysical studies by polarized light spectroscopy. Considering the sensitivity of this lipid system to small variations in composition and physicochemical parameters, efficient use of such a flow-cell method with coupled techniques will critically depend on the detailed understanding of how the lipid systems behave under flow conditions. In the present study we have characterized the flow alignment behavior of the commonly used dimyristoyl phosphatidylcholine/dicaproyl phosphatidylcholine (DMPC/DHPC) bicelle system, for various temperatures, lipid compositions, and lipid concentrations. We conclude that at optimal flow conditions the selected bicellar systems can produce the most efficient flow alignment out of any lipid systems used so far. The highest degree of orientation of DMPC/DHPC samples is noticed in a narrow temperature interval, at a practical temperature around 25 C, most likely in the phase transition region characterized by maximum sample viscosity. The change of macroscopic orientation factor as function of the above conditions is now described in detail. The increase in macroscopic alignment observed for bicelles will most likely allow recording of higher resolution spectra on membrane systems, which provide deeper structural insight and analysis into properties of biomolecules interacting with solution phase lipid membranes. © 2013 Elsevier Ireland Ltd.

Delay-induced wave instabilities in single-species reaction-diffusion systems

Science.gov (United States)

Otto, Andereas; Wang, Jian; Radons, Günter

2017-11-01

The Turing (wave) instability is only possible in reaction-diffusion systems with more than one (two) components. Motivated by the fact that a time delay increases the dimension of a system, we investigate the presence of diffusion-driven instabilities in single-species reaction-diffusion systems with delay. The stability of arbitrary one-component systems with a single discrete delay, with distributed delay, or with a variable delay is systematically analyzed. We show that a wave instability can appear from an equilibrium of single-species reaction-diffusion systems with fluctuating or distributed delay, which is not possible in similar systems with constant discrete delay or without delay. More precisely, we show by basic analytic arguments and by numerical simulations that fast asymmetric delay fluctuations or asymmetrically distributed delays can lead to wave instabilities in these systems. Examples, for the resulting traveling waves are shown for a Fisher-KPP equation with distributed delay in the reaction term. In addition, we have studied diffusion-induced instabilities from homogeneous periodic orbits in the same systems with variable delay, where the homogeneous periodic orbits are attracting resonant periodic solutions of the system without diffusion, i.e., periodic orbits of the Hutchinson equation with time-varying delay. If diffusion is introduced, standing waves can emerge whose temporal period is equal to the period of the variable delay.

Acceleration of coupled granular flow and fluid flow simulations in pebble bed energy systems

Energy Technology Data Exchange (ETDEWEB)

Li, Yanheng, E-mail: liy19@rpi.edu [Department of Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, 110 8th Street, Troy, NY (United States); Ji, Wei, E-mail: jiw2@rpi.edu [Department of Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, 110 8th Street, Troy, NY (United States)

2013-05-15

Highlights: ► Fast simulation of coupled pebble flow and coolant flow in PBR systems is studied. ► Dimension reduction based on axisymmetric geometry shows significant speedup. ► Relaxation of coupling frequency is investigated and an optimal range is determined. ► A total of 80% efficiency increase is achieved by the two fast strategies. ► Fast strategies can be applied to simulating other general fluidized bed systems. -- Abstract: Fast and accurate approaches to simulating the coupled particle flow and fluid flow are of importance to the analysis of large particle-fluid systems. This is especially needed when one tries to simulate pebble flow and coolant flow in Pebble Bed Reactor (PBR) energy systems on a routine basis. As one of the Generation IV designs, the PBR design is a promising nuclear energy system with high fuel performance and inherent safety. A typical PBR core can be modeled as a particle-fluid system with strong interactions among pebbles, coolants and reactor walls. In previous works, the coupled Discrete Element Method (DEM)-Computational Fluid Dynamics (CFD) approach has been investigated and applied to modeling PBR systems. However, the DEM-CFD approach is computationally expensive due to large amounts of pebbles in PBR systems. This greatly restricts the PBR analysis for the real time prediction and inclusion of more physics. In this work, based on the symmetry of the PBR geometry and the slow motion characteristics of the pebble flow, two acceleration strategies are proposed. First, a simplified 3D-DEM/2D-CFD approach is proposed to speed up the DEM-CFD simulation without loss of accuracy. Pebble flow is simulated by a full 3D DEM, while the coolant flow field is calculated with a 2D CFD simulation by averaging variables along the annular direction in the cylindrical and annular geometries. Second, based on the slow motion of pebble flow, the impact of the coupling frequency on the computation accuracy and efficiency is

Acceleration of coupled granular flow and fluid flow simulations in pebble bed energy systems

International Nuclear Information System (INIS)

Li, Yanheng; Ji, Wei

2013-01-01

Highlights: ► Fast simulation of coupled pebble flow and coolant flow in PBR systems is studied. ► Dimension reduction based on axisymmetric geometry shows significant speedup. ► Relaxation of coupling frequency is investigated and an optimal range is determined. ► A total of 80% efficiency increase is achieved by the two fast strategies. ► Fast strategies can be applied to simulating other general fluidized bed systems. -- Abstract: Fast and accurate approaches to simulating the coupled particle flow and fluid flow are of importance to the analysis of large particle-fluid systems. This is especially needed when one tries to simulate pebble flow and coolant flow in Pebble Bed Reactor (PBR) energy systems on a routine basis. As one of the Generation IV designs, the PBR design is a promising nuclear energy system with high fuel performance and inherent safety. A typical PBR core can be modeled as a particle-fluid system with strong interactions among pebbles, coolants and reactor walls. In previous works, the coupled Discrete Element Method (DEM)-Computational Fluid Dynamics (CFD) approach has been investigated and applied to modeling PBR systems. However, the DEM-CFD approach is computationally expensive due to large amounts of pebbles in PBR systems. This greatly restricts the PBR analysis for the real time prediction and inclusion of more physics. In this work, based on the symmetry of the PBR geometry and the slow motion characteristics of the pebble flow, two acceleration strategies are proposed. First, a simplified 3D-DEM/2D-CFD approach is proposed to speed up the DEM-CFD simulation without loss of accuracy. Pebble flow is simulated by a full 3D DEM, while the coolant flow field is calculated with a 2D CFD simulation by averaging variables along the annular direction in the cylindrical and annular geometries. Second, based on the slow motion of pebble flow, the impact of the coupling frequency on the computation accuracy and efficiency is

An analog simulation technique for distributed flow systems

DEFF Research Database (Denmark)

Jørgensen, Sten Bay; Kümmel, Mogens

1973-01-01

earlier[3]. This is an important extension since flow systems are frequently controlled through manipulation of the flow rate. Previously the tech­nique has been applied with constant flows [4, 5]. Results demonstrating the new hardware are presented from simula­tion of a transportation lag and a double......Simulation of distributed flow systems in chemical engine­ering has been applied more and more during the last decade as computer techniques have developed [l]. The applications have served the purpose of identification of process dynamics and parameter estimation as well as improving process...... and process control design. Although the conventional analog computer has been expanded with hybrid techniques and digital simulation languages have appeared, none of these has demonstrated superiority in simulating distributed flow systems in general [l]. Conventional analog techniques are expensive...

Stability Analysis of Reactive Multiphase Slug Flows in Microchannels

Directory of Open Access Journals (Sweden)

Alejandro A. Munera Parra

2014-05-01

Full Text Available Conducting multiphase reactions in micro-reactors is a promising strategy for intensifying chemical and biochemical processes. A major unresolved challenge is to exploit the considerable benefits offered by micro-scale operation for industrial scale throughputs by numbering-up whilst retaining the underlying advantageous flow characteristics of the single channel system in multiple parallel channels. Fabrication and installation tolerances in the individual micro-channels result in different pressure losses and, thus, a fluid maldistribution. In this work, an additional source of maldistribution, namely the flow multiplicities, which can arise in a multiphase reactive or extractive flow in otherwise identical micro-channels, was investigated. A detailed experimental and theoretical analysis of the flow stability with and without reaction for both gas-liquid and liquid-liquid slug flow has been developed. The model has been validated using the extraction of acetic acid from n-heptane with the ionic liquid 1-Ethyl-3-methylimidazolium ethyl sulfate. The results clearly demonstrate that the coupling between flow structure, the extent of reaction/extraction and pressure drop can result in multiple operating states, thus, necessitating an active measurement and control concept to ensure uniform behavior and optimal performance.

Chemiluminescent determination of vanadium(IV) using a cinchomeronic hydrazide-H2O2 system and flow injection analysis

International Nuclear Information System (INIS)

Pradana Perez, J.A.; Alegria, J.S. Durand; Hernando, P. Fernandez; Sierra, A. Narros

2005-01-01

This paper proposes a new chemiluminescent flow injection analysis (FIA) method for the determination of vanadium(IV) ions in aqueous media. The method is based on the chemiluminescent reaction that occurs between cinchomeronic hydrazide (CH) and hydrogen peroxide in a strongly alkaline medium, in which vanadium(IV) acts as a catalyst. The chemical and physical variables involved in the flow injection system are optimised using a modified simplex method. Vanadium ions can be detected in the 0.08 and 1.00 μg mL -1 range; the detection limit for a signal-to-noise ratio of 3 is 0.08 μg mL -1 . Great variations in the quantum yield were observed when cobalt(II), chromium(III), copper(II) and/or nickel(II) were present in the reaction medium. The proposed method is selective and simple, and can be successfully used to analyse water samples without the need for separation or preconcentration processes

In operando observation system for electrochemical reaction by soft X-ray absorption spectroscopy with potential modulation method

International Nuclear Information System (INIS)

Nagasaka, Masanari; Kosugi, Nobuhiro; Yuzawa, Hayato; Horigome, Toshio

2014-01-01

In order to investigate local structures of electrolytes in electrochemical reactions under the same scan rate as a typical value 100 mV/s in cyclic voltammetry (CV), we have developed an in operando observation system for electrochemical reactions by soft X-ray absorption spectroscopy (XAS) with a potential modulation method. XAS spectra of electrolytes are measured by using a transmission-type liquid flow cell with built-in electrodes. The electrode potential is swept with a scan rate of 100 mV/s at a fixed photon energy, and soft X-ray absorption coefficients at different potentials are measured at the same time. By repeating the potential modulation at each fixed photon energy, it is possible to measure XAS of electrochemical reaction at the same scan rate as in CV. We have demonstrated successful measurement of the Fe L-edge XAS spectra of aqueous iron sulfate solutions and of the change in valence of Fe ions at different potentials in the Fe redox reaction. The mechanism of these Fe redox processes is discussed by correlating the XAS results with those at different scan rates

A compact self-flowing lithium system for use in an industrial neutron source

Science.gov (United States)

Kalathiparambil, Kishor Kumar; Szott, Matthew; Jurczyk, Brian; Ahn, Chisung; Ruzic, David

2016-10-01

A compact trench module to flow liquid lithium in closed loops for handling high heat and particle flux have been fabricated and tested at UIUC. The module was designed to demonstrate the proof of concept in utilizing liquid metals for two principal objectives: i) as self-healing low Z plasma facing components, which is expected to solve the issues facing the current high Z components and ii) using flowing lithium as an MeV-level neutron source. A continuously flowing lithium loop ensures a fresh lithium interface and also accommodate a higher concentration of D, enabling advanced D-Li reactions without using any radioactive tritium. Such a system is expected to have a base yield of 10e7 n/s. For both the applications, the key success factor of the module is attaining the necessary high flow velocity of the lithium especially over the impact area, which will be the disruptive plasma events in fusion reactors and the incident ion beam for the neutron beam source. This was achieved by the efficient shaping of the trenches to exploit the nozzle effect in liquid flow. The compactness of the module, which can also be scaled as desired, was fulfilled by the use of high Tc permanent magnets and air cooled channels attained the necessary temperature gradient for driving the lithium. The design considerations and parameters, experimental arrangements involving lithium filling and attaining flow, data and results obtained will be elaborated. DOE SBIR project DE-SC0013861.

Position paper -- Tank ventilation system design air flow rates

International Nuclear Information System (INIS)

Goolsby, G.K.

1995-01-01

The purpose of this paper is to document a project position on required ventilation system design air flow rates for the waste storage tanks currently being designed by project W-236A, the Multi-Function Waste Tank Facility (MWTF). The Title 1 design primary tank heat removal system consists of two systems: a primary tank vapor space ventilation system; and an annulus ventilation system. At the conclusion of Title 1 design, air flow rates for the primary and annulus ventilation systems were 960 scfm and 4,400 scfm, respectively, per tank. These design flow rates were capable of removing 1,250,000 Btu/hr from each tank. However, recently completed and ongoing studies have resulted in a design change to reduce the extreme case heat load to 700,000 Btu/hr. This revision of the extreme case heat load, coupled with results of scale model evaporative testing performed by WHC Thermal Hydraulics, allow for a reduction of the design air flow rates for both primary and annulus ventilation systems. Based on the preceding discussion, ICF Kaiser Hanford Co. concludes that the design should incorporate the following design air flow rates: Primary ventilation system--500 scfm maximum and Annulus ventilation system--1,100 scfm maximum. In addition, the minimum air flow rates in the primary and annulus ventilation systems will be investigated during Title 2 design. The results of the Title 2 investigation will determine the range of available temperature control using variable air flows to both ventilation systems

Interplay of Proximal Flow Confluence and Distal Flow Divergence in Patient-Specific Vertebrobasilar System.

Directory of Open Access Journals (Sweden)

Xiaoping Yin

Full Text Available Approximately one-quarter of ischemic strokes involve the vertebrobasilar arterial system that includes the upstream flow confluence and downstream flow divergence. A patient-specific hemodynamic analysis is needed to understand the posterior circulation. The objective of this study is to determine the distribution of hemodynamic parameters in the vertebrobasilar system, based on computer tomography angiography images. Here, the interplay of upstream flow confluence and downstream flow divergence was hypothesized to be a determinant factor for the hemodynamic distribution in the vertebrobasilar system. A computational fluid dynamics model was used to compute the flow fields in patient-specific vertebrobasilar models (n = 6. The inlet and outlet boundary conditions were the aortic pressure waveform and flow resistances, respectively. A 50% reduction of total outlet area was found to induce a ten-fold increase in surface area ratio of low time-averaged wall shear stress (i.e., TAWSS ≤ 4 dynes/cm2. This study enhances our understanding of the posterior circulation associated with the incidence of atherosclerotic plaques.

Assessment of cleaning efficiency of the polydisperse gas flow in double-flow dedusting system

Directory of Open Access Journals (Sweden)

O.G. Butenko

2016-05-01

Full Text Available One of priority problems of nature protection activity at the industrial enterprises is upgrading the gas emissions cleaning of polydispersed dust. To solve the problem of catching of small fraction dust the double-flow dedusting system has been offered. Aim: The aim of the work is to determine the dependency type of the cleaning efficiency of polydisperse gas flow on gas separation factor double-flow dedusting system. Materials and methods: The analysis of influence of gas separation factor in the dividing device of double-flow dedusting system on its efficiency is carried out. By drawing up the mass balance of system on gas and on the mass of dust the general dependence for breakthrough of the main catcher, characterizing overall effectiveness of system, is received. Results: It is shown that value of breakthrough factor of the main catcher depends on dimensionless efficiency factors of the equipment. The received general dependence of breakthrough factor on separation factor allows to define the optimum value of separation factor for any combined dedusting system.

Energy flow and particle spectra with respect to the reaction plane for Au+Au collisions at AGS energies

International Nuclear Information System (INIS)

Zhang Yingchao; Wessels, J.P.

1995-01-01

Transverse energy flow is studied by exploiting the near 4π calorimetric coverage of experiment E877. A Fourier decomposition of the azimuthal transverse energy distributions in different regions of pseudorapidity is performed as a function of the centrality in order to describe the event shape. The extracted coefficients are compared to model predictions. Using the E877 forward spectrometer, triple differential cross section for protons and π + are measured with respect to the reaction plane determined by calorimeters. The variation of slope parameters at different orientations to the reaction plane is obtained by fitting to thermal Boltzmann distributions. (orig.)

Novel simplified hourly energy flow models for photovoltaic power systems

International Nuclear Information System (INIS)

Khatib, Tamer; Elmenreich, Wilfried

2014-01-01

Highlights: • We developed an energy flow model for standalone PV system using MATLAB line code. • We developed an energy flow model for hybrid PV/wind system using MATLAB line code. • We developed an energy flow model for hybrid PV/diesel system using MATLAB line code. - Abstract: This paper presents simplified energy flow models for photovoltaic (PV) power systems using MATLAB. Three types of PV power system are taken into consideration namely standalone PV systems, hybrid PV/wind systems and hybrid PV/diesel systems. The logic of the energy flow for each PV power system is discussed first and then the MATLAB line codes for these models are provided and explained. The results prove the accuracy of the proposed models. Such models help modeling and sizing PV systems

Externally controlled anisotropy in pattern-forming reaction-diffusion systems.

Science.gov (United States)

Escala, Dario M; Guiu-Souto, Jacobo; Muñuzuri, Alberto P

2015-06-01

The effect of centrifugal forces is analyzed in a pattern-forming reaction-diffusion system. Numerical simulations conducted on the appropriate extension of the Oregonator model for the Belousov-Zhabotinsky reaction show a great variety of dynamical behaviors in such a system. In general, the system exhibits an anisotropy that results in new types of patterns or in a global displacement of the previous one. We consider the effect of both constant and periodically modulated centrifugal forces on the different types of patterns that the system may exhibit. A detailed analysis of the patterns and behaviors observed for the different parameter values considered is presented here.

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,...

Nuclear reaction studies

International Nuclear Information System (INIS)

Alexander, J.M.; Lacey, R.A.

1994-01-01

Research focused on the statistical and dynamical properties of ''hot'' nuclei formed in symmetric heavy-ion reactions. Theses included ''flow'' measurements and the mechanism for multifragment disassembly. Model calculations are being performed for the reactions C+C, Ne+Al, Ar+Sc, Kr+Nb, and Xe+La. It is planned to study 40 Ar reactions from 27 to 115 MeV/nucleon. 2 figs., 41 refs

Guide to Flow Measurement for Electric Propulsion Systems

Science.gov (United States)

Frieman, Jason D.; Walker, Mitchell L. R.; Snyder, Steve

2013-01-01

In electric propulsion (EP) systems, accurate measurement of the propellant mass flow rate of gas or liquid to the thruster and external cathode is a key input in the calculation of thruster efficiency and specific impulse. Although such measurements are often achieved with commercial mass flow controllers and meters integrated into propellant feed systems, the variability in potential propellant options and flow requirements amongst the spectrum of EP power regimes and devices complicates meter selection, integration, and operation. At the direction of the Committee on Standards for Electric Propulsion Testing, a guide was jointly developed by members of the electric propulsion community to establish a unified document that contains the working principles, methods of implementation and analysis, and calibration techniques and recommendations on the use of mass flow meters in laboratory and spacecraft electric propulsion systems. The guide is applicable to EP devices of all types and power levels ranging from microthrusters to high-power ion engines and Hall effect thrusters. The establishment of a community standard on mass flow metering will help ensure the selection of the proper meter for each application. It will also improve the quality of system performance estimates by providing comprehensive information on the physical phenomena and systematic errors that must be accounted for during the analysis of flow measurement data. This paper will outline the standard methods and recommended practices described in the guide titled "Flow Measurement for Electric Propulsion Systems."

The effect of a crosslinking chemical reaction on pattern formation in viscous fingering of miscible fluids in a Hele-Shaw cell

Science.gov (United States)

Bunton, Patrick H.; Tullier, Michael P.; Meiburg, Eckart; Pojman, John A.

2017-10-01

Viscous fingering can occur in fluid motion whenever a high mobility fluid displaces a low mobility fluid in a Darcy type flow. When the mobility difference is primarily attributable to viscosity (e.g., flow between the two horizontal plates of a Hele-Shaw cell), viscous fingering (VF) occurs, which is sometimes termed the Saffman-Taylor instability. Alternatively, in the presence of differences in density in a gravity field, buoyancy-driven convection can occur. These instabilities have been studied for decades, in part because of their many applications in pollutant dispersal, ocean currents, enhanced petroleum recovery, and so on. More recent interest has emerged regarding the effects of chemical reactions on fingering instabilities. As chemical reactions change the key flow parameters (densities, viscosities, and concentrations), they may have either a destabilizing or stabilizing effect on the flow. Hence, new flow patterns can emerge; moreover, one can then hope to gain some control over flow instabilities through reaction rates, flow rates, and reaction products. We report effects of chemical reactions on VF in a Hele-Shaw cell for a reactive step-growth cross-linking polymerization system. The cross-linked reaction product results in a non-monotonic viscosity profile at the interface, which affects flow stability. Furthermore, three-dimensional internal flows influence the long-term pattern that results.

Transient core characteristics of small molten salt reactor coupling problem between heat transfer/flow and nuclear fission reaction

International Nuclear Information System (INIS)

Yamamoto, Takahisa; Mitachi, Koshi

2004-01-01

This paper performed the transient core analysis of a small Molten Salt Reactor (MSR). The emphasis is that the numerical model employed in this paper takes into account the interaction among fuel salt flow, nuclear reaction and heat transfer. The model consists of two group diffusion equations for fast and thermal neutron fluexs, balance equations for six-group delayed neutron precursors and energy conservation equations for fuel salt and graphite moderator. The results of transient analysis are that (1) fission reaction (heat generation) rate significantly increases soon after step reactivity insertion, e.g., the peak of fission reaction rate achieves about 2.7 times larger than the rated power 350 MW when the reactivity of 0.15% Δk/k 0 is inserted to the rated state, and (2) the self-control performance of the small MSR effectively works under the step reactivity insertion of 0.56% Δk/k 0 , putting the fission reaction rate back on the rated state. (author)

Dual redox catalysts for oxygen reduction and evolution reactions: towards a redox flow Li-O2 battery.

Science.gov (United States)

Zhu, Yun Guang; Jia, Chuankun; Yang, Jing; Pan, Feng; Huang, Qizhao; Wang, Qing

2015-06-11

A redox flow lithium-oxygen battery (RFLOB) by using soluble redox catalysts with good performance was demonstrated for large-scale energy storage. The new device enables the reversible formation and decomposition of Li2O2 via redox targeting reactions in a gas diffusion tank, spatially separated from the electrode, which obviates the passivation and pore clogging of the cathode.

EFFECTS OF PORE STRUCTURE CHANGE AND MULTI-SCALE HETEROGENEITY ON CONTAMINANT TRANSPORT AND REACTION RATE UPSCALING

Energy Technology Data Exchange (ETDEWEB)

Peters, Catherine A [Princeton University

2013-05-15

This project addressed the scaling of geochemical reactions to core and field scales, and the interrelationship between reaction rates and flow in porous media. We targeted reactive transport problems relevant to the Hanford site specifically the reaction of highly caustic, radioactive waste solutions with subsurface sediments, and the immobilization of 90Sr and 129I through mineral incorporation and passive flow blockage, respectively. We addressed the correlation of results for pore-scale fluid-soil interaction with field-scale fluid flow, with the specific goals of (i) predicting attenuation of radionuclide concentration; (ii) estimating changes in flow rates through changes of soil permeabilities; and (iii) estimating effective reaction rates. In supplemental work, we also simulated reactive transport systems relevant to geologic carbon sequestration. As a whole, this research generated a better understanding of reactive transport in porous media, and resulted in more accurate methods for reaction rate upscaling and improved prediction of permeability evolution. These scientific advancements will ultimately lead to better tools for management and remediation of DOE legacy waste problems.

Development of nuclear reaction data retrieval system on Meme media

International Nuclear Information System (INIS)

Ohbayasi, Yosihide; Masui, Hiroshi; Aoyama, Shigeyoshi; Kato, Kiyoshi; Chiba, Masaki

2000-01-01

A newly designed retrieval system of charged particle nuclear reaction data is developed on Meme media architecture. We designed the network-based (client-server) retrieval system. The server system is constructed on a UNIX workstation with a relational database, and the client system is constructed on Microsoft Windows PC using an IntelligentPad software package. The IntelligentPad is currently available as developing Meme media. We will develop the system to realize effective utilization of nuclear reaction data: I. 'Re-production, Re-edit, Re-use', II. 'Circulation, Coordination and Evolution', III. 'Knowledge discovery'. (author)

Stochastic thermodynamics and entropy production of chemical reaction systems

Science.gov (United States)

Tomé, Tânia; de Oliveira, Mário J.

2018-06-01

We investigate the nonequilibrium stationary states of systems consisting of chemical reactions among molecules of several chemical species. To this end, we introduce and develop a stochastic formulation of nonequilibrium thermodynamics of chemical reaction systems based on a master equation defined on the space of microscopic chemical states and on appropriate definitions of entropy and entropy production. The system is in contact with a heat reservoir and is placed out of equilibrium by the contact with particle reservoirs. In our approach, the fluxes of various types, such as the heat and particle fluxes, play a fundamental role in characterizing the nonequilibrium chemical state. We show that the rate of entropy production in the stationary nonequilibrium state is a bilinear form in the affinities and the fluxes of reaction, which are expressed in terms of rate constants and transition rates, respectively. We also show how the description in terms of microscopic states can be reduced to a description in terms of the numbers of particles of each species, from which follows the chemical master equation. As an example, we calculate the rate of entropy production of the first and second Schlögl reaction models.

Mercury flow experiments. 4th report Measurements of erosion rate caused by mercury flow

CERN Document Server

Kinoshita, H; Hino, R; Kaminaga, M

2002-01-01

The Japan Atomic Energy Research Institute (JAERI) and the High Energy Accelerator Research Organization (KEK) are promoting a construction plan of the Material-Life Science Facility, which is consisted of a Muon Science Facility and a Neutron Scattering Facility, in order to open up the new science fields. The Neutron Scattering Facility will be utilized for advanced fields of Material and Life science using high intensity neutron generated by the spallation reaction of a 1 MW pulsed proton beam and mercury target. Design of the spallation mercury target system aims to obtain high neutron performance with high reliability and safety. Since the target system is using mercury as the target material and contains large amount of radioactive spallation products, it is necessary to estimate reliability for strength of instruments in a mercury flow system during lifetime of the facility. Piping and components in the mercury flow system would be damaged by erosion with mercury flow, since these components will be we...

Combustion kinetics and reaction pathways

Energy Technology Data Exchange (ETDEWEB)

Klemm, R.B.; Sutherland, J.W. [Brookhaven National Laboratory, Upton, NY (United States)

1993-12-01

This project is focused on the fundamental chemistry of combustion. The overall objectives are to determine rate constants for elementary reactions and to elucidate the pathways of multichannel reactions. A multitechnique approach that features three independent experiments provides unique capabilities in performing reliable kinetic measurements over an exceptionally wide range in temperature, 300 to 2500 K. Recent kinetic work has focused on experimental studies and theoretical calculations of the methane dissociation system (CH{sub 4} + Ar {yields} CH{sub 3} + H + Ar and H + CH{sub 4} {yields} CH{sub 3} + H{sub 2}). Additionally, a discharge flow-photoionization mass spectrometer (DF-PIMS) experiment is used to determine branching fractions for multichannel reactions and to measure ionization thresholds of free radicals. Thus, these photoionization experiments generate data that are relevant to both reaction pathways studies (reaction dynamics) and fundamental thermochemical research. Two distinct advantages of performing PIMS with high intensity, tunable vacuum ultraviolet light at the National Synchrotron Light Source are high detection sensitivity and exceptional selectivity in monitoring radical species.

From Traffic Flow to Economic System

Science.gov (United States)

Bando, M.

The optimal velocity model which is applied to traffic flow phenomena explains a spontaneous formation of traffic congestion. We discuss why the model works well in describing both free-flow and congested flow states in a unified way. The essential ingredient is that our model takes account of a sort of time delay in reacting to a given stimulus. This causes instability of many-body system, and yields a kind of phase transition above a certain critical density. Especially there appears a limit cycle on the phase space along which individual vehicle moves, and they show cyclic behavior. Once that we recognize the mechanism the same idea can be applied to a variety of phenomena which show cyclic behavior observed in many-body systems. As an example of such applications, we investigate business cycles commonly observed in economic system. We further discuss a possible origin of a kind of cyclic behavior observed in climate change.

Reaction-diffusion systems in intracellular molecular transport and control.

Science.gov (United States)

Soh, Siowling; Byrska, Marta; Kandere-Grzybowska, Kristiana; Grzybowski, Bartosz A

2010-06-07

Chemical reactions make cells work only if the participating chemicals are delivered to desired locations in a timely and precise fashion. Most research to date has focused on active-transport mechanisms, although passive diffusion is often equally rapid and energetically less costly. Capitalizing on these advantages, cells have developed sophisticated reaction-diffusion (RD) systems that control a wide range of cellular functions-from chemotaxis and cell division, through signaling cascades and oscillations, to cell motility. These apparently diverse systems share many common features and are "wired" according to "generic" motifs such as nonlinear kinetics, autocatalysis, and feedback loops. Understanding the operation of these complex (bio)chemical systems requires the analysis of pertinent transport-kinetic equations or, at least on a qualitative level, of the characteristic times of the constituent subprocesses. Therefore, in reviewing the manifestations of cellular RD, we also describe basic theory of reaction-diffusion phenomena.

Zinc deposition and dissolution in methanesulfonic acid onto a carbon composite electrode as the negative electrode reactions in a hybrid redox flow battery

International Nuclear Information System (INIS)

Leung, P.K.; Ponce-de-Leon, C.; Low, C.T.J.; Walsh, F.C.

2011-01-01

Highlights: → Use methanesulfonic acid to avoid dendrite formation during a long (>4 h) zinc electrodeposition. → Electrochemical characterization of Zn(II) deposition and its morphology using methanesulfonic acid solutions. → Use of additives to improve the efficiency of zinc deposition and dissolution as the half cell reaction of a redox flow battery. - Abstract: Electrodeposition and dissolution of zinc in methanesulfonic acid were studied as the negative electrode reactions in a hybrid redox flow battery. Cyclic voltammetry at a rotating disk electrode was used to characterize the electrochemistry and the effect of process conditions on the deposition and dissolution rate of zinc in aqueous methanesulfonic acid. At a sufficiently high current density, the deposition process became a mass transport controlled reaction. The diffusion coefficient of Zn 2+ ions was 7.5 x 10 -6 cm 2 s -1 . The performance of the zinc negative electrode in a parallel plate flow cell was also studied as a function of Zn 2+ ion concentration, methanesulfonic acid concentration, current density, electrolyte flow rate, operating temperature and the addition of electrolytic additives, including potassium sodium tartarate, tetrabutylammonium hydroxide, and indium oxide. The current-, voltage- and energy efficiencies of the zinc-half cell reaction and the morphologies of the zinc deposits are also discussed. The energy efficiency improved from 62% in the absence of additives to 73% upon the addition of 2 x 10 -3 mol dm -3 of indium oxide as a hydrogen suppressant. In aqueous methanesulfonic acid with or without additives, there was no significant dendrite formation after zinc electrodeposition for 4 h at 50 mA cm -2 .

Flow Type Bio-Chemical Calorimeter with Micro Differential Thermopile Sensor.

Science.gov (United States)

Saito, Masataka; Nakabeppu, Osamu

2015-04-01

Bio-chemical calorimeters with a MEMS (Micro-Electro-Mechanical Systems) thermopile sensor have been studied for monitoring detailed processes of the biochemical reactions of a minute sample with a high temporal resolution. The bio-calorimeters are generally divided into a batch-type and a flow-type. We developed a highly sensitive batch-type calorimeter which can detect a 100 nW level thermal reaction. However it shows a long settling time of 2 hours because of the heat capacity of a whole calorimeter. Thus, the flow-type calorimeters in passive and active mode have been studied for measuring the thermal reactions in an early stage after starting an analysis. The flow-type calorimeter consists of the MEMS differential thermopile sensor, a pair of micro channel reactor in a PDMS (polydimethylsiloxane) sheet in a three-fold thermostat chamber. The calorimeter in the passive mode was tested with dilution reactions of ethanol to water and NaCl aqueous solution to water. It was shown that the calorimeter detects exo- and endothermic reaction over 250 nW at solution flow rate of 0.05 ~ 1 µl/min with a settling time of about 4 minutes. In the active mode, a response test was conducted by using heat removal by water flow from the reactor channel. The active calorimetry enhances the response time about three to four times faster.

Performance assessment of mass flow rate measurement capability in a large scale transient two-phase flow test system

International Nuclear Information System (INIS)

Nalezny, C.L.; Chapman, R.L.; Martinell, J.S.; Riordon, R.P.; Solbrig, C.W.

1979-01-01

Mass flow is an important measured variable in the Loss-of-Fluid Test (LOFT) Program. Large uncertainties in mass flow measurements in the LOFT piping during LOFT coolant experiments requires instrument testing in a transient two-phase flow loop that simulates the geometry of the LOFT piping. To satisfy this need, a transient two-phase flow loop has been designed and built. The load cell weighing system, which provides reference mass flow measurements, has been analyzed to assess its capability to provide the measurements. The analysis consisted of first performing a thermal-hydraulic analysis using RELAP4 to compute mass inventory and pressure fluctuations in the system and mass flow rate at the instrument location. RELAP4 output was used as input to a structural analysis code SAPIV which is used to determine load cell response. The computed load cell response was then smoothed and differentiated to compute mass flow rate from the system. Comparison between computed mass flow rate at the instrument location and mass flow rate from the system computed from the load cell output was used to evaluate mass flow measurement capability of the load cell weighing system. Results of the analysis indicate that the load cell weighing system will provide reference mass flows more accurately than the instruments now in LOFT

The Phase Behavior Effect on the Reaction Engineering of Transesterification Reactions and Reactor Design for Continuous Biodiesel Production

Science.gov (United States)

Csernica, Stephen N.

transitions from two phases to a single phase, or pseudo-single phase. The transition to a single phase or pseudo-single phase is a function of the methanol content. Regardless, the maximum observed reaction rate occurs at the point of the phase transition, when the concentration of triglycerides in the methanol phase is largest. The phase transition occurs due to the accumulation of the primary product, biodiesel methyl esters. Through various experiments, it was determined that the rate of the triglyceride mass transfer into the methanol phase, as well as the solubility of triglycerides in methanol, increases with increasing methyl ester concentration. Thus, there exists some critical methyl ester concentration which favors the formation of a single or pseudo-single phase system. The effect of the by-product glycerol on the reaction kinetics was also investigated. It was determined that at low methanol to triglyceride molar ratios, glycerol acts to inhibit the reaction rate and limit the overall triglyceride conversion. This occurs because glycerol accumulates in the methanol phase, i.e. the primary reaction volume. When glycerol is at relatively high concentrations within the methanol phase, triglycerides become excluded from the reaction volume. This greatly reduces the reaction rate and limits the overall conversion. As the concentration of methanol is increased, glycerol becomes diluted and the inhibitory effects become dampened. Assuming pseudo-homogeneous phase behavior, a simple kinetic model incorporating the inhibitory effects of glycerol was proposed based on batch reactor data. The kinetic model was primarily used to theoretically compare the performance of different types of continuous flow reactors for continuous biodiesel production. It was determined that the inhibitory effects of glycerol result in the requirement of very large reactor volumes when using continuous stirred tank reactors (CSTR). The reactor volume can be greatly reduced using tubular style

Multidimensional analysis of collective sidewards flow in Au on Au reactions between 100 and 1050 A MeV

International Nuclear Information System (INIS)

Wienold, T.; Fan, Z.G.; Hartnack, C.

1994-11-01

An excitation function of the Au on Au reaction from 100 to 1050 A MeV was measured using the FOPI-facility at GSI Darmstadt. Nuclear charge (Z≤15) and velocity of the product were detected with full azimuthal acceptance at laboratory angles 1 ≤Θ lab ≤30 . For the first time an analysis is presented which combines the azimuthally asymmetric part of the transverse flow (sidewards flow), stopping and the associated collision geometry. In comparison to microscopic transport model calculations we demonstrate the relevance of this method for the extraction of the nuclear equation of state. (orig.)

Development and testing of a compartmentalized reaction network model for redox zones in contaminated aquifers

Science.gov (United States)

Abrams , Robert H.; Loague, Keith; Kent, Douglas B.

1998-01-01

The work reported here is the first part of a larger effort focused on efficient numerical simulation of redox zone development in contaminated aquifers. The sequential use of various electron acceptors, which is governed by the energy yield of each reaction, gives rise to redox zones. The large difference in energy yields between the various redox reactions leads to systems of equations that are extremely ill-conditioned. These equations are very difficult to solve, especially in the context of coupled fluid flow, solute transport, and geochemical simulations. We have developed a general, rational method to solve such systems where we focus on the dominant reactions, compartmentalizing them in a manner that is analogous to the redox zones that are often observed in the field. The compartmentalized approach allows us to easily solve a complex geochemical system as a function of time and energy yield, laying the foundation for our ongoing work in which we couple the reaction network, for the development of redox zones, to a model of subsurface fluid flow and solute transport. Our method (1) solves the numerical system without evoking a redox parameter, (2) improves the numerical stability of redox systems by choosing which compartment and thus which reaction network to use based upon the concentration ratios of key constituents, (3) simulates the development of redox zones as a function of time without the use of inhibition factors or switching functions, and (4) can reduce the number of transport equations that need to be solved in space and time. We show through the use of various model performance evaluation statistics that the appropriate compartment choice under different geochemical conditions leads to numerical solutions without significant error. The compartmentalized approach described here facilitates the next phase of this effort where we couple the redox zone reaction network to models of fluid flow and solute transport.

On load flow control in electric power systems

Energy Technology Data Exchange (ETDEWEB)

Herbig, Arnim

2000-01-01

This dissertation deals with the control of active power flow, or load flow in electric power systems. During the last few years, interest in the possibilities to control the active power flows in transmission systems has increased significantly. There is a number of reasons for this, coming both from the application side - that is, from power system operations - and from the technological side. where advances in power electronics and related technologies have made new system components available. Load flow control is by nature a multi-input multi-output problem, since any change of load flow in one line will be complemented by changes in other lines. Strong cross-coupling between controllable components is to be expected, and the possibility of adverse interactions between these components cannot be rejected straightaway. Interactions with dynamic phenomena in the power system are also a source of concern. Three controllable components are investigated in this thesis, namely the controlled series capacitor (CSC), the phase angle regulator (PAR), and the unified power flow controller (UPFC). Properties and characteristics of these devices axe investigated and discussed. A simple control strategy is proposed. This strategy is then analyzed extensively. Mathematical methods and physical knowledge about the pertinent phenomena are combined, and it is shown that this control strategy can be used for a fairly general class of devices. Computer simulations of the controlled system provide insight into the system behavior in a system of reasonable size. The robustness and stability of the control system are discussed as are its limits. Further, the behavior of the control strategy in a system where the modeling allows for dynamic phenomena are investigated with computer simulations. It is discussed under which circumstances the control action has beneficial or detrimental effect on the system dynamics. Finally, a graphical approach for analyzing the effect of controllers

Pulse-Flow Microencapsulation System

Science.gov (United States)

Morrison, Dennis R.

2006-01-01

The pulse-flow microencapsulation system (PFMS) is an automated system that continuously produces a stream of liquid-filled microcapsules for delivery of therapeutic agents to target tissues. Prior microencapsulation systems have relied on batch processes that involve transfer of batches between different apparatuses for different stages of production followed by sampling for acquisition of quality-control data, including measurements of size. In contrast, the PFMS is a single, microprocessor-controlled system that performs all processing steps, including acquisition of quality-control data. The quality-control data can be used as real-time feedback to ensure the production of large quantities of uniform microcapsules.

Multi-physics Model for the Aging Prediction of a Vanadium Redox Flow Battery System

International Nuclear Information System (INIS)

Merei, Ghada; Adler, Sophie; Magnor, Dirk; Sauer, Dirk Uwe

2015-01-01

Highlights: • Present a multi-physics model of vanadium redox-flow battery. • This model is essential for aging prediction. • It is applicable for VRB system of different power and capacity ratings. • Good results comparing with current research in this field. - Abstract: The all-vanadium redox-flow battery is an attractive candidate to compensate the fluctuations of non-dispatchable renewable energy generation. While several models for vanadium redox batteries have been described yet, no model has been published, which is adequate for the aging prediction. Therefore, the present paper presents a multi-physics model which determines all parameters that are essential for an aging prediction. In a following paper, the corresponding aging model of vanadium redox flow battery (VRB) is described. The model combines existing models for the mechanical losses and temperature development with new approaches for the batteries side reactions. The model was implemented in Matlab/Simulink. The modeling results presented in the paper prove to be consistent with the experimental results of other research groups

Radionuclides in groundwater flow system understanding

Science.gov (United States)

Erőss, Anita; Csondor, Katalin; Horváth, Ákos; Mádl-Szőnyi, Judit; Surbeck, Heinz

2017-04-01

Using radionuclides is a novel approach to characterize fluids of groundwater flow systems and understand their mixing. Particularly, in regional discharge areas, where different order flow systems convey waters with different temperature, composition and redox-state to the discharge zone. Radium and uranium are redox-sensitive parameters, which causes fractionation along groundwater flow paths. Discharging waters of regional flow systems are characterized by elevated total dissolved solid content (TDS), temperature and by reducing conditions, and therefore with negligible uranium content, whereas local flow systems have lower TDS and temperature and represent oxidizing environments, and therefore their radium content is low. Due to the short transit time, radon may appear in local systems' discharge, where its source is the soil zone. However, our studies revealed the importance of FeOOH precipitates as local radon sources throughout the adsorption of radium transported by the thermal waters of regional flow systems. These precipitates can form either by direct oxidizing of thermal waters at discharge, or by mixing of waters with different redox state. Therefore elevated radon content often occurs in regional discharge areas as well. This study compares the results of geochemical studies in three thermal karst areas in Hungary, focusing on radionuclides as natural tracers. In the Buda Thermal Karst, the waters of the distinct discharge areas are characterized by different temperature and chemical composition. In the central discharge area both lukewarm (20-35°C, 770-980 mg/l TDS) and thermal waters (40-65°C, 800-1350 mg/l TDS), in the South only thermal water discharge (33-43°C, 1450-1700 mg/l TDS) occur. Radionuclides helped to identify mixing of fluids and to infer the temperature and chemical composition of the end members for the central discharge area. For the southern discharge zone mixing components could not be identified, which suggests different cave

Plasma flow in toroidal systems with a separatrix

International Nuclear Information System (INIS)

Gribkov, V.M.; Morozov, D.Kh.; Pogutse, O.P.

1984-01-01

A hydrodynamic plasma flow in toroidal systems is considered. Rlasma flow lines for various magnetic configurations are calculated. A particular attention is given to studying plasma flow in configurations with two magnetic a axes and a separatrix. The flow picture i the toroidal case is shown to qualita ity to penetrate through the separatrix - the latter becomes ''perforated''. Th he pictkre of these flows is calculated. The plasma diffusion coefficient with account for the separatrix is calculated and is shown not to turn into the infin nity in the toroidal case as well. The plasma flow is analytically considered in the model with distributed current as well as in the model with current conce entrated at the oroidal system axis. In the first case the existence of ''stagnant'' regions near the magnetic axis is established from which the plasma a does not flow out

Reaction of ketene ions with ammonia

International Nuclear Information System (INIS)

Iraqi, M.; Lifshitz, C.; Reuben, B.G.

1991-01-01

Reactions of ketene ions with NH 3 , ND 3 , H 2 O, and CH 4 were investigated in a selected ion flow tube (SIFT). There were no observable products for H 2 O and CH 4 and no ion/neutral complex stabilization in any of the systems investigated. The ammonia system demonstrated two reaction channels, in agreement with previous FTICR data (1) distonic ion CH 2 NH 3 sm-bullet + formation, with a branching ratio of 0.2 and (2) proton transfer, with a branching ratio of 0.8. The overall second-order rate constant for NH 3 is (2.2 ± 0.15) x 10 -9 cm 3 molecule -1 s -1 , in agreement with the gas kinetic ion-dipole collision rate. Isotope scrambling was studied for primary (CH 2 CO + ) and for secondary (CH 2 NX 3 sm-bullet + and NX 4 + , X = H or D) proton-transfer reactions with ND 3 ; CH 2 NH 3 sm-bullet + appears to transfer an X + ion to ND 3 without any scrambling. CH 2 CO sm-bullet + undergoes reactions with partial scrambling and NX 4 + seems to react with almost complete scrambling. The results are compared with these of Adams, Smith, and Henchman on the NH 4 + /ND 3 system

Design of a fusion reaction-history measurement system with high temporal resolution

International Nuclear Information System (INIS)

Peng Xiaoshi; Wang Feng; Liu Shenye; Jiang Xiaohua; Tang Qi

2010-01-01

In order to accurately measure the history of fusion reaction for experimental study of inertial confinement fusion, we advance the design of a fusion reaction-history measurement system with high temporal resolution. The diagnostic system is composed of plastic scintillator and nose cone, an optical imaging system and the system of optic streak camera. Analyzing the capability of the system indicated that the instrument measured fusion reaction history at temporal resolution as low as 55ps and 40ps correspond to 2.45MeV DD neutrons and 14.03MeV DT neutrons. The instrument is able to measure the fusion reaction history at yields 1.5 x 10 9 DD neutrons, about 4 x 10 8 DT neutrons are required for a similar quality signal. (authors)

Temperature dependence on sodium-water chemical reaction

International Nuclear Information System (INIS)

Tamura, Kenta; Deguchi, Yoshihiro; Suzuki, Koichi; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

2012-01-01

In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using laser diagnostics. A quasi one-dimensional flame model is also applied to a sodium-water counter-flow reaction field. Temperature, H 2 , H 2 O, OH, Na and Particulate matter were measured using laser induced fluorescence and CARS in the counter-flow reaction field. The temperature of the reaction field was also modified to reduce the condensation of Na in the reaction zone. (author)

A Coupled Model for Solution Flow and Bioleaching Reaction Based on the Evolution of Heap Pore Structure

Directory of Open Access Journals (Sweden)

Shenghua Yin

2014-01-01

Full Text Available Based on the basic seepage law, equations have been derived to descript the solution flow within the copper ore heap which is treated as anisotropy porous media. The relationship between heap permeability and pore ratio has been revealed. Given the consideration of cover pressure and particle dissolution, pore evolution model has been set up. The pore evolution mechanism, due to the process of dissolution, precipitation, blockage, collapse, and caking, has been investigated. The comprehensive model for pore evolution and solution flow under the effect of solute transport and leaching reaction has been established. A trapezoidal heap was calculated, and the estimated results show that permeability decreases with the decreasing of pore ratio. Therefore, the permeability of the heap with small particles is relatively low because of its low pore ratio. Furthermore, permeability and height are found to be the two main factors influencing the solution flow.

Estimation and prediction of convection-diffusion-reaction systems from point measurement

NARCIS (Netherlands)

Vries, D.

2008-01-01

Different procedures with respect to estimation and prediction of systems characterized by convection, diffusion and reactions on the basis of point measurement data, have been studied. Two applications of these convection-diffusion-reaction (CDR) systems have been used as a case study of the

Chemical Reaction and Flow Modeling in Fullerene and Nanotube Production

Science.gov (United States)

Scott, Carl D.; Farhat, Samir; Greendyke, Robert B.

2004-01-01

The development of processes to produce fullerenes and carbon nanotubes has largely been empirical. Fullerenes were first discovered in the soot produced by laser ablation of graphite [1]and then in the soot of electric arc evaporated carbon. Techniques and conditions for producing larger and larger quantities of fullerenes depended mainly on trial and error empirical variations of these processes, with attempts to scale them up by using larger electrodes and targets and higher power. Various concepts of how fullerenes and carbon nanotubes were formed were put forth, but very little was done based on chemical kinetics of the reactions. This was mainly due to the complex mixture of species and complex nature of conditions in the reactors. Temperatures in the reactors varied from several thousand degrees Kelvin down to near room temperature. There are hundreds of species possible, ranging from atomic carbon to large clusters of carbonaceous soot, and metallic catalyst atoms to metal clusters, to complexes of metals and carbon. Most of the chemical kinetics of the reactions and the thermodynamic properties of clusters and complexes have only been approximated. In addition, flow conditions in the reactors are transient or unsteady, and three dimensional, with steep spatial gradients of temperature and species concentrations. All these factors make computational simulations of reactors very complex and challenging. This article addresses the development of the chemical reaction involved in fullerene production and extends this to production of carbon nanotubes by the laser ablation/oven process and by the electric arc evaporation process. In addition, the high-pressure carbon monoxide (HiPco) process is discussed. The article is in several parts. The first one addresses the thermochemical aspects of modeling; and considers the development of chemical rate equations, estimates of reaction rates, and thermodynamic properties where they are available. The second part

The effects of reactants ratios, reaction temperatures and times on Maillard reaction products of the L-ascorbic acid/L-glutamic acid system

Directory of Open Access Journals (Sweden)

Yong-Yan ZHOU

2016-01-01

Full Text Available Abstract The transformation law of the Maillard reaction products with three different reactants ratios - equimolar reactants, excess L-glutamic acid and excess L-ascorbic acid reaction respectively, five different temperatures, and different time conditions for the L-ascorbic acid / L-glutamic acid system were investigated. Results showed that, the increase of the reaction time and temperature led to the increase of the browning products, uncoloured intermediate products, as well as aroma compounds. Compared with the equimolar reaction system, the excess L-ascorbic acid reaction system produced more browning products and uncoloured intermediate products, while the aroma compounds production remained the same. In the excess L-glutamic acid system, the uncoloured intermediate products increased slightly, the browning products remained the same, while the aroma compounds increased.

THE LIQUID NITROGEN SYSTEM FOR CHAMBER A; A CHANGE FROM ORIGINAL FORCED FLOW DESIGN TO A NATURAL FLOW (THERMO SIPHON) SYSTEM

International Nuclear Information System (INIS)

Homan, J.; Montz, M.; Ganni, V.; Sidi-Yekhlef, A.; Knudsen, P.; Creel, J.; Arenius, D.; Garcia, S.

2010-01-01

NASA at the Johnson Space Center (JSC) in Houston is presently working toward modifying the original forced flow liquid nitrogen cooling system for the thermal shield in the space simulation chamber-A in Building 32 to work as a natural flow (thermo siphon) system. Chamber A is 19.8 m (65 ft) in diameter and 35.66 m (117 ft) high. The LN 2 shroud environment within the chamber is approximately 17.4 m (57 ft) in diameter and 28 m (92 ft) high. The new thermo siphon system will improve the reliability, stability of the system. Also it will reduce the operating temperature and the liquid nitrogen use to operate the system. This paper will present the requirements for the various operating modes. System level thermodynamic comparisons of the existing system to the various options studied and the final option selected will be outlined. A thermal and hydraulic analysis to validate the selected option for the conversion of the current forced flow to natural flow design will be discussed. The proposed modifications to existing system to convert to natural circulation (thermo siphon) system and the design features to help improve the operations, and maintenance of the system will be presented.

Optimization of the reaction parameters of heavy naphtha reforming process using Pt-Re/Al2O3 catalyst system

Directory of Open Access Journals (Sweden)

Hussien A. Elsayed

2017-12-01

Full Text Available One of the most significant procedures in oil refineries is naphtha catalytic reforming unit in which high octane gasoline is gained. Normally, in oil refineries, flow instability in the composition of feedstock can affect the product quality. The aim of the present work was focused on modifications of the final product flow rate and product’s octane number with respect to the modifications of the feedstock composition. The main three reforming reactions investigated, namely; dehydrogenation, dehydrocyclization, and hydrocracking were conducted employing silica supported bimetallic (Pt-Re patented catalyst. Optimization of the catalytic process reaction conditions, i.e.; temperature, hydrogen pressure and liquid hourly space velocity (LHSV was carried out with regard to conversion and selectivity. The optimization results indicated that heavy naphtha component conversion (paraffin’s and naphthenes increases with an increasing in reaction temperature and pressure while decreases with an increase in LHSV. The kinetic study of catalytic reforming reactions reported helped establishing the reaction model explicitly.

Radial flow in 40Ar+45Sc reactions at E=35 endash 115 MeV/nucleon

International Nuclear Information System (INIS)

Pak, R.; Craig, D.; Gualtieri, E.; Hannuschke, S.A.; Lacey, R.A.; Lauret, J.; Llope, W.J.; Stone, N.T.; Vander Molen, A.M.; Westfall, G.; Yee, J.

1996-01-01

Collective radial flow of light fragments from 40 Ar+ 45 Sc reactions at beam energies between 35 and 115 MeV/nucleon has been investigated using the Michigan State University 4π Array. The mean transverse kinetic energy left-angle E t right-angle of the different fragment types increases with event centrality and increases as a function of the incident beam energy. Comparison of our measured values of left-angle E t right-angle shows agreement with predictions of Boltzmann-Uehling-Uhlenbeck model and WIX multifragmentation model calculations. The radial flow extracted from left-angle E t right-angle accounts for approximately half of the emitted particle close-quote s energy for the heavier fragments (Z≥4) at the highest beam energy studied. copyright 1996 The American Physical Society

Lymphatic System Flows

Science.gov (United States)

Moore, James E., Jr.; Bertram, Christopher D.

2018-01-01

The supply of oxygen and nutrients to tissues is performed by the blood system and involves a net leakage of fluid outward at the capillary level. One of the principal functions of the lymphatic system is to gather this fluid and return it to the blood system to maintain overall fluid balance. Fluid in the interstitial spaces is often at subatmospheric pressure, and the return points into the venous system are at pressures of approximately 20 cmH2O. This adverse pressure difference is overcome by the active pumping of collecting lymphatic vessels, which feature closely spaced one-way valves and contractile muscle cells in their walls. Passive vessel squeezing causes further pumping. The dynamics of lymphatic pumping have been investigated experimentally and mathematically, revealing complex behaviors that indicate that the system performance is robust against minor perturbations in pressure and flow. More serious disruptions can lead to incurable swelling of tissues called lymphedema.

Study of dynamics of glucose-glucose oxidase-ferricyanide reaction

Science.gov (United States)

Nováková, A.; Schreiberová, L.; Schreiber, I.

2011-12-01

This work is focused on dynamics of the glucose-glucose oxidase-ferricyanide enzymatic reaction with or without sodium hydroxide in a continuous-flow stirred tank reactor (CSTR) and in a batch reactor. This reaction exhibits pH-variations having autocatalytic character and is reported to provide nonlinear dynamic behavior (bistability, excitability). The dynamical behavior of the reaction was examined within a wide range of inlet parameters. The main inlet parameters were the ratio of concentrations of sodium hydroxide and ferricyanide and the flow rate. In a batch reactor we observed an autocatalytic drop of pH from slightly basic to medium acidic values. In a CSTR our aim was to find bistability in the presence of sodium hydroxide. However, only a basic steady state was found. In order to reach an acidic steady state, we investigated the system in the absence of sodium hydroxide. Under these conditions the transition from the basic to the acidic steady state was observed when inlet glucose concentration was increased.

Flow of an Erying-Powell fluid over a stretching sheet in presence of chemical reaction

Directory of Open Access Journals (Sweden)

Khan Ilyas

2016-01-01

Full Text Available In this paper we study the flow of an incompressible Erying-Powell fluid bounded by a linear stretching surface. The mass transfer analysis in the presence of destructive /generative chemical reactions is also analyzed. A similarity transformation is used to transform the governing partial differential equations into ordinary differential equations. Computations for dimensionless velocity and concentration fields are performed by an efficient approach namely the homotopy analysis method (HAM and numerical solution is obtained by shooting technique along with Runge-Kutta-Fehlberg integration scheme. Graphical results are prepared to illustrate the details of flow and mass transfer characteristics and their dependence upon the physical parameters. The values for gradient of mass transfer are also evaluated and analyzed. A comparison of the present solutions with published results in the literature is performed and the results are found to be in excellent agreement.

Stochastic modeling and simulation of reaction-diffusion system with Hill function dynamics.

Science.gov (United States)

Chen, Minghan; Li, Fei; Wang, Shuo; Cao, Young

2017-03-14

Stochastic simulation of reaction-diffusion systems presents great challenges for spatiotemporal biological modeling and simulation. One widely used framework for stochastic simulation of reaction-diffusion systems is reaction diffusion master equation (RDME). Previous studies have discovered that for the RDME, when discretization size approaches zero, reaction time for bimolecular reactions in high dimensional domains tends to infinity. In this paper, we demonstrate that in the 1D domain, highly nonlinear reaction dynamics given by Hill function may also have dramatic change when discretization size is smaller than a critical value. Moreover, we discuss methods to avoid this problem: smoothing over space, fixed length smoothing over space and a hybrid method. Our analysis reveals that the switch-like Hill dynamics reduces to a linear function of discretization size when the discretization size is small enough. The three proposed methods could correctly (under certain precision) simulate Hill function dynamics in the microscopic RDME system.

Capability of LEP-type surfaces to describe noncollinear reactions 2 - Polyatomic systems

CERN Document Server

Espinosa-Garcia, Joaquin

2001-01-01

In this second article of the series, the popular LEP-type surface for collinear reaction paths and a "bent" surface, which involves a saddle point geometry with a nonlinear central angle, were used to examine the capacity of LEP-type surfaces to describe the kinetics and dynamics of noncollinear reaction paths in polyatomic systems. Analyzing the geometries, vibrational frequencies, curvature along the reaction path (to estimate the tunneling effect and the reaction coordinate-bound modes coupling), and the variational transition- state theory thermal rate constants for the NH//3 + O(**3P) reaction, we found that the "collinear" LEP-type and the "bent" surfaces for this polyatomic system show similar behavior, thus allowing a considerable saving in time and computational effort. This agreement is especially encouraging for this polyatomic system because in the Cs symmetry the reaction proceeds via two electronic states of symmetries **3A prime and **3A double prime , which had to be independently calibrated....

Saponification reaction system: a detailed mass transfer coefficient determination.

Science.gov (United States)

Pečar, Darja; Goršek, Andreja

2015-01-01

The saponification of an aromatic ester with an aqueous sodium hydroxide was studied within a heterogeneous reaction medium in order to determine the overall kinetics of the selected system. The extended thermo-kinetic model was developed compared to the previously used simple one. The reaction rate within a heterogeneous liquid-liquid system incorporates a chemical kinetics term as well as mass transfer between both phases. Chemical rate constant was obtained from experiments within a homogeneous medium, whilst the mass-transfer coefficient was determined separately. The measured thermal profiles were then the bases for determining the overall reaction-rate. This study presents the development of an extended kinetic model for considering mass transfer regarding the saponification of ethyl benzoate with sodium hydroxide within a heterogeneous reaction medium. The time-dependences are presented for the mass transfer coefficient and the interfacial areas at different heterogeneous stages and temperatures. The results indicated an important role of reliable kinetic model, as significant difference in k(L)a product was obtained with extended and simple approach.

Stress reaction process-based hierarchical recognition algorithm for continuous intrusion events in optical fiber prewarning system

Science.gov (United States)

Qu, Hongquan; Yuan, Shijiao; Wang, Yanping; Yang, Dan

2018-04-01

To improve the recognition performance of optical fiber prewarning system (OFPS), this study proposed a hierarchical recognition algorithm (HRA). Compared with traditional methods, which employ only a complex algorithm that includes multiple extracted features and complex classifiers to increase the recognition rate with a considerable decrease in recognition speed, HRA takes advantage of the continuity of intrusion events, thereby creating a staged recognition flow inspired by stress reaction. HRA is expected to achieve high-level recognition accuracy with less time consumption. First, this work analyzed the continuity of intrusion events and then presented the algorithm based on the mechanism of stress reaction. Finally, it verified the time consumption through theoretical analysis and experiments, and the recognition accuracy was obtained through experiments. Experiment results show that the processing speed of HRA is 3.3 times faster than that of a traditional complicated algorithm and has a similar recognition rate of 98%. The study is of great significance to fast intrusion event recognition in OFPS.

The Simplest Chronoscope V: A Theory of Dual Primary and Secondary Reaction Time Systems.

Science.gov (United States)

Montare, Alberto

2016-12-01

Extending work by Montare, visual simple reaction time, choice reaction time, discriminative reaction time, and overall reaction time scores obtained from college students by the simplest chronoscope (a falling meterstick) method were significantly faster as well as significantly less variable than scores of the same individuals from electromechanical reaction timers (machine method). Results supported the existence of dual reaction time systems: an ancient primary reaction time system theoretically activating the V5 parietal area of the dorsal visual stream that evolved to process significantly faster sensory-motor reactions to sudden stimulations arising from environmental objects in motion, and a secondary reaction time system theoretically activating the V4 temporal area of the ventral visual stream that subsequently evolved to process significantly slower sensory-perceptual-motor reactions to sudden stimulations arising from motionless colored objects. © The Author(s) 2016.

Point source identification in nonlinear advection–diffusion–reaction systems

International Nuclear Information System (INIS)

Mamonov, A V; Tsai, Y-H R

2013-01-01

We consider a problem of identification of point sources in time-dependent advection–diffusion systems with a nonlinear reaction term. The linear counterpart of the problem in question can be reduced to solving a system of nonlinear algebraic equations via the use of adjoint equations. We extend this approach by constructing an algorithm that solves the problem iteratively to account for the nonlinearity of the reaction term. We study the question of improving the quality of source identification by adding more measurements adaptively using the solution obtained previously with a smaller number of measurements. (paper)

Investigation of the stability of melt flow in gating systems

DEFF Research Database (Denmark)

Tiedje, Niels Skat; Larsen, Per

2011-01-01

Melt flow in four different gating systems designed for production of brake discs was analysed experimentally and by numerical modelling. In the experiments moulds were fitted with glass fronts and melt flow was recorded on video. The video recordings were compared with modelling of melt flow...... in the gating systems. Particular emphasis was on analysing local pressure and formation of pressure waves in the gating system. It was possible to compare melt flow patterns in experiments directly to modelled flow patterns. Generally there was good agreement between flow patterns and filling times. However...... description of free liquid surfaces proved to be incorrect in the numerical model. Modelled pressure fields served to explain how specific parts of the gating systems cause instability and are a good tool to describe the quality of a gating system. The results shows clearly that sharp changes in the geometry...

The Hitchhiker's Guide to Flow Chemistry ∥.

Science.gov (United States)

Plutschack, Matthew B; Pieber, Bartholomäus; Gilmore, Kerry; Seeberger, Peter H

2017-09-27

Flow chemistry involves the use of channels or tubing to conduct a reaction in a continuous stream rather than in a flask. Flow equipment provides chemists with unique control over reaction parameters enhancing reactivity or in some cases enabling new reactions. This relatively young technology has received a remarkable amount of attention in the past decade with many reports on what can be done in flow. Until recently, however, the question, "Should we do this in flow?" has merely been an afterthought. This review introduces readers to the basic principles and fundamentals of flow chemistry and critically discusses recent flow chemistry accounts.

Inversion of collective matter flow and equation of state

International Nuclear Information System (INIS)

Peter, J.

1992-03-01

The multidetector array Mur + Tonneau has been used to perform a 4π detection of charged particles and fragments emitted in reactions at energies ranging from 25 to 95 MeV/u. The collective transverse momentum in the reaction plane (sidewards flow parameter) is observed to strongly vary as a function of impact parameter and incident energy. The measured values have to be corrected for the effects due to the error on the reaction plane determination and to the detector limitations. Those limitations caused by the method itself are more important than those caused by the detector. The flow value changes from negative values (negative scattering at low energies). The inversion (or balance) energy is in the range 50-100 MeV/u, depending on the system and impact parameter value. Comparisons between experimental data and theoretical values are shown for the system 40 Ar + 27 Al. These studies (BUU, Landau-Vlasov, QMD) show that the flow, and especially the inversion energy, is sensitive to the nucleon-nucleon cross section σNN in medium. The data indicate that a momentum dependent effective interaction should be used. Then, the flow value is not much sensitive to the incompressibility modulus K, but possibly in peripheral collisions. Additional observables should be used. The azimuthal distribution of mid-rapidity particles indicates a rotation-like behaviour of the interaction region

Analysis of flow distribution instability in parallel thin rectangular multi-channel system

Energy Technology Data Exchange (ETDEWEB)

Xia, G.L. [School of Nuclear Science and Technology, Xi’an Jiaotong University, Xi’an City 710049 (China); Fundamental Science on Nuclear Safety and Simulation Technology Laboratory, Harbin Engineering University, Harbin City 150001 (China); Su, G.H., E-mail: ghsu@mail.xjtu.edu.cn [School of Nuclear Science and Technology, Xi’an Jiaotong University, Xi’an City 710049 (China); Peng, M.J. [Fundamental Science on Nuclear Safety and Simulation Technology Laboratory, Harbin Engineering University, Harbin City 150001 (China)

2016-08-15

Highlights: • Flow distribution instability in parallel thin rectangular multi-channel system is studied using RELAP5 codes. • Flow excursion may bring parallel heating channel into the density wave oscillations region. • Flow distribution instability is more likely to happen at low power/flow ratio conditions. • The increase of channel number will not affect the flow distribution instability boundary. • Asymmetry inlet throttling and heating will make system more unstable. - Abstract: The flow distribution instability in parallel thin rectangular multi-channel system has been researched in the present study. The research model of parallel channel system is established by using RELAP5/MOD3.4 codes. The transient process of flow distribution instability is studied at imposed inlet mass flow rate and imposed pressure drop conditions. The influence of heating power, mass flow rate, system pressure and channel number on flow distribution instability are analyzed. Furthermore, the flow distribution instability of parallel two-channel system under asymmetric inlet throttling and heating power is studied. The results show that, if multi-channel system operates at the negative slope region of channel ΔP–G curve, small disturbance in pressure drop will lead to flow redistribution between parallel channels. Flow excursion may bring the operating point of heating channel into the density-wave oscillations region, this will result in out-phase or in-phase flow oscillations. Flow distribution instability is more likely to happen at low power/flow ratio conditions, the stability of parallel channel system increases with system pressure, the channel number has a little effect on system stability, but the asymmetry inlet throttling or heating power will make the system more unstable.

Modified reaction mechanism of aerated n-dodecane liquid flowing over heated metal tubes

Science.gov (United States)

Reddy, K. T.; Cernansky, N. P.; Cohen, R. S.

1988-01-01

The degradation mechanism of the n-dodecane was studied using a modified jet fuel thermal oxidation tester containing a sample withdrawal system as a reaction vessel. The reaction products were identified using gas chromatography and mass spectorometry. The soluble products were found to consist mainly of C5-C10 n-alkanes and 1-alkenes, C7-C10 aldehydes, tetrahydrofuran derivatives, dodecanol and dodecanone isomers, dodecyl hydroperoxide (ROOH) decomposition products, and C24 alkane isomers. The data from the experiments agreed with those of Hazlett et al. (1977). It was found that alkyl peroxide radical reactions dominate in the autooxidation temperature regime (at T not above 300 C); the dominant path is for the alkyl peroxyl radical to react bimolecularly with fuel to yield primarily alkyl hydroperoxides. The alkyl peroxide radical also undergoes self-termination and unimolecular isomerization and decomposition reactions, to yield smaller amounts of C12 alcohol plus ketone products and tetrahydrofuran derivatives, respectively.

Pattern formation in reaction diffusion systems with finite geometry

International Nuclear Information System (INIS)

Borzi, C.; Wio, H.

1990-04-01

We analyze the one-component, one-dimensional, reaction-diffusion equation through a simple inverse method. We confine the system and fix the boundary conditions as to induce pattern formation. We analyze the stability of those patterns. Our goal is to get information about the reaction term out of the preknowledgment of the pattern. (author). 5 refs

Analysis of the flow with phase change and chemical reaction with the particle interaction method. Report under the contract between JNC and Toshiba Corporation

International Nuclear Information System (INIS)

Shirakawa, Noriyuki; Horie, Hideki; Yamamoto, Yuichi

2001-02-01

The numerical thermohydraulic analysis of a LMFR component should involve its whole boundary in order to evaluate the effect of chemical reaction within it. Therefore, it becomes difficult mainly due to computing time to adopt microscopic approach for the chemical reaction directly. Thus, the thermohydraulic code is required to model the chemically reactive fluid dynamics with constitutive correlations. The reaction rate depends on the binary contact areas between components such as continuous liquids, droplets, solid particles, and bubbles. The contact areas change sharply according to the interface state between components. Since no experiments to study the jet flow with sodium-water chemical reaction have been done, the goal of this study is to obtain the knowledge of flow regimes and contact areas by analyzing the fluid dynamics of multi-phase and reactive components mechanistically with the particle interaction method. In this fiscal year, following works were performed: 1) Development and coding of the interfacial area model, 2) Development and coding of the phase change model, 3) Verification of the fundamental functions of the models, and 4) Literature investigation of the related experiments. (author)

A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions

International Nuclear Information System (INIS)

Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C.; Brooks, Scott C; Pace, Molly; Kim, Young Jin; Jardine, Philip M.; Watson, David B.

2007-01-01

This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M. partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M. species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions

A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions.

Science.gov (United States)

Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B

2007-06-16

This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

Portable Fluorescence Imaging System for Hypersonic Flow Facilities

Science.gov (United States)

Wilkes, J. A.; Alderfer, D. W.; Jones, S. B.; Danehy, P. M.

2003-01-01

A portable fluorescence imaging system has been developed for use in NASA Langley s hypersonic wind tunnels. The system has been applied to a small-scale free jet flow. Two-dimensional images were taken of the flow out of a nozzle into a low-pressure test section using the portable planar laser-induced fluorescence system. Images were taken from the center of the jet at various test section pressures, showing the formation of a barrel shock at low pressures, transitioning to a turbulent jet at high pressures. A spanwise scan through the jet at constant pressure reveals the three-dimensional structure of the flow. Future capabilities of the system for making measurements in large-scale hypersonic wind tunnel facilities are discussed.

INVESTIGATION OF MULTISCALE AND MULTIPHASE FLOW, TRANSPORT AND REACTION IN HEAVY OIL RECOVERY PROCESSES

Energy Technology Data Exchange (ETDEWEB)

Yannis C. Yortsos

2003-02-01

This is final report for contract DE-AC26-99BC15211. The report describes progress made in the various thrust areas of the project, which include internal drives for oil recovery, vapor-liquid flows, combustion and reaction processes and the flow of fluids with yield stress. The report consists mainly of a compilation of various topical reports, technical papers and research reports published produced during the three-year project, which ended on May 6, 2002 and was no-cost extended to January 5, 2003. Advances in multiple processes and at various scales are described. In the area of internal drives, significant research accomplishments were made in the modeling of gas-phase growth driven by mass transfer, as in solution-gas drive, and by heat transfer, as in internal steam drives. In the area of vapor-liquid flows, we studied various aspects of concurrent and countercurrent flows, including stability analyses of vapor-liquid counterflow, and the development of novel methods for the pore-network modeling of the mobilization of trapped phases and liquid-vapor phase changes. In the area of combustion, we developed new methods for the modeling of these processes at the continuum and pore-network scales. These models allow us to understand a number of important aspects of in-situ combustion, including steady-state front propagation, multiple steady-states, effects of heterogeneity and modes of combustion (forward or reverse). Additional aspects of reactive transport in porous media were also studied. Finally, significant advances were made in the flow and displacement of non-Newtonian fluids with Bingham plastic rheology, which is characteristic of various heavy oil processes. Various accomplishments in generic displacements in porous media and corresponding effects of reservoir heterogeneity are also cited.

An incomplete assembly with thresholding algorithm for systems of reaction-diffusion equations in three space dimensions IAT for reaction-diffusion systems

International Nuclear Information System (INIS)

Moore, Peter K.

2003-01-01

Solving systems of reaction-diffusion equations in three space dimensions can be prohibitively expensive both in terms of storage and CPU time. Herein, I present a new incomplete assembly procedure that is designed to reduce storage requirements. Incomplete assembly is analogous to incomplete factorization in that only a fixed number of nonzero entries are stored per row and a drop tolerance is used to discard small values. The algorithm is incorporated in a finite element method-of-lines code and tested on a set of reaction-diffusion systems. The effect of incomplete assembly on CPU time and storage and on the performance of the temporal integrator DASPK, algebraic solver GMRES and preconditioner ILUT is studied

Development of a utility system for nuclear reaction data file: WinNRDF

International Nuclear Information System (INIS)

Aoyama, Shigeyoshi; Ohbayasi, Yosihide; Masui, Hiroshi; Chiba, Masaki; Kato, Kiyoshi; Ohnishi, Akira

2000-01-01

A utility system, WinNRDF, is developed for charged particle nuclear reaction data of NRDF (Nuclear Reaction Data File) on the Windows interface. By using this system, we can easily search the experimental data of a charged particle nuclear reaction in NRDF than old retrieval systems on the mainframe and also see graphically the experimental data on GUI (Graphical User Interface). We adopted a mechanism of making a new index of keywords to put to practical use of the time dependent properties of the NRDF database. (author)

Unequal diffusivities case of homogeneous–heterogeneous reactions within viscoelastic fluid flow in the presence of induced magnetic-field and nonlinear thermal radiation

Directory of Open Access Journals (Sweden)

I.L. Animasaun

2016-06-01

Full Text Available This article presents the effects of nonlinear thermal radiation and induced magnetic field on viscoelastic fluid flow toward a stagnation point. It is assumed that there exists a kind of chemical reaction between chemical species A and B. The diffusion coefficients of the two chemical species in the viscoelastic fluid flow are unequal. Since chemical species B is a catalyst at the horizontal surface, hence homogeneous and heterogeneous schemes are of the isothermal cubic autocatalytic reaction and first order reaction respectively. The transformed governing equations are solved numerically using Runge–Kutta integration scheme along with Newton’s method. Good agreement is obtained between present and published numerical results for a limiting case. The influence of some pertinent parameters on skin friction coefficient, local heat transfer rate, together with velocity, induced magnetic field, temperature, and concentration profiles is illustrated graphically and discussed. Based on all of these assumptions, results indicate that the effects of induced magnetic and viscoelastic parameters on velocity, transverse velocity and velocity of induced magnetic field are almost the same but opposite in nature. The strength of heterogeneous reaction parameter is very helpful to reduce the concentration of bulk fluid and increase the concentration of catalyst at the surface.

Characterization of acid-base properties of unstable drugs using a continuous-flow system with UV-vis spectrophotometric detection.

Science.gov (United States)

Argemí, Anna; Saurina, Javier

2007-08-15

In this paper, we propose a continuous-flow system for the study of the acid-base characteristics of unstable drugs. 5-Azacytidine has been selected as a first model of unstable compound, which progressively decomposes in aqueous solutions. Besides, other compounds undergoing hydrolysis and oxidation side reactions have been also analyzed to explore the performance of the method. In comparison with conventional batch titrations, the drug decomposition can be minimized by the continuous renewal of the analyte solution. The composition of the buffer mixture is varied on-line during the process from successive changes in the flow rates of acid and basic stock solutions. As a result, the pH value of the test solution is varied in a controlled manner in the range of 1-13. Multivariate curve resolution based on alternating least squares has been used to extract relevant information concerning the acid-base properties of analytes. Results from the continuous-flow system have been compared with those obtained, using batch spectrophotometric titrations, and in the case of fast degradations, the performance of the proposed procedure has been superior.

Circulation system for flowing uranium hexafluoride cavity reactor experiments

International Nuclear Information System (INIS)

Jaminet, J.F.; Kendall, J.S.

1976-01-01

Accomplishment of the UF 6 critical cavity experiments, currently in progress, and planned confined flowing UF 6 initial experiments requires development of reliable techniques for handling heated UF 6 throughout extended ranges of temperature, pressure, and flow rate. The development of three laboratory-scale flow systems for handling gaseous UF 6 at temperatures up to 500 K, pressures up to approximately 40 atm, and continuous flow rates up to approximately 50 g/s is presented. A UF 6 handling system fabricated for static critical tests currently being conducted at Los Alamos Scientific Laboratory (LASL) is described. The system was designed to supply UF 6 to a double-walled aluminum core canister assembly at temperatures between 300 K and 400 K and pressures up to 4 atm. A second UF 6 handling system designed to provide a circulating flow of up to 50 g/s of gaseous UF 6 in a closed-loop through a double-walled aluminum core canister with controlled temperature and pressure is described

Study of the Mo(VI) catalytic response in the oxidation of iodide by hydrogen peroxide using a monosegmented continuous-flow system

International Nuclear Information System (INIS)

Andrade, J.C. de; Eiras, S.P.; Bruns, R.E.

1991-01-01

Fractional factorial, modified simplex and response surface studies of the Mo(VI)-catalysed and non-catalysed oxidation of iodide by hydrogen peroxide in acidic medium were executed using a monosegmented continuous-flow system (MCFS). As this reaction is commonly used for the spectrophotometric catalytic determination of Mo(VI), the behaviour of the analytically useful response, ΔA, the difference of the average absorbance values of the Mo(VI)-catalysed and non-catalysed reactions, was studied over a large range of experimental conditions. The effects of simultaneous changes in the sample flow-rate, the H 2 SO 4 , KI and H 2 O 2 concentrations and the reaction time on the signals were measured. The optimum concentrations found using MCFS are 0.0665, 0.1528 and 0.0041 M for H 2 SO 4 , KI and H 2 O 2 , respectively. Rigorous control of the acid concentration is essential to maintain the sensitivity of the analytical signal for operating conditions close to the optimum values recommended here. On the other hand, the ΔA values are much less sensitive to variations in the H 2 O 2 concentration. Increasing KI concentrations can improve the sensitivity but can also cause baseline instability. The response surface is convenient for visualizing the overall behaviour of the system for the experimental control values investigated. (author). 24 refs.; 3 figs.; 1 tab

21 CFR 876.1800 - Urine flow or volume measuring system.

Science.gov (United States)

2010-04-01

... volume measuring system. (a) Identification. A urine flow or volume measuring system is a device that measures directly or indirectly the volume or flow of urine from a patient, either during the course of... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Urine flow or volume measuring system. 876.1800...

Particle in the Brusselator Model with Flow

DEFF Research Database (Denmark)

Kuptsov, P.V.; Kuznetsov, S.P.; Mosekilde, Erik

2002-01-01

We consider the interaction of a small moving particle with a stationary space-periodic pattern in a chemical reaction-diffusion system with a flow. The pattern is produced by a one-dimensional Brusselator model that is perturbed by a constant displacement from the equilibrium state at the inlet....... By partially blocking the flow, the particle gives rise to a local increment of the flow rate. For certain parameter values a response with intermittent Hopf and Turing type structures is observed. In other regimes a wave of substitution of missing peaks runs across the pattern....

Systemic Inflammatory Reaction in Operative Gynecological Care

Directory of Open Access Journals (Sweden)

A. V. Pronoza

2008-01-01

Full Text Available Objective: to evaluate the impact of various methods of anesthesia and treatment on the development of a systemic inflammatory reaction (SIR in gynecological patients. Subjects and methods. The manifestations of SIR were studied in 426 patients who had undergone standard operations on the uterine appendages via traditional laparoscopic access. Ninety-seven women had unoptimized anesthetic maintenance and postoperative preventive antibacterial therapy (Group 1; 95 women had unop-timized anesthetic maintenance and pre- and postoperative massive antibacterial therapy (Group 2; 103 women had optimized anesthetic maintenance and preventive antibacterial therapy (Group 3; 131 women had optimized anesthetic maintenance and massive antibacterial therapy (Group 4. Results. Antibacterial therapy was not found to affect the manifestations of SIR significantly. The optimized anesthetic maintenance that differed from the unoptimized one in higher nociceptive defense had a considerable impact on the manifestation of SIR. Low molecular-weight heparins and preoperative hyperv-olemic hemodilution with hydroxyethyl starch preparations positively affected the study indices. The observed SIR belonged to the second stage of release of the small amount of mediators into systemic circulation. The transition of SIR to the third stage of inflammatory reaction generalization was suggested by changes in other monitored parameters, simultaneously informing about this or that degree of multiple organ dysfunction. Conclusion. Laparoscopic surgical intervention, multicom-ponent preoperative sedation, preventive preoperative analgesia with nonsteroidal anti-inflammatory drugs, prevention of microcirculatory disorders with low molecular-weight heparins, preoperative hypervolemic hemodilution with hydroxyethyl starch, and use of the loading doses of opioids in the period of induction to anesthesia in combination with propofol lower the level of a systemic inflammatory response

Multicomponent, flow diazotization/Mizoroki-Heck coupling protocol: dispelling myths about working with diazonium salts.

Science.gov (United States)

Nalivela, Kumara S; Tilley, Michael; McGuire, Michael A; Organ, Michael G

2014-05-26

A single pass flow diazotization/Mizoroki-Heck protocol has been developed for the production of cinnimoyl and styryl products. The factors that govern aryl diazonium salt stability have been examined in detail leading to the development of a MeOH/DMF co-solvent system in which the diazonium salts can be generated in the presence of all other reaction components and then coupled selectively to give the desired products. Finally the key role of the reaction quench for flow reactions has been demonstrated. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nuclear clusters as a probe for expansion flow in heavy ion reactions at (10 endash 15)A GeV

International Nuclear Information System (INIS)

Mattiello, R.; Mattiello, R.; Sorge, H.; Stoecker, H.; Greiner, W.

1997-01-01

A phase space coalescence description based on the Wigner-function method for cluster formation in relativistic nucleus-nucleus collisions is presented. The momentum distributions of nuclear clusters d, t, and He are predicted for central Au(11.6A GeV)Au and Si(14.6A GeV)Si reactions in the framework of the relativistic quantum molecular dynamics transport approach. Transverse expansion leads to a strong shoulder-arm shape and different inverse slope parameters in the transverse spectra of nuclear clusters deviating markedly from thermal distributions. A clear open-quotes bounce-off close-quote close-quote event shape is seen: The averaged transverse flow velocities in the reaction plane are for clusters larger than for protons. The cluster yields, particularly at low p t at midrapidities, and the in-plane (anti)flow of clusters and pions change if suitably strong baryon potential interactions are included. This allows one to study the transient pressure at high density via the event shape analysis of nucleons, nucleon clusters, and other hadrons. copyright 1997 The American Physical Society

NASA Ares I Launch Vehicle Roll and Reaction Control Systems Design Status

Science.gov (United States)

Butt, Adam; Popp, Chris G.; Pitts, Hank M.; Sharp, David J.

2009-01-01

This paper provides an update of design status following the preliminary design review of NASA s Ares I first stage roll and upper stage reaction control systems. The Ares I launch vehicle has been chosen to return humans to the moon, mars, and beyond. It consists of a first stage five segment solid rocket booster and an upper stage liquid bi-propellant J-2X engine. Similar to many launch vehicles, the Ares I has reaction control systems used to provide the vehicle with three degrees of freedom stabilization during the mission. During launch, the first stage roll control system will provide the Ares I with the ability to counteract induced roll torque. After first stage booster separation, the upper stage reaction control system will provide the upper stage element with three degrees of freedom control as needed. Trade studies and design assessments conducted on the roll and reaction control systems include: propellant selection, thruster arrangement, pressurization system configuration, and system component trades. Since successful completion of the preliminary design review, work has progressed towards the critical design review with accomplishments made in the following areas: pressurant / propellant tank, thruster assembly, and other component configurations, as well as thruster module design, and waterhammer mitigation approach. Also, results from early development testing are discussed along with plans for upcoming system testing. This paper concludes by summarizing the process of down selecting to the current baseline configuration for the Ares I roll and reaction control systems.

The entropy dissipation method for spatially inhomogeneous reaction-diffusion-type systems

KAUST Repository

Di Francesco, M.

2008-12-08

We study the long-time asymptotics of reaction-diffusion-type systems that feature a monotone decaying entropy (Lyapunov, free energy) functional. We consider both bounded domains and confining potentials on the whole space for arbitrary space dimensions. Our aim is to derive quantitative expressions for (or estimates of) the rates of convergence towards an (entropy minimizing) equilibrium state in terms of the constants of diffusion and reaction and with respect to conserved quantities. Our method, the so-called entropy approach, seeks to quantify convergence to equilibrium by using functional inequalities, which relate quantitatively the entropy and its dissipation in time. The entropy approach is well suited to nonlinear problems and known to be quite robust with respect to model variations. It has already been widely applied to scalar diffusion-convection equations, and the main goal of this paper is to study its generalization to systems of partial differential equations that contain diffusion and reaction terms and admit fewer conservation laws than the size of the system. In particular, we successfully apply the entropy approach to general linear systems and to a nonlinear example of a reaction-diffusion-convection system arising in solid-state physics as a paradigm for general nonlinear systems. © 2008 The Royal Society.

Reaction rate constants of HO2 + O3 in the temperature range 233-400 K

Science.gov (United States)

Wang, Xiuyan; Suto, Masako; Lee, L. C.

1988-01-01

The reaction rate constants of HO2 + O3 were measured in the temperature range 233-400 K using a discharge flow system with photofragment emission detection. In the range 233-253 K, the constants are approximately a constant value, and then increase with increasing temperature. This result suggests that the reaction may have two different channels. An expression representing the reaction rate constants is presented.

Air flow quality analysis of modenas engine exhaust system

Science.gov (United States)

Shahriman A., B.; Mohamad Syafiq A., K.; Hashim, M. S. M.; Razlan, Zuradzman M.; Khairunizam W. A., N.; Hazry, D.; Afendi, Mohd; Daud, R.; Rahman, M. D. Tasyrif Abdul; Cheng, E. M.; Zaaba, S. K.

2017-09-01

The simulation process being conducted to determine the air flow effect between the original exhaust system and modified exhaust system. The simulations are conducted to investigate the flow distribution of exhaust gases that will affect the performance of the engine. The back flow pressure in the original exhaust system is predicted toward this simulation. The design modification to the exhaust port, exhaust pipe, and exhaust muffler has been done during this simulation to reduce the back flow effect. The new designs are introduced by enlarging the diameter of the exhaust port, enlarge the diameter of the exhaust pipe and created new design for the exhaust muffler. Based on the result obtained, there the pulsating flow form at the original exhaust port that will increase the velocity and resulting the back pressure occur. The result for new design of exhaust port, the velocity is lower at the valve guide in the exhaust port. New design muffler shows that the streamline of the exhaust flow move smoothly compare to the original muffler. It is proved by using the modification exhaust system, the back pressure are reduced and the engine performance can be improve.

Traffic flow wide-area surveillance system definition

Energy Technology Data Exchange (ETDEWEB)

Allgood, G.O.; Ferrell, R.K.; Kercel, S.W.; Abston, R.A.; Carnal, C.L. [Oak Ridge National Lab., TN (United States); Moynihan, P.I. [Jet Propulsion Lab., Pasadena, CA (United States)

1994-11-01

Traffic Flow Wide-Area Surveillance (TFWAS) is a system for assessing the state of traffic flow over a wide area for enhanced traffic control and improved traffic management and planning. The primary purpose of a TFWAS system is to provide a detailed traffic flow description and context description to sophisticated traffic management and control systems being developed or envisioned for the future. A successful TFWAS system must possess the attributes of safety, reconfigurability, reliability, and expandability. The primary safety premise of TFWAS is to ensure that no action or failure of the TFWAS system or its components can result in risk of injury to humans. A wide variety of communication techniques is available for use with TFWAS systems. These communication techniques can be broken down into two categories, landlines and wireless. Currently used and possible future traffic sensing technologies have been examined. Important criteria for selecting TFWAS sensors include sensor capabilities, costs, operational constraints, sensor compatibility with the infrastructure, and extent. TFWAS is a concept that can take advantage of the strengths of different traffic sensing technologies, can readily adapt to newly developed technologies, and can grow with the development of new traffic control strategies. By developing innovative algorithms that will take information from a variety of sensor types and develop descriptions of traffic flows over a wide area, a more comprehensive understanding of the traffic state can be provided to the control system to perform the most reasonable control actions over the entire wide area. The capability of characterizing the state of traffic over an entire region should revolutionize developments in traffic control strategies.