Mass-transfer limitations for immobilized enzyme-catalyzed kinetic resolution of racemate in a fixed-bed reactor.

PubMed

Xiu, G H; Jiang, L; Li, P

2001-07-05

A mathematical model has been developed for immobilized enzyme-catalyzed kinetic resolution of racemate in a fixed-bed reactor in which the enzyme-catalyzed reaction (the irreversible uni-uni competitive Michaelis-Menten kinetics is chosen as an example) was coupled with intraparticle diffusion, external mass transfer, and axial dispersion. The effects of mass-transfer limitations, competitive inhibition of substrates, deactivation on the enzyme effective enantioselectivity, and the optical purity and yield of the desired product are examined quantitatively over a wide range of parameters using the orthogonal collocation method. For a first-order reaction, an analytical solution is derived from the mathematical model for slab-, cylindrical-, and spherical-enzyme supports. Based on the analytical solution for the steady-state resolution process, a new concise formulation is presented to predict quantitatively the mass-transfer limitations on enzyme effective enantioselectivity and optical purity and yield of the desired product for a continuous steady-state kinetic resolution process in a fixed-bed reactor. Copyright 2001 John Wiley & Sons, Inc.

Kinetic of carbonaceous substrate in an upflow anaerobic sludge sludge blanket (UASB) reactor treating 2,4 dichlorophenol (2,4 DCP).

PubMed

Sponza, Delia Teresa; Uluköy, Ayşen

2008-01-01

The performance of an upflow anaerobic sludge blanket (UASB) reactor treating 2,4 dichlorophenol (2,4 DCP) was evaluated at different hydraulic retention times (HRTs) using synthetic wastewater in order to obtain the growth substrate (glucose-COD) and 2,4 DCP removal kinetics. Treatment efficiencies of the UASB reactor were investigated at different hydraulic retention times (2-20 h) corresponding to a food to mass (F/M) ratio of 1.2-1.92 g-COD g(-1) VSS day(-1). A total of 65-83% COD removal efficiencies were obtained at HRTs of 2-20 h. In all, 83% and 99% 2,4 DCP removals were achieved at the same HRTs in the UASB reactor. Conventional Monod, Grau Second-order and Modified Stover-Kincannon models were applied to determine the substrate removal kinetics of the UASB reactor. The experimental data obtained from the kinetic models showed that the Monod kinetic model is more appropriate for correlating the substrate removals compared to the other models for the UASB reactor. The maximum specific substrate utilization rate (k) (mg-COD mg(-1) SS day(-1)), half-velocity concentration (K(s)) (mg COD l(-1)), growth yield coefficient (Y) (mg mg(-1)) and bacterial decay coefficient (b) (day(-1)) were 0.954 mg-COD mg(-1) SS day(-1), 560.29 mg-COD l(-1), 0.78 mg-SS g(-1)-COD, 0.093 day(-1) in the Conventional Monod kinetic model. The second-order kinetic coefficient (k(2)) was calculated as 0.26 day(-1) in the Grau reaction kinetic model. The maximum COD removal rate constant (U(max)) and saturation value (K(B)) were calculated as 7.502 mg CODl(-1)day(-1) and 34.56 mg l(-1)day(-1) in the Modified Stover-Kincannon Model. The (k)(mg-2,4 DCP mg(-1) SS day(-1)), (K(s)) (mg 2,4 DCPl(-1)), (Y) (mg SS mg(-1) 2,4 DCP) and (k(d)) (day(-1)) were 0.0041 mg-2,4 DCP mg(-1) SS day(-1), 2.06 mg-COD l(-1), 0.0017 mg-SS mg(-1) 2,4 DCP and 3.1 x 10(-5) day(-1) in the Conventional Monod kinetic model for 2,4 DCP degradation. The second-order kinetic coefficient (k(2)) was calculated as 0.30 day

A new approach for development of kinetics of wastewater treatment in aerobic biofilm reactor

NASA Astrophysics Data System (ADS)

Goswami, S.; Sarkar, S.; Mazumder, D.

2017-09-01

Biofilm process is widely used for the treatment of a variety of wastewater especially containing slowly biodegradable substances. It provides resistance against toxic environment and is capable of retaining biomass under continuous operation. Development of kinetics is very much pertinent for rational design of a biofilm process for the treatment of wastewater with or without inhibitory substances. A simple approach for development of such kinetics for an aerobic biofilm reactor has been presented using a novel biofilm model. The said biofilm model is formulated from the correlations between substrate concentrations in the influent/effluent and at biofilm liquid interface along with substrate flux and biofilm thickness complying Monod's growth kinetics. The methodology for determining the kinetic coefficients for substrate removal and biomass growth has been demonstrated stepwise along with graphical representations. Kinetic coefficients like K, k, Y, b t, b s, and b d are determined either from the intercepts of X- and Y-axis or from the slope of the graphical plots.

Photocatalytic mineralization of commercial herbicides in a pilot-scale solar CPC reactor: photoreactor modeling and reaction kinetics constants independent of radiation field.

PubMed

Colina-Márquez, Jose; Machuca-Martínez, Fiderman; Li Puma, Gianluca

2009-12-01

The six-flux absorption-scattering model (SFM) of the radiation field in the photoreactor, combined with reaction kinetics and fluid-dynamic models, has proved to be suitable to describe the degradation of water pollutants in heterogeneous photocatalytic reactors, combining simplicity and accuracy. In this study, the above approach was extended to model the photocatalytic mineralization of a commercial herbicides mixture (2,4-D, diuron, and ametryne used in Colombian sugar cane crops) in a solar, pilot-scale, compound parabolic collector (CPC) photoreactor using a slurry suspension of TiO(2). The ray-tracing technique was used jointly with the SFM to determine the direction of both the direct and diffuse solar photon fluxes and the spatial profile of the local volumetric rate of photon absorption (LVRPA) in the CPC reactor. Herbicides mineralization kinetics with explicit photon absorption effects were utilized to remove the dependence of the observed rate constants from the reactor geometry and radiation field in the photoreactor. The results showed that the overall model fitted the experimental data of herbicides mineralization in the solar CPC reactor satisfactorily for both cloudy and sunny days. Using the above approach kinetic parameters independent of the radiation field in the reactor can be estimated directly from the results of experiments carried out in a solar CPC reactor. The SFM combined with reaction kinetics and fluid-dynamic models proved to be a simple, but reliable model, for solar photocatalytic applications.

Antibiotic Fermentation Broth Treatment by a pilot upflow anaerobic sludge bed reactor and kinetic modeling.

PubMed

Coskun, T; Kabuk, H A; Varinca, K B; Debik, E; Durak, I; Kavurt, C

2012-10-01

In this study, an upflow anaerobic sludge blanket (UASB) mesophilic reactor was used to remove antibiotic fermentation broth wastewater. The hydraulic retention time was held constant at 13.3 days. The volumetric organic loading value increased from 0.33 to 7.43 kg(COD)m(-3)d(-1) using antibiotic fermentation broth wastewater gradually diluted with various ratios of domestic wastewater. A COD removal efficiency of 95.7% was obtained with a maximum yield of 3,700 L d(-1) methane gas production. The results of the study were interpreted using the modified Stover-Kincannon, first-order, substrate mass balance and Van der Meer and Heertjes kinetic models. The obtained kinetic coefficients showed that antibiotic fermentation broth wastewater can be successfully treated using a UASB reactor while taking COD removal and methane production into account. Copyright © 2012 Elsevier Ltd. All rights reserved.

Three-dimensional time-dependent STAR reactor kinetics analyses coupled with RETRAN and MCPWR system response

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feltus, M.A.

1989-11-01

The operation of a nuclear power plant must be regularly supported by various reactor dynamics and thermal-hydraulic analyses, which may include final safety analysis report (FSAR) design-basis calculations, and conservative and best-estimate analyses. The development and improvement of computer codes and analysis methodologies provide many advantages, including the ability to evaluate the effect of modeling simplifications and assumptions made in previous reactor kinetics and thermal-hydraulic calculations. This paper describes the results of using the RETRAN, MCPWR, and STAR codes in a tandem, predictive-corrective manner for three pressurized water reactor (PWR) transients: (a) loss of feedwater (LOF) anticipated transient without scrammore » (ATWS), (b) station blackout ATWS, and (c) loss of total reactor coolant system (RCS) flow with a scram.« less

Coupling of kinetic Monte Carlo simulations of surface reactions to transport in a fluid for heterogeneous catalytic reactor modeling.

PubMed

Schaefer, C; Jansen, A P J

2013-02-07

We have developed a method to couple kinetic Monte Carlo simulations of surface reactions at a molecular scale to transport equations at a macroscopic scale. This method is applicable to steady state reactors. We use a finite difference upwinding scheme and a gap-tooth scheme to efficiently use a limited amount of kinetic Monte Carlo simulations. In general the stochastic kinetic Monte Carlo results do not obey mass conservation so that unphysical accumulation of mass could occur in the reactor. We have developed a method to perform mass balance corrections that is based on a stoichiometry matrix and a least-squares problem that is reduced to a non-singular set of linear equations that is applicable to any surface catalyzed reaction. The implementation of these methods is validated by comparing numerical results of a reactor simulation with a unimolecular reaction to an analytical solution. Furthermore, the method is applied to two reaction mechanisms. The first is the ZGB model for CO oxidation in which inevitable poisoning of the catalyst limits the performance of the reactor. The second is a model for the oxidation of NO on a Pt(111) surface, which becomes active due to lateral interaction at high coverages of oxygen. This reaction model is based on ab initio density functional theory calculations from literature.

Analysis of fluid fuel flow to the neutron kinetics on molten salt reactor FUJI-12

NASA Astrophysics Data System (ADS)

Aji, Indarta Kuncoro; Waris, Abdul; Permana, Sidik

2015-09-01

Molten Salt Reactor is a reactor are operating with molten salt fuel flowing. This condition interpret that the neutron kinetics of this reactor is affected by the flow rate of the fuel. This research analyze effect by the alteration velocity of the fuel by MSR type Fuji-12, with fuel composition LiF-BeF2-ThF4-233UF4 respectively 71.78%-16%-11.86%-0.36%. Calculation process in this study is performed numerically by SOR and finite difference method use C programming language. Data of reactivity, neutron flux, and the macroscopic fission cross section for calculation process obtain from SRAC-CITATION (Standard thermal Reactor Analysis Code) and JENDL-4.0 data library. SRAC system designed and developed by JAEA (Japan Atomic Energy Agency). This study aims to observe the effect of the velocity of fuel salt to the power generated from neutron precursors at fourth year of reactor operate (last critical condition) with number of multiplication effective; 1.0155.

Start-up of membrane bioreactor and hybrid moving bed biofilm reactor-membrane bioreactor: kinetic study.

PubMed

Leyva-Díaz, J C; Poyatos, J M

2015-01-01

A hybrid moving bed biofilm reactor-membrane bioreactor (hybrid MBBR-MBR) system was studied as an alternative solution to conventional activated sludge processes and membrane bioreactors. This paper shows the results obtained from three laboratory-scale wastewater treatment plants working in parallel in the start-up and steady states. The first wastewater treatment plant was a MBR, the second one was a hybrid MBBR-MBR system containing carriers both in anoxic and aerobic zones of the bioreactor (hybrid MBBR-MBRa), and the last one was a hybrid MBBR-MBR system which contained carriers only in the aerobic zone (hybrid MBBR-MBRb). The reactors operated with a hydraulic retention time of 30.40 h. A kinetic study for characterizing heterotrophic biomass was carried out and organic matter and nutrients removals were evaluated. The heterotrophic biomass of the hybrid MBBR-MBRb showed the best kinetic performance in the steady state, with yield coefficient for heterotrophic biomass=0.30246 mg volatile suspended solids per mg chemical oxygen demand, maximum specific growth rate for heterotrophic biomass=0.00308 h(-1) and half-saturation coefficient for organic matter=3.54908 mg O2 L(-1). The removal of organic matter was supported by the kinetic study of heterotrophic biomass.

[Kinetics of catalytic wet air oxidation of phenol in trickle bed reactor].

PubMed

Li, Guang-ming; Zhao, Jian-fu; Wang, Hua; Zhao, Xiu-hua; Zhou, Yang-yuan

2004-05-01

By using a trickle bed reactor which was designed by the authors, the catalytic wet air oxidation reaction of phenol on CuO/gamma-Al2O3 catalyst was studied. The results showed that in mild operation conditions (at temperature of 180 degrees C, pressure of 3 MPa, liquid feed rate of 1.668 L x h(-1) and oxygen feed rate of 160 L x h(-1)), the removal of phenol can be over 90%. The curve of phenol conversion is similar to "S" like autocatalytic reaction, and is accordance with chain reaction of free radical. The kinetic model of pseudo homogenous reactor fits the catalytic wet air oxidation reaction of phenol. The effects of initial concentration of phenol, liquid feed rate and temperature for reaction also were investigated.

Batch Tests To Determine Activity Distribution and Kinetic Parameters for Acetate Utilization in Expanded-Bed Anaerobic Reactors

PubMed Central

Fox, Peter; Suidan, Makram T.

1990-01-01

Batch tests to measure maximum acetate utilization rates were used to determine the distribution of acetate utilizers in expanded-bed sand and expanded-bed granular activated carbon (GAC) reactors. The reactors were fed a mixture of acetate and 3-ethylphenol, and they contained the same predominant aceticlastic methanogen, Methanothrix sp. Batch tests were performed both on the entire reactor contents and with media removed from the reactors. Results indicated that activity was evenly distributed within the GAC reactors, whereas in the sand reactor a sludge blanket on top of the sand bed contained approximately 50% of the activity. The Monod half-velocity constant (Ks) for the acetate-utilizing methanogens in two expanded-bed GAC reactors was searched for by combining steady-state results with batch test data. All parameters necessary to develop a model with Monod kinetics were experimentally determined except for Ks. However, Ks was a function of the effluent 3-ethylphenol concentration, and batch test results demonstrated that maximum acetate utilization rates were not a function of the effluent 3-ethylphenol concentration. Addition of a competitive inhibition term into the Monod expression predicted the dependence of Ks on the effluent 3-ethylphenol concentration. A two-parameter search determined a Ks of 8.99 mg of acetate per liter and a Ki of 2.41 mg of 3-ethylphenol per liter. Model predictions were in agreement with experimental observations for all effluent 3-ethylphenol concentrations. Batch tests measured the activity for a specific substrate and determined the distribution of activity in the reactor. The use of steady-state data in conjunction with batch test results reduced the number of unknown kinetic parameters and thereby reduced the uncertainty in the results and the assumptions made. PMID:16348175

Batch tests to determine activity distribution and kinetic parameters for acetate utilization in expanded-bed anaerobic reactors.

PubMed

Fox, P; Suidan, M T

1990-04-01

Batch tests to measure maximum acetate utilization rates were used to determine the distribution of acetate utilizers in expanded-bed sand and expanded-bed granular activated carbon (GAC) reactors. The reactors were fed a mixture of acetate and 3-ethylphenol, and they contained the same predominant aceticlastic methanogen, Methanothrix sp. Batch tests were performed both on the entire reactor contents and with media removed from the reactors. Results indicated that activity was evenly distributed within the GAC reactors, whereas in the sand reactor a sludge blanket on top of the sand bed contained approximately 50% of the activity. The Monod half-velocity constant (K(s)) for the acetate-utilizing methanogens in two expanded-bed GAC reactors was searched for by combining steady-state results with batch test data. All parameters necessary to develop a model with Monod kinetics were experimentally determined except for K(s). However, K(s) was a function of the effluent 3-ethylphenol concentration, and batch test results demonstrated that maximum acetate utilization rates were not a function of the effluent 3-ethylphenol concentration. Addition of a competitive inhibition term into the Monod expression predicted the dependence of K(s) on the effluent 3-ethylphenol concentration. A two-parameter search determined a K(s) of 8.99 mg of acetate per liter and a K(i) of 2.41 mg of 3-ethylphenol per liter. Model predictions were in agreement with experimental observations for all effluent 3-ethylphenol concentrations. Batch tests measured the activity for a specific substrate and determined the distribution of activity in the reactor. The use of steady-state data in conjunction with batch test results reduced the number of unknown kinetic parameters and thereby reduced the uncertainty in the results and the assumptions made.

Development of a point-kinetic verification scheme for nuclear reactor applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Demazière, C., E-mail: demaz@chalmers.se; Dykin, V.; Jareteg, K.

In this paper, a new method that can be used for checking the proper implementation of time- or frequency-dependent neutron transport models and for verifying their ability to recover some basic reactor physics properties is proposed. This method makes use of the application of a stationary perturbation to the system at a given frequency and extraction of the point-kinetic component of the system response. Even for strongly heterogeneous systems for which an analytical solution does not exist, the point-kinetic component follows, as a function of frequency, a simple analytical form. The comparison between the extracted point-kinetic component and its expectedmore » analytical form provides an opportunity to verify and validate neutron transport solvers. The proposed method is tested on two diffusion-based codes, one working in the time domain and the other working in the frequency domain. As long as the applied perturbation has a non-zero reactivity effect, it is demonstrated that the method can be successfully applied to verify and validate time- or frequency-dependent neutron transport solvers. Although the method is demonstrated in the present paper in a diffusion theory framework, higher order neutron transport methods could be verified based on the same principles.« less

Study of carbon dioxide gas treatment based on equations of kinetics in plasma discharge reactor

NASA Astrophysics Data System (ADS)

Abedi-Varaki, Mehdi

2017-08-01

Carbon dioxide (CO2) as the primary greenhouse gas, is the main pollutant that is warming earth. CO2 is widely emitted through the cars, planes, power plants and other human activities that involve the burning of fossil fuels (coal, natural gas and oil). Thus, there is a need to develop some method to reduce CO2 emission. To this end, this study investigates the behavior of CO2 in dielectric barrier discharge (DBD) plasma reactor. The behavior of different species and their reaction rates are studied using a zero-dimensional model based on equations of kinetics inside plasma reactor. The results show that the plasma reactor has an effective reduction on the CO2 density inside the reactor. As a result of reduction in the temporal variations of reaction rate, the speed of chemical reactions for CO2 decreases and very low concentration of CO2 molecules inside the plasma reactor is generated. The obtained results are compared with the existing experimental and simulation findings in the literature.

Analysis of fluid fuel flow to the neutron kinetics on molten salt reactor FUJI-12

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aji, Indarta Kuncoro, E-mail: indartaaji@s.itb.ac.id; Waris, Abdul, E-mail: awaris@fi.itb.ac.id; Permana, Sidik

Molten Salt Reactor is a reactor are operating with molten salt fuel flowing. This condition interpret that the neutron kinetics of this reactor is affected by the flow rate of the fuel. This research analyze effect by the alteration velocity of the fuel by MSR type Fuji-12, with fuel composition LiF-BeF{sub 2}-ThF{sub 4}-{sup 233}UF{sub 4} respectively 71.78%-16%-11.86%-0.36%. Calculation process in this study is performed numerically by SOR and finite difference method use C programming language. Data of reactivity, neutron flux, and the macroscopic fission cross section for calculation process obtain from SRAC-CITATION (Standard thermal Reactor Analysis Code) and JENDL-4.0 datamore » library. SRAC system designed and developed by JAEA (Japan Atomic Energy Agency). This study aims to observe the effect of the velocity of fuel salt to the power generated from neutron precursors at fourth year of reactor operate (last critical condition) with number of multiplication effective; 1.0155.« less

Thermo-kinetic instabilities in model reactors. Examples in experimental tests

NASA Astrophysics Data System (ADS)

Lavadera, Marco Lubrano; Sorrentino, Giancarlo; Sabia, Pino; de Joannon, Mara; Cavaliere, Antonio; Ragucci, Raffaele

2017-11-01

The use of advanced combustion technologies (such as MILD, LTC, etc.) is among the most promising methods to reduce emission of pollutants. For such technologies, working temperatures are enough low to boost the formation of several classes of pollutants, such as NOx and soot. To access this temperature range, a significant dilution as well as preheating of reactants is required. Such conditions are usually achieved by a strong recirculation of exhaust gases that simultaneously dilute and pre-heat the fresh reactants. These peculiar operative conditions also imply strong fuel flexibility, thus allowing the use of low calorific value (LCV) energy carriers with high efficiency. However, the intersection of low combustion temperatures and highly diluted mixtures with intense pre-heating alters the evolution of the combustion process with respect to traditional flames, leading to features such as the susceptibility to oscillations, which are undesirable during combustion. Therefore, an effective use of advanced combustion technologies requires a thorough analysis of the combustion kinetic characteristics in order to identify optimal operating conditions and control strategies with high efficiency and low pollutant emissions. The present work experimentally and numerically characterized the ignition and oxidation processes of methane and propane, highly diluted in nitrogen, at atmospheric pressure, in a Plug Flow Reactor and a Perfectly Stirred Reactor under a wide range of operating conditions involving temperatures, mixture compositions and dilution levels. The attention was focused particularly on the chemistry of oscillatory phenomena and multistage ignitions. The global behavior of these systems can be qualitatively and partially quantitatively modeled using the detailed kinetic models available in the literature. Results suggested that, for diluted conditions and lower adiabatic flame temperatures, the competition among several pathways, i.e. intermediate- and

Disclosure of the oscillations in kinetics of the reactor pressure vessel steel damage at fast neutron intensity decreasing

NASA Astrophysics Data System (ADS)

Krasikov, E.; Nikolaenko, V.

2017-01-01

Fast neutron intensity influence on reactor materials radiation damage is a critically important question in the problem of the correct use of the accelerated irradiation tests data for substantiation of the materials workability in real irradiation conditions that is low neutron intensity. Investigations of the fast neutron intensity (flux) influence on radiation damage and experimental data scattering reveal the existence of non-monotonous sections in kinetics of the reactor pressure vessels (RPV) steel damage. Discovery of the oscillations as indicator of the self-organization processes presence give reasons for new ways searching on reactor pressure vessel (RPV) steel radiation stability increasing and attempt of the self-restoring metal elaboration. Revealing of the wavelike process in the form of non monotonous parts of the kinetics of radiation embrittlement testifies that periodic transformation of the structure take place. This fact actualizes the problem of more precise definition of the RPV materials radiation embrittlement mechanisms and gives reasons for search of the ways to manage the radiation stability (nanostructuring and so on to stimulate the radiation defects annihilation), development of the means for creating of more stableness self recovering smart materials.

Construction of a thermoresponsive magnetic porous polymer membrane enzyme reactor for glutaminase kinetics study.

PubMed

Zhao, Liping; Qiao, Juan; Moon, Meyong Hee; Qi, Li

2018-06-16

Fabrication of polymer membranes with nanopores and a confinement effect toward enzyme immobilization has been an enabling endeavor. In the work reported here, an enzyme reactor based on a thermoresponsive magnetic porous block copolymer membrane was designed and constructed. Reversible addition-fragmentation chain transfer polymerization was used to synthesize the block copolymer, poly(maleic anhydride-styrene-N-isopropylacrylamide), with poly(N-isopropylacrylamide) as the thermoresponsive moiety. The self-assembly property of the block copolymer was used for preparation of magnetic porous thin film matrices with iron oxide nanoparticles. By covalent bonding of glutaminase onto the surface of the membrane matrices and changing the temperature to tune the nanopore size, we observed enhanced enzymolysis efficiency due to the confinement effect. The apparent Michaelis-Menten constant and the maximum rate of the enzyme reactor were determined (K m = 32.3 mM, V max = 33.3 mM min -1 ) by a chiral ligand exchange capillary electrochromatography protocol with L-glutamine as the substrate. Compared with free glutaminase in solution, the proposed enzyme reactor exhibits higher enzymolysis efficiency, greater stability, and greater reusability. Furthermore, the enzyme reactor was applied for a glutaminase kinetics study. The tailored pore sizes and the thermoresponsive property of the block copolymer result in the designed porous membrane based enzyme reactor having great potential for high enzymolysis performance. Graphical abstract ᅟ.

Time-Resolved Kinetic Chirped-Pulse Rotational Spectroscopy in a Room-Temperature Flow Reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zaleski, Daniel P.; Harding, Lawrence B.; Klippenstein, Stephen J.

Chirped-pulse Fourier transform millimeter-wave spectroscopy is a potentially powerful tool for studying chemical reaction dynamics and kinetics. Branching ratios of multiple reaction products and intermediates can be measured with unprecedented chemical specificity; molecular isomers, conformers, and vibrational states have distinct rotational spectra. Here we demonstrate chirped-pulse spectroscopy of vinyl cyanide photoproducts in a flow tube reactor at ambient temperature of 295 K and pressures of 1-10 mu bar. This in situ and time-resolved experiment illustrates the utility of this novel approach to investigating chemical reaction dynamics and kinetics. Following 193 nm photodissociation of CH2CHCN, we observe rotational relaxation of energizedmore » HCN, HNC, and HCCCN photoproducts with 10 mu s time resolution and sample the vibrational population distribution of HCCCN. The experimental branching ratio HCN/HCCCN is compared with a model based on RRKM theory using high-level ab initio calculations, which were in turn validated by comparisons to Active Thermochemical Tables enthalpies.« less

Time-Resolved Kinetic Chirped-Pulse Rotational Spectroscopy in a Room-Temperature Flow Reactor

DOE PAGES

Zaleski, Daniel P.; Harding, Lawrence B.; Klippenstein, Stephen J.; ...

2017-12-01

Chirped-pulse Fourier transform millimeter-wave spectroscopy is a potentially powerful tool for studying chemical reaction dynamics and kinetics. Branching ratios of multiple reaction products and intermediates can be measured with unprecedented chemical specificity; molecular isomers, conformers, and vibrational states have distinct rotational spectra. Here we demonstrate chirped-pulse spectroscopy of vinyl cyanide photoproducts in a flow tube reactor at ambient temperature of 295 K and pressures of 1-10 mu bar. This in situ and time-resolved experiment illustrates the utility of this novel approach to investigating chemical reaction dynamics and kinetics. Following 193 nm photodissociation of CH2CHCN, we observe rotational relaxation of energizedmore » HCN, HNC, and HCCCN photoproducts with 10 mu s time resolution and sample the vibrational population distribution of HCCCN. The experimental branching ratio HCN/HCCCN is compared with a model based on RRKM theory using high-level ab initio calculations, which were in turn validated by comparisons to Active Thermochemical Tables enthalpies.« less

Growth and laccase production kinetics of Trametes versicolor in a stirred tank reactor.

PubMed

Thiruchelvam, A T; Ramsay, Juliana A

2007-03-01

White rot fungi are a promising option to treat recalcitrant organic molecules, such as lignin, polycyclic aromatic hydrocarbons, and textile dyes, because of the lignin-modifying enzymes (LMEs) they secrete. Because knowledge of the kinetic parameters is important to better design and operate bioreactors to cultivate these fungi for degradation and/or to produce LME(s), these parameters were determined using Trametes versicolor ATCC 20869 (ATCC, American Type Culture Collection) in a magnetic stir bar reactor. A complete set of kinetic data has not been previously published for this culture. Higher than previously reported growth rates with high laccase production of up to 1,385 U l(-1) occurred during growth without [Formula: see text] or glucose limitation. The maximum specific growth rate averaged 0.94 +/- 0.23 day(-1), whereas the maximum specific substrate consumption rates for glucose and ammonium were 3.37 +/- 1.16 and 0.15 +/- 0.04 day(-1), respectively. The maximum specific oxygen consumption rate was 1.63 +/- 0.36 day(-1).

Simulation on reactor TRIGA Puspati core kinetics fueled with thorium (Th) based fuel element

NASA Astrophysics Data System (ADS)

Mohammed, Abdul Aziz; Pauzi, Anas Muhamad; Rahman, Shaik Mohmmed Haikhal Abdul; Zin, Muhamad Rawi Muhammad; Jamro, Rafhayudi; Idris, Faridah Mohamad

2016-01-01

In confronting global energy requirement and the search for better technologies, there is a real case for widening the range of potential variations in the design of nuclear power plants. Smaller and simpler reactors are attractive, provided they can meet safety and security standards and non-proliferation issues. On fuel cycle aspect, thorium fuel cycles produce much less plutonium and other radioactive transuranic elements than uranium fuel cycles. Although not fissile itself, Th-232 will absorb slow neutrons to produce uranium-233 (233U), which is fissile. By introducing Thorium, the numbers of highly enriched uranium fuel element can be reduced while maintaining the core neutronic performance. This paper describes the core kinetic of a small research reactor core like TRIGA fueled with a Th filled fuel element matrix using a general purpose Monte Carlo N-Particle (MCNP) code.

Simulation on reactor TRIGA Puspati core kinetics fueled with thorium (Th) based fuel element

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mohammed, Abdul Aziz, E-mail: azizM@uniten.edu.my; Rahman, Shaik Mohmmed Haikhal Abdul; Pauzi, Anas Muhamad, E-mail: anas@uniten.edu.my

2016-01-22

In confronting global energy requirement and the search for better technologies, there is a real case for widening the range of potential variations in the design of nuclear power plants. Smaller and simpler reactors are attractive, provided they can meet safety and security standards and non-proliferation issues. On fuel cycle aspect, thorium fuel cycles produce much less plutonium and other radioactive transuranic elements than uranium fuel cycles. Although not fissile itself, Th-232 will absorb slow neutrons to produce uranium-233 ({sup 233}U), which is fissile. By introducing Thorium, the numbers of highly enriched uranium fuel element can be reduced while maintainingmore » the core neutronic performance. This paper describes the core kinetic of a small research reactor core like TRIGA fueled with a Th filled fuel element matrix using a general purpose Monte Carlo N-Particle (MCNP) code.« less

Kinetics of acetaminophen degradation by Fenton oxidation in a fluidized-bed reactor.

PubMed

de Luna, Mark Daniel G; Briones, Rowena M; Su, Chia-Chi; Lu, Ming-Chun

2013-01-01

Acetaminophen (ACT), an analgesic and antipyretic substance, is one of the most commonly detected pharmaceutical compound in surface waters and wastewaters. In this study, fluidized-bed Fenton (FB-Fenton) was used to decompose ACT into its final degradation products. The 1.45-L cylindrical glass reactor had inlet, outlet and recirculating sections. SiO(2) carrier particles were supported by glass beads with 2-4 mm in diameter. ACT concentration was determined by high performance liquid chromatography (HPLC). During the first 40 min of reaction, a fast initial ACT removal was observed and the "two-stage" ACT degradation conformed to a pseudo reaction kinetics. The effects of ferrous ion dosage and [Fe(2+)]/[H(2)O(2)] (FH ratio) were integrated into the derived pseudo second-order kinetic model. A reaction pathway was proposed based on the intermediates detected through SPME/GC-MS. The aromatic intermediates identified were hydroquinone, benzaldehydes and benzoic acids while the non-aromatic substances include alcohols, ketones, aldehydes and carboxylic acids. Rapid initial ACT degradation rate can be accomplished by high initial ferrous ion concentration and/or low FH ratio. Copyright © 2012 Elsevier Ltd. All rights reserved.

A KINETIC MODEL FOR H2O2/UV PROCESS IN A COMPLETELY MIXED BATCH REACTOR. (R825370C076)

EPA Science Inventory

A dynamic kinetic model for the advanced oxidation process (AOP) using hydrogen peroxide and ultraviolet irradiation (H₂O₂/UV) in a completely mixed batch reactor (CMBR) is developed. The model includes the known elementary chemical and photochemical reac...

Kinetics of thermal decomposition of hydrated minerals associated with hematite ore in a fluidized bed reactor

NASA Astrophysics Data System (ADS)

Beuria, P. C.; Biswal, S. K.; Mishra, B. K.; Roy, G. G.

2017-03-01

The kinetics of removal of loss on ignition (LOI) by thermal decomposition of hydrated minerals present in natural iron ores (i.e., kaolinite, gibbsite, and goethite) was investigated in a laboratory-scale vertical fluidized bed reactor (FBR) using isothermal methods of kinetic analysis. Experiments in the FBR in batch processes were carried out at different temperatures (300 to 1200°C) and residence time (1 to 30 min) for four different iron ore samples with various LOIs (2.34wt% to 9.83wt%). The operating velocity was maintained in the range from 1.2 to 1.4 times the minimum fluidization velocity ( U mf). We observed that, below a certain critical temperature, the FBR did not effectively reduce the LOI to a desired level even with increased residence time. The results of this study indicate that the LOI level could be reduced by 90% within 1 min of residence time at 1100°C. The kinetics for low-LOI samples (<6wt%) indicates two different reaction mechanisms in two temperature regimes. At lower temperatures (300 to 700°C), the kinetics is characterized by a lower activation energy (diffusion-controlled physical moisture removal), followed by a higher activation energy (chemically controlled removal of LOI). In the case of high-LOI samples, three different kinetics mechanisms prevail at different temperature regimes. At temperature up to 450°C, diffusion kinetics prevails (removal of physical moisture); at temperature from 450 to 650°C, chemical kinetics dominates during removal of matrix moisture. At temperatures greater than 650°C, nucleation and growth begins to influence the rate of removal of LOI.

Ozonation kinetics of winery wastewater in a pilot-scale bubble column reactor.

PubMed

Lucas, Marco S; Peres, José A; Lan, Bing Yan; Li Puma, Gianluca

2009-04-01

The degradation of organic substances present in winery wastewater was studied in a pilot-scale, bubble column ozonation reactor. A steady reduction of chemical oxygen demand (COD) was observed under the action of ozone at the natural pH of the wastewater (pH 4). At alkaline and neutral pH the degradation rate was accelerated by the formation of radical species from the decomposition of ozone. Furthermore, the reaction of hydrogen peroxide (formed from natural organic matter in the wastewater) and ozone enhances the oxidation capacity of the ozonation process. The monitoring of pH, redox potential (ORP), UV absorbance (254 nm), polyphenol content and ozone consumption was correlated with the oxidation of the organic species in the water. The ozonation of winery wastewater in the bubble column was analysed in terms of a mole balance coupled with ozonation kinetics modeled by the two-film theory of mass transfer and chemical reaction. It was determined that the ozonation reaction can develop both in and across different kinetic regimes: fast, moderate and slow, depending on the experimental conditions. The dynamic change of the rate coefficient estimated by the model was correlated with changes in the water composition and oxidant species.

Kinetic study of treatment of wastewater contains food preservative agent by anaerobic baffled reactor : An overview

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sumantri, Indro; Purwanto,; Budiyono

The characteristic of wastewater of food industries with preservative substances is high content of organic substances, degradable and high total suspended solid. High organic content in this waste forced the treatment is biologically and pointed out to anaerobic treatment. Anaerobic showed the better performance of degradation than aerobic for high content organic and also for toxic materials. During that day the treatment of food wastewater is aerobically which is high consume of energy required and high volume of sludge produced. The advantage of anaerobic is save high energy, less product of sludge, less requirement of nutrients of microorganism and highmore » efficiency reduction of organic load. The high efficiency of reduction will reduce the load of further treatment, so that, the threshold limit based on the regulation would be easy to achieve. Research of treatment of wastewater of food industries would be utilized by both big scale industries and small industries using addition of preservative substances. The type reactor of anaerobic process is anaerobic baffled reactor that will give better contact between wastewater and microorganism in the sludge. The variables conducted in this research are the baffled configuration, sludge height, preservative agent contents, hydralic retention time and influence of micro nutrients. The respons of this research are the COD effluent, remaining preservative agent, pH, formation of volatile fatty acid and total suspended solid. The result of this research is kinetic model of the anaerobic baffled reactor, reaction kinetic of preservative agent degradation and technology of treatment wastewater contains preservative agent. The benefit of this research is to solve the treatment of wastewater of food industries with preservative substance in order to achieve wastewater limit regulation and also to prevent the environmental deterioration.« less

Kinetic study of treatment of wastewater contains food preservative agent by anaerobic baffled reactor : An overview

NASA Astrophysics Data System (ADS)

Sumantri, Indro; Purwanto, Budiyono

2015-12-01

The characteristic of wastewater of food industries with preservative substances is high content of organic substances, degradable and high total suspended solid. High organic content in this waste forced the treatment is biologically and pointed out to anaerobic treatment. Anaerobic showed the better performance of degradation than aerobic for high content organic and also for toxic materials. During that day the treatment of food wastewater is aerobically which is high consume of energy required and high volume of sludge produced. The advantage of anaerobic is save high energy, less product of sludge, less requirement of nutrients of microorganism and high efficiency reduction of organic load. The high efficiency of reduction will reduce the load of further treatment, so that, the threshold limit based on the regulation would be easy to achieve. Research of treatment of wastewater of food industries would be utilized by both big scale industries and small industries using addition of preservative substances. The type reactor of anaerobic process is anaerobic baffled reactor that will give better contact between wastewater and microorganism in the sludge. The variables conducted in this research are the baffled configuration, sludge height, preservative agent contents, hydralic retention time and influence of micro nutrients. The respons of this research are the COD effluent, remaining preservative agent, pH, formation of volatile fatty acid and total suspended solid. The result of this research is kinetic model of the anaerobic baffled reactor, reaction kinetic of preservative agent degradation and technology of treatment wastewater contains preservative agent. The benefit of this research is to solve the treatment of wastewater of food industries with preservative substance in order to achieve wastewater limit regulation and also to prevent the environmental deterioration.

Reactor for in situ measurements of spatially resolved kinetic data in heterogeneous catalysis

NASA Astrophysics Data System (ADS)

Horn, R.; Korup, O.; Geske, M.; Zavyalova, U.; Oprea, I.; Schlögl, R.

2010-06-01

The present work describes a reactor that allows in situ measurements of spatially resolved kinetic data in heterogeneous catalysis. The reactor design allows measurements up to temperatures of 1300 °C and 45 bar pressure, i.e., conditions of industrial relevance. The reactor involves reactants flowing through a solid catalyst bed containing a sampling capillary with a side sampling orifice through which a small fraction of the reacting fluid (gas or liquid) is transferred into an analytical device (e.g., mass spectrometer, gas chromatograph, high pressure liquid chromatograph) for quantitative analysis. The sampling capillary can be moved with μm resolution in or against flow direction to measure species profiles through the catalyst bed. Rotation of the sampling capillary allows averaging over several scan lines. The position of the sampling orifice is such that the capillary channel through the catalyst bed remains always occupied by the capillary preventing flow disturbance and fluid bypassing. The second function of the sampling capillary is to provide a well which can accommodate temperature probes such as a thermocouple or a pyrometer fiber. If a thermocouple is inserted in the sampling capillary and aligned with the sampling orifice fluid temperature profiles can be measured. A pyrometer fiber can be used to measure the temperature profile of the solid catalyst bed. Spatial profile measurements are demonstrated for methane oxidation on Pt and methane oxidative coupling on Li/MgO, both catalysts supported on reticulated α -Al2O3 foam supports.

Integral Design Methodology of Photocatalytic Reactors for Air Pollution Remediation.

PubMed

Passalía, Claudio; Alfano, Orlando M; Brandi, Rodolfo J

2017-06-07

An integral reactor design methodology was developed to address the optimal design of photocatalytic wall reactors to be used in air pollution control. For a target pollutant to be eliminated from an air stream, the proposed methodology is initiated with a mechanistic derived reaction rate. The determination of intrinsic kinetic parameters is associated with the use of a simple geometry laboratory scale reactor, operation under kinetic control and a uniform incident radiation flux, which allows computing the local superficial rate of photon absorption. Thus, a simple model can describe the mass balance and a solution may be obtained. The kinetic parameters may be estimated by the combination of the mathematical model and the experimental results. The validated intrinsic kinetics obtained may be directly used in the scaling-up of any reactor configuration and size. The bench scale reactor may require the use of complex computational software to obtain the fields of velocity, radiation absorption and species concentration. The complete methodology was successfully applied to the elimination of airborne formaldehyde. The kinetic parameters were determined in a flat plate reactor, whilst a bench scale corrugated wall reactor was used to illustrate the scaling-up methodology. In addition, an optimal folding angle of the corrugated reactor was found using computational fluid dynamics tools.

First-order kinetics of landfill leachate treatment in a pilot-scale anaerobic sequence batch biofilm reactor.

PubMed

Contrera, Ronan Cleber; da Cruz Silva, Katia Cristina; Morita, Dione Mari; Domingues Rodrigues, José Alberto; Zaiat, Marcelo; Schalch, Valdir

2014-12-01

This paper reports the kinetics evaluation of landfill leachate anaerobic treatment in a pilot-scale Anaerobic Sequence Batch Biofilm Reactor (AnSBBR). The experiment was carried out at room temperature (23.8 ± 2.1 °C) in the landfill area in São Carlos-SP, Brazil. Biomass from the bottom of a local landfill leachate stabilization pond was used as inoculum. After acclimated and utilizing leachate directly from the landfill, the AnSBBR presented efficiency over 70%, in terms of COD removal, with influent COD ranging from 4825 mg L(-1) to 12,330 mg L(-1). To evaluate the kinetics of landfill leachate treatment, temporal profiles of CODFilt. concentration were performed and a first-order kinetics model was adjusted for substrate consumption, obtaining an average k1 = 4.40 × 10(-5) L mgTVS(-1) d(-1), corrected to 25 °C. Considering the temperature variations, a temperature-activity coefficient θ = 1.07 was obtained. Statistical "Randomness" and "F" tests were used to successfully validate the model considered. Thus, the results demonstrate that the first-order kinetic model is adequate to model the anaerobic treatment of the landfill leachate in the AnSBBR. Copyright © 2014 Elsevier Ltd. All rights reserved.

Neutron lifetimes behavior analysis considering the two-region kinetic model in the IPEN/MB-01 reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gonnelli, Eduardo; Diniz, Ricardo

2014-11-11

This is a complementary work about the behavior analysis of the neutron lifetimes that was developed in the IPEN/MB-01 nuclear reactor facility. The macroscopic neutron noise technique was experimentally employed using pulse mode detectors for two stages of control rods insertion, where a total of twenty levels of subcriticality have been carried out. It was also considered that the neutron reflector density was treated as an additional group of delayed neutrons, being a sophisticated approach in the two-region kinetic theoretical model.

On the interpretation of the inverted kinetics equation and space-time calculations of the effectiveness of the VVER-1000 reactor scram system

NASA Astrophysics Data System (ADS)

Zizin, M. N.; Ivanov, L. D.

2013-12-01

In the present paper, an attempt is made to analyze the accuracy of calculating the effectiveness of the VVER-1000 reactor scram system by means of the inverted solution of the kinetics equation (ISKE). In the numerical studies in the intellectual ShIPR software system, the actuation of the reactor scram system with the possible jamming of one of the two most effective rods is simulated. First, the connection of functionals calculated in the space-time computation in different approximations with the kinetics equation is considered on the theoretical level. The formulas are presented in a manner facilitating their coding. Then, the results of processing of several such functions by the ISKE are presented. For estimating the effectiveness of the VVER-1000 reactor scram system, it is proposed to use the measured currents of ionization chambers (IC) jointly with calculated readings of IC imitators. In addition, the integral of the delayed neutron (DN) generation rate multiplied by the adjoint DN source over the volume of the reactor, calculated for the instant of time when insertion of safety rods ends, is used. This integral is necessary for taking into account the spatial reactivity effects. Reasonable agreement was attained for the considered example between the effectiveness of the scram system evaluated by this method and the values obtained by steady-state calculations as the difference of the reciprocal effective multiplication factors with withdrawn and inserted control rods. This agreement was attained with the use of eight-group DN parameters.

Inhibition kinetics and granular sludge in an ANAMMOX reactor treating mature landfill leachate.

PubMed

Yun, Li; Zhaoming, Zheng; Jun, Li; Baihang, Zhao; Wei, Bian; Yanzhuo, Zhang; Xiujie, Wang

2016-12-01

The present study reports the inhibition kinetics and granular sludge in an anaerobic ammonium oxidation (ANAMMOX) - up-flow anaerobic sludge blanket reactor fed with diluted mature landfill leachate. The activity of ANAMMOX bacteria was inhibited by addition of mature landfill leachate, but gradually adapted to the leachate. The system achieved efficient nitrogen removal during 65-75 d and the average removal efficiencies for NH 4 + -N, NO 2 - -N and total nitrogen (TN) were 96%, 95% and 87%, respectively. ANAMMOX was the main pathway of nitrogen removal in the system, and heterotrophic denitrification occurred simultaneously. In addition, aerobic ammonia oxidation and aerobic nitrite oxidation were active in this system. Inhibition kinetic experiments showed that the NH 4 + -N and NO 2 - -N inhibition concentration threshold of ANAMMOX were 489.03 mg/L and 192.36 mg/L, respectively. ANAMMOX was significantly inhibited by mature landfill leachate, and was completely inhibited when the leachate concentration was 1,450.69 mg/L (calculated in chemical oxygen demand). Thus, the inhibition concentration of substrate and landfill leachate should be considered when applying the ANAMMOX process to landfill leachate. The color of granular sludge ANAMMOX changed from brick-red into a reddish-brown. The particle size increased from small to large, with evident granulation of the ANAMMOX sludge.

RNA–protein binding kinetics in an automated microfluidic reactor

PubMed Central

Ridgeway, William K.; Seitaridou, Effrosyni; Phillips, Rob; Williamson, James R.

2009-01-01

Microfluidic chips can automate biochemical assays on the nanoliter scale, which is of considerable utility for RNA–protein binding reactions that would otherwise require large quantities of proteins. Unfortunately, complex reactions involving multiple reactants cannot be prepared in current microfluidic mixer designs, nor is investigation of long-time scale reactions possible. Here, a microfluidic ‘Riboreactor’ has been designed and constructed to facilitate the study of kinetics of RNA–protein complex formation over long time scales. With computer automation, the reactor can prepare binding reactions from any combination of eight reagents, and is optimized to monitor long reaction times. By integrating a two-photon microscope into the microfluidic platform, 5-nl reactions can be observed for longer than 1000 s with single-molecule sensitivity and negligible photobleaching. Using the Riboreactor, RNA–protein binding reactions with a fragment of the bacterial 30S ribosome were prepared in a fully automated fashion and binding rates were consistent with rates obtained from conventional assays. The microfluidic chip successfully combines automation, low sample consumption, ultra-sensitive fluorescence detection and a high degree of reproducibility. The chip should be able to probe complex reaction networks describing the assembly of large multicomponent RNPs such as the ribosome. PMID:19759214

Growth kinetics of the photosynthetic bacterium Chlorobium thiosulfatophilum in a fed-batch reactor.

PubMed

Kim, B W; Chang, H N; Kim, I K; Lee, K S

1992-08-01

Hydrogen sulfide dissolved in water can be converted to elementary sulfur or sulfate by the photosynthetic bacterium Chlorobium thiosulfatophilum. Substrate inhibition occurred at sulfide concentrations above 5.7 mM. Light inhibition was found at average light intensities of 40,000 lux in a sulfide concentration of 5 mM, where no substrate inhibition occurred. Light intensity, the most important growth parameter, was attenuated through both scattering by sulfur particles and absorption by the cells. Average cell and sulfur particle sizes were 1.1 and 9.4 microm, respectively. Cells contributed 10 times as much to the turbidity as sulfur particles of the same weight concentration. The light attenuation factor was mathematically modeled, considering both the absorption and scattering effects based on the Beer-Lambert law and the Rayleigh theory, which were introduced to the cell growth model. Optimal operational conditions relating feed rate vs. light intensity were obtained to suppress the accumulation of sulfate and sulfide and save light energy for 2- and 4-L fed-batch reactors. Light intensity should be greater for the same performance (H(2)S removal rate/unit cell concentration) in larger reactors due to the scaleup effect on light transmission. Knowledge of appropriate growth kinetics in photosynthetic fed-batch reactors was essential to increase feed rate and light intensity and therefore cell growth. A mathematical model was developed that describes the cell growth by considering the light attenuation factor due to scattering and absorption and the crowding effect of the cells. This model was in good agreement with the experimental results. (c) 1992 John Wiley & Sons, Inc.

NASA-EPA automotive thermal reactor technology program

NASA Technical Reports Server (NTRS)

Blankenship, C. P.; Hibbard, R. R.

1972-01-01

The status of the NASA-EPA automotive thermal reactor technology program is summarized. This program is concerned primarily with materials evaluation, reactor design, and combustion kinetics. From engine dynamometer tests of candidate metals and coatings, two ferritic iron alloys (GE 1541 and Armco 18-SR) and a nickel-base alloy (Inconel 601) offer promise for reactor use. None of the coatings evaluated warrant further consideration. Development studies on a ceramic thermal reactor appear promising based on initial vehicle road tests. A chemical kinetic study has shown that gas temperatures of at least 900 K to 1000 K are required for the effective cleanup of carbon monoxide and hydrocarbons, but that higher temperatures require shorter combustion times and thus may permit smaller reactors.

Kinetic modeling of cellulosic biomass to ethanol via simultaneous saccharification and fermentation: Part I. Accommodation of intermittent feeding and analysis of staged reactors.

PubMed

Shao, Xiongjun; Lynd, Lee; Wyman, Charles; Bakker, André

2009-01-01

The model of South et al. [South et al. (1995) Enzyme Microb Technol 17(9): 797-803] for simultaneous saccharification of fermentation of cellulosic biomass is extended and modified to accommodate intermittent feeding of substrate and enzyme, cascade reactor configurations, and to be more computationally efficient. A dynamic enzyme adsorption model is found to be much more computationally efficient than the equilibrium model used previously, thus increasing the feasibility of incorporating the kinetic model in a computational fluid dynamic framework in the future. For continuous or discretely fed reactors, it is necessary to use particle conversion in conversion-dependent hydrolysis rate laws rather than reactor conversion. Whereas reactor conversion decreases due to both reaction and exit of particles from the reactor, particle conversion decreases due to reaction only. Using the modified models, it is predicted that cellulose conversion increases with decreasing feeding frequency (feedings per residence time, f). A computationally efficient strategy for modeling cascade reactors involving a modified rate constant is shown to give equivalent results relative to an exhaustive approach considering the distribution of particles in each successive fermenter.

Microbial ureolysis in the seawater-catalysed urine phosphorus recovery system: Kinetic study and reactor verification.

PubMed

Tang, Wen-Tao; Dai, Ji; Liu, Rulong; Chen, Guang-Hao

2015-12-15

Our previous study has confirmed the feasibility of using seawater as an economical precipitant for urine phosphorus (P) precipitation. However, we still understand very little about the ureolysis in the Seawater-based Urine Phosphorus Recovery (SUPR) system despite its being a crucial step for urine P recovery. In this study, batch experiments were conducted to investigate the kinetics of microbial ureolysis in the seawater-urine system. Indigenous bacteria from urine and seawater exhibited relatively low ureolytic activity, but they adapted quickly to the urine-seawater mixture during batch cultivation. During cultivation, both the abundance and specific ureolysis rate of the indigenous bacteria were greatly enhanced as confirmed by a biomass-dependent Michaelis-Menten model. The period for fully ureolysis was decreased from 180 h to 2.5 h after four cycles of cultivation. Based on the successful cultivation, a lab-scale SUPR reactor was set up to verify the fast ureolysis and efficient P recovery in the SUPR system. Nearly complete urine P removal was achieved in the reactor in 6 h without adding any chemicals. Terminal Restriction Fragment Length Polymorphism (TRFLP) analysis revealed that the predominant groups of bacteria in the SUPR reactor likely originated from seawater rather than urine. Moreover, batch tests confirmed the high ureolysis rates and high phosphorus removal efficiency induced by cultivated bacteria in the SUPR reactor under seawater-to-urine mixing ratios ranging from 1:1 to 9:1. This study has proved that the enrichment of indigenous bacteria in the SUPR system can lead to sufficient ureolytic activity for phosphate precipitation, thus providing an efficient and economical method for urine P recovery. Copyright © 2015 Elsevier Ltd. All rights reserved.

Using thermal balance model to determine optimal reactor volume and insulation material needed in a laboratory-scale composting reactor.

PubMed

Wang, Yongjiang; Pang, Li; Liu, Xinyu; Wang, Yuansheng; Zhou, Kexun; Luo, Fei

2016-04-01

A comprehensive model of thermal balance and degradation kinetics was developed to determine the optimal reactor volume and insulation material. Biological heat production and five channels of heat loss were considered in the thermal balance model for a representative reactor. Degradation kinetics was developed to make the model applicable to different types of substrates. Simulation of the model showed that the internal energy accumulation of compost was the significant heat loss channel, following by heat loss through reactor wall, and latent heat of water evaporation. Lower proportion of heat loss occurred through the reactor wall when the reactor volume was larger. Insulating materials with low densities and low conductive coefficients were more desirable for building small reactor systems. Model developed could be used to determine the optimal reactor volume and insulation material needed before the fabrication of a lab-scale composting system. Copyright © 2016 Elsevier Ltd. All rights reserved.

An induction reactor for studying crude-oil oxidation relevant to in situ combustion.

PubMed

Bazargan, Mohammad; Lapene, Alexandre; Chen, Bo; Castanier, Louis M; Kovscek, Anthony R

2013-07-01

In a conventional ramped temperature oxidation kinetics cell experiment, an electrical furnace is used to ramp temperature at a prescribed rate. Thus, the heating rate of a kinetics cell experiment is limited by furnace performance to heating rates of about 0.5-3 °C/min. A new reactor has been designed to overcome this limit. It uses an induction heating method to ramp temperature. Induction heating is fast and easily controlled. The new reactor covers heating rates from 1 to 30 °C/min. This is the first time that the oxidation profiles of a crude oil are available over such a wide range of heating rate. The results from an induction reactor and a conventional kinetics cell at roughly 2 °C/min are compared to illustrate consistency between the two reactors. The results at low heating rate are the same as the conventional kinetics cell. As presented in the paper, the new reactor couples well with the isoconversional method for interpretation of reaction kinetics.

Utilization of moving bed biofilm reactor for industrial wastewater treatment containing ethylene glycol: kinetic and performance study.

PubMed

Hassani, Amir Hessam; Borghei, Seyed Mehdi; Samadyar, Hassan; Ghanbari, Bastam

2014-01-01

One of the requirements for environmental engineering, which is currently being considered, is the removal of ethylene glycol (EG) as a hazardous environmental pollutant from industrial wastewater. Therefore, in a recent study, a moving bed biofilm reactor (MBBR) was applied at pilot scale to treat industrial effluents containing different concentrations of EG (600, 800, 1200, and 1800 mg L-1 ). The removal efficiency and kinetic analysis of the system were examined at different hydraulic retention times of 6, 8, 10, and 12 h as well as influent chemical oxygen demand (COD) ranged between values of 1000 and 3000mg L-1. In minimum and maximum COD Loadings, the MBBR showed 95.1% and 60.7% removal efficiencies, while 95.9% and 66.2% EG removal efficiencies were achieved in the lowest and highest EG concentrations. The results of the reactor modelling suggested compliance of the well-known modified Stover-Kincannon model with the system.

Beyond the classical kinetic model for chronic graphite oxidation by moisture in high temperature gas-cooled reactors

DOE PAGES

Contescu, Cristian I.; Mee, Robert W.; Lee, Yoonjo; ...

2017-11-03

Four grades of nuclear graphite with various microstructures were subjected to accelerated oxidation tests in helium with traces of moisture and hydrogen in order to evaluate the effects of chronic oxidation on graphite components in high temperature gas cooled reactors. Kinetic analysis showed that the Langmuir-Hinshelwood (LH) model cannot consistently reproduce all results. In particular, at high temperatures and water partial pressures oxidation was always faster than the LH model predicts, with stronger deviations for superfine grain graphite than for medium grain grades. It was also found empirically that the apparent reaction order for water has a sigmoid-type variation withmore » temperature which follows the integral Boltzmann distribution function. This suggests that the apparent activation with temperature of graphite reactive sites that causes deviations from the LH model is rooted in specific structural and electronic properties of surface sites on graphite. A semi-global kinetic model was proposed, whereby the classical LH model was modified with a temperature-dependent reaction order for water. The new Boltzmann-enhanced model (BLH) was shown to consistently predict experimental oxidation rates over large ranges of temperature (800-1100 oC) and partial pressures of water (3-1200 Pa) and hydrogen (0-300 Pa), not only for the four grades of graphite but also for the historic grade H-451. The BLH model offers as more reliable input for modeling the chemical environment effects during the life-time operation of new grades of graphite in advanced nuclear reactors operating at high and very high temperatures.« less

Beyond the classical kinetic model for chronic graphite oxidation by moisture in high temperature gas-cooled reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Contescu, Cristian I.; Mee, Robert W.; Lee, Yoonjo

Four grades of nuclear graphite with various microstructures were subjected to accelerated oxidation tests in helium with traces of moisture and hydrogen in order to evaluate the effects of chronic oxidation on graphite components in high temperature gas cooled reactors. Kinetic analysis showed that the Langmuir-Hinshelwood (LH) model cannot consistently reproduce all results. In particular, at high temperatures and water partial pressures oxidation was always faster than the LH model predicts, with stronger deviations for superfine grain graphite than for medium grain grades. It was also found empirically that the apparent reaction order for water has a sigmoid-type variation withmore » temperature which follows the integral Boltzmann distribution function. This suggests that the apparent activation with temperature of graphite reactive sites that causes deviations from the LH model is rooted in specific structural and electronic properties of surface sites on graphite. A semi-global kinetic model was proposed, whereby the classical LH model was modified with a temperature-dependent reaction order for water. The new Boltzmann-enhanced model (BLH) was shown to consistently predict experimental oxidation rates over large ranges of temperature (800-1100 oC) and partial pressures of water (3-1200 Pa) and hydrogen (0-300 Pa), not only for the four grades of graphite but also for the historic grade H-451. The BLH model offers as more reliable input for modeling the chemical environment effects during the life-time operation of new grades of graphite in advanced nuclear reactors operating at high and very high temperatures.« less

Controlled biomass formation and kinetics of toluene degradation in a bioscrubber and in a reactor with a periodically moved trickle-bed.

PubMed

Wübker, S M; Laurenzis, A; Werner, U; Friedrich, C

1997-08-20

The kinetics of degradation of toluene from a model waste gas and of biomass formation were examined in a bioscrubber operated under different nutrient limitations with a mixed culture. The applicability of the kinetics of continuous cultivation of the mixed culture was examined for a special trickle-bed reactor with a periodically moved filter bed. The efficiency of toluene elimination of the bioscrubber was 50 to 57% and depended on the toluene mass transfer as evident from a constant productivity of 0.026 g dry cell weight/L . h over the dilution rate. Under potassium limitation the biomass productivity was reduced by 60% to 0.011 g dry cell weight/L . h at a dilution rate of 0.013/h. Conversely, at low dilution rates the specific toluene degradation rates increased. Excess biomass in a trickle-bed reactor causes reduction of interfacial area and mass transfer, and increase in pressure drop. To avoid these disadvantages, the trickle-bed was moved periodically and biomass was removed with outflowing medium. The concentration of steady state biomass fixed on polyamide beads decreased hyperbolically with the dilution rate. Also, the efficiency of toluene degradation decreased from 72 to 56% with increasing dilution rate while the productivity increased. Potassium limitation generally caused a reduction in biomass, productivity, and yield while the specific degradation increased with dilution rate. This allowed the application of the principles of the chemostat to the trickle-bed reactor described here, for toluene degradation from waste gases. (c) 1997 John Wiley & Sons, Inc. Biotechnol Bioeng 55: 686-692, 1997.

KINETICS OF LOW SOURCE REACTOR STARTUPS. PART I

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hurwitz, H. Jr.; MacMillan, D.B.; Smith, J.H.

1962-06-01

Statistical fluctuntions of neutron populations in reactors are analyzed by means of an approximate theoretical model. Development of the model is given in detail; also included are extensive numerical results derived from its application to systems with time-dependent reactivity, namely, a reactor during start-up. The special relationships of fluctuations to safety considerations are discussed. (auth)

Removal of oxytetracycline (OTC) in a synthetic pharmaceutical wastewater by a sequential anaerobic multichamber bed reactor (AMCBR)/completely stirred tank reactor (CSTR) system: biodegradation and inhibition kinetics.

PubMed

Sponza, Delia Teresa; Çelebi, Hakan

2012-01-01

An anaerobic multichamber bed reactor (AMCBR) was effective in removing both molasses-chemical oxygen demand (COD), and the antibiotic oxytetracycline (OTC). The maximum COD and OTC removals were 99% in sequential AMCBR/completely stirred tank reactor (CSTR) at an OTC concentration of 300 mg L(-1). 51%, 29% and 9% of the total volatile fatty acid (TVFA) was composed of acetic, propionic acid and butyric acids, respectively. The OTC loading rates at between 22.22 and 133.33 g OTC m(-3) d(-1) improved the hydrolysis of molasses-COD (k), the maximum specific utilization of molasses-COD (k(mh)) and the maximum specific utilization rate of TVFA (k(TVFA)). The direct effect of high OTC loadings (155.56 and -177.78 g OTC m(-3) d(-1)) on acidogens and methanogens were evaluated with Haldane inhibition kinetic. A significant decrease of the Haldane inhibition constant was indicative of increases in toxicity at increasing loading rates. Copyright © 2011 Elsevier Ltd. All rights reserved.

Kinetics of nitrification in a fixed biofilm reactor using dewatered sludge-fly ash composite ceramic particle as a supporting medium.

PubMed

Lee, Mong-Chuan; Lin, Yen-Hui; Yu, Huang-Wei

2014-11-01

A mathematical model system was derived to describe the kinetics of ammonium nitrification in a fixed biofilm reactor using dewatered sludge-fly ash composite ceramic particle as a supporting medium. The model incorporates diffusive mass transport and Monod kinetics. The model was solved using a combination of the orthogonal collocation method and Gear's method. A batch test was conducted to observe the nitrification of ammonium-nitrogen ([Formula: see text]-N) and the growth of nitrifying biomass. The compositions of nitrifying bacterial community in the batch kinetic test were analyzed using PCR-DGGE method. The experimental results show that the most staining intensity abundance of bands occurred on day 2.75 with the highest biomass concentration of 46.5 mg/L. Chemostat kinetic tests were performed independently to evaluate the biokinetic parameters used in the model prediction. In the column test, the removal efficiency of [Formula: see text]-N was approximately 96 % while the concentration of suspended nitrifying biomass was approximately 16 mg VSS/L and model-predicted biofilm thickness reached up to 0.21 cm in the steady state. The profiles of denaturing gradient gel electrophoresis (DGGE) of different microbial communities demonstrated that indigenous nitrifying bacteria (Nitrospira and Nitrobacter) existed and were the dominant species in the fixed biofilm process.

Biodegradation of atrazine from wastewater using moving bed biofilm reactor under nitrate-reducing conditions: A kinetic study.

PubMed

Derakhshan, Zahra; Ehrampoush, Mohammad Hassan; Mahvi, Amir Hossein; Ghaneian, Mohammad Taghi; Mazloomi, Seyed Mohammad; Faramarzian, Mohammad; Dehghani, Mansooreh; Fallahzadeh, Hossein; Yousefinejad, Saeed; Berizi, Enayat; Bahrami, Shima

2018-04-15

In this study employed an anoxic moving bed biofilm reactor (AnMBBR) to evaluate the effects of hydraulic and toxic shocks on performance reactor. The results indicated a relatively good resistance of system against exercised shocks and its ability to return to steady-state conditions. In optimal conditions when there was the maximum rate of atrazine and soluble chemical oxygen demand (COD) removal were 74.82% and 99.29% respectively. Also, atrazine biodegradation rapidly declines in AnMBBR from 74% ± 0.05 in the presence of nitrate to 9.12% only 3 days after the nitrate was eliding from the influent. Coefficients kinetics was studied and the maximum atrazine removal rate was determined by modified Stover & Kincannon model (U max  = 9.87 g ATZ /m 3 d). Results showed that AnMBBR is feasible, easy, affordable, so suitable process for efficiently biodegrading toxic chlorinated organic compounds such as atrazine. Also, its removal mechanism in this system is co-metabolism. Copyright © 2018 Elsevier Ltd. All rights reserved.

THE EXPERIENCE IN THE UNITED STATES WITH REACTOR OPERATION AND REACTOR SAFEGUARDS

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCullough, C.R.

1958-10-31

Reactors are operating or planned at locations in the United States in cities, near cities, and at remote locations. There is a general pattern that the higher power reactors are not in, but fairly uear cities, and the testing reactors for more hazardous experiments are at remote locations. A great deal has been done on the theoretical and experimental study of importunt features of reactor design. The metal-water reaction is still a theoretical possibility but tests of fuel element burnout under conditions approaching reactor operation gave no reaction. It appears that nucleate boiling does not necessarily result in steam blanketingmore » and fuel melting. Much attention is being given to the calculation of core kinetics but it is being found that temperature, power, and void coefficients cannot be calculated with accuracy and experiments are required. Some surprises are found giving positive localized void coefficients. Possible oscillatory behavior of reactors is being given careful study. No dangerous oscillations have been found in operating reactors but osciliations hare appeared in experimeats. The design of control and safety systems varies wvith different constructors. The relation of control to the kinetic behavior of the reactor is being studied. The importance of sensing element locations in order to know actual local reactor power level is being recognized. The time constants of instrumentation as related to reactor kinetics are being studied. Pressure vessels for reactors are being designed and manufactured. Many of these are beyond any previous experience. The stress problem is being given careful study. The effect of radiation is being studied experimentally. The stress problems of piping and pressure vessels is a difficult design problem being met successfully in reactor plants. The proper organization and procedure for operation of reactors is being evolved for resourch, testing, and power reactors. The importance of written standards and

Catalytic wet oxidation of phenol in a trickle bed reactor over a Pt/TiO2 catalyst.

PubMed

Maugans, Clayton B; Akgerman, Aydin

2003-01-01

Catalytic wet oxidation of phenol was studied in a batch and a trickle bed reactor using 4.45% Pt/TiO2 catalyst in the temperature range 150-205 degrees C. Kinetic data were obtained from batch reactor studies and used to model the reaction kinetics for phenol disappearance and for total organic carbon disappearance. Trickle bed experiments were then performed to generate data from a heterogeneous flow reactor. Catalyst deactivation was observed in the trickle bed reactor, although the exact cause was not determined. Deactivation was observed to linearly increase with the cumulative amount of phenol that had passed over the catalyst bed. Trickle bed reactor modeling was performed using a three-phase heterogeneous model. Model parameters were determined from literature correlations, batch derived kinetic data, and trickle bed derived catalyst deactivation data. The model equations were solved using orthogonal collocations on finite elements. Trickle bed performance was successfully predicted using the batch derived kinetic model and the three-phase reactor model. Thus, using the kinetics determined from limited data in the batch mode, it is possible to predict continuous flow multiphase reactor performance.

Kinetics of devolatilization and oxidation of a pulverized biomass in an entrained flow reactor under realistic combustion conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jimenez, Santiago; Remacha, Pilar; Ballester, Javier

2008-03-15

In this paper the results of a complete set of devolatilization and combustion experiments performed with pulverized ({proportional_to}500 {mu}m) biomass in an entrained flow reactor under realistic combustion conditions are presented. The data obtained are used to derive the kinetic parameters that best fit the observed behaviors, according to a simple model of particle combustion (one-step devolatilization, apparent oxidation kinetics, thermally thin particles). The model is found to adequately reproduce the experimental trends regarding both volatile release and char oxidation rates for the range of particle sizes and combustion conditions explored. The experimental and numerical procedures, similar to those recentlymore » proposed for the combustion of pulverized coal [J. Ballester, S. Jimenez, Combust. Flame 142 (2005) 210-222], have been designed to derive the parameters required for the analysis of biomass combustion in practical pulverized fuel configurations and allow a reliable characterization of any finely pulverized biomass. Additionally, the results of a limited study on the release rate of nitrogen from the biomass particle along combustion are shown. (author)« less

Performance, kinetic, and biodegradation pathway evaluation of anaerobic fixed film fixed bed reactor in removing phthalic acid esters from wastewater

NASA Astrophysics Data System (ADS)

Ahmadi, Ehsan; Yousefzadeh, Samira; Ansari, Mohsen; Ghaffari, Hamid Reza; Azari, Ali; Miri, Mohammad; Mesdaghinia, Alireza; Nabizadeh, Ramin; Kakavandi, Babak; Ahmadi, Peyman; Badi, Mojtaba Yegane; Gholami, Mitra; Sharafi, Kiomars; Karimaei, Mostafa; Ghoochani, Mahboobeh; Brahmand, Masoud Binesh; Mohseni, Seyed Mohsen; Sarkhosh, Maryam; Rezaei, Soheila; Asgharnia, Hosseinali; Dehghanifard, Emad; Jafari, Behdad; Mortezapour, Alireza; Moghaddam, Vahid Kazemi; Mahmoudi, Mohammad Molla; Taghipour, Nader

2017-02-01

Emerging and hazardous environmental pollutants like phthalic acid esters (PAEs) are one of the recent concerns worldwide. PAEs are considered to have diverse endocrine disrupting effects on human health. Industrial wastewater has been reported as an important environment with high concentrations of PAEs. In the present study, four short-chain PAEs including diallyl phthalate (DAP), diethyl phthalate (DEP), dimethyl phthalate (DMP), and phthalic acid (PA) were selected as a substrate for anaerobic fixed film fixed bed reactor (AnFFFBR). The process performances of AnFFFBR, and also its kinetic behavior, were evaluated to find the best eco-friendly phthalate from the biodegradability point of view. According to the results and kinetic coefficients, removing and mineralizing of DMP occurred at a higher rate than other phthalates. In optimum conditions 92.5, 84.41, and 80.39% of DMP, COD, and TOC were removed. DAP was found as the most bio-refractory phthalate. The second-order (Grau) model was selected as the best model for describing phthalates removal.

Performance, kinetic, and biodegradation pathway evaluation of anaerobic fixed film fixed bed reactor in removing phthalic acid esters from wastewater.

PubMed

Ahmadi, Ehsan; Yousefzadeh, Samira; Ansari, Mohsen; Ghaffari, Hamid Reza; Azari, Ali; Miri, Mohammad; Mesdaghinia, Alireza; Nabizadeh, Ramin; Kakavandi, Babak; Ahmadi, Peyman; Badi, Mojtaba Yegane; Gholami, Mitra; Sharafi, Kiomars; Karimaei, Mostafa; Ghoochani, Mahboobeh; Brahmand, Masoud Binesh; Mohseni, Seyed Mohsen; Sarkhosh, Maryam; Rezaei, Soheila; Asgharnia, Hosseinali; Dehghanifard, Emad; Jafari, Behdad; Mortezapour, Alireza; Moghaddam, Vahid Kazemi; Mahmoudi, Mohammad Molla; Taghipour, Nader

2017-02-20

Emerging and hazardous environmental pollutants like phthalic acid esters (PAEs) are one of the recent concerns worldwide. PAEs are considered to have diverse endocrine disrupting effects on human health. Industrial wastewater has been reported as an important environment with high concentrations of PAEs. In the present study, four short-chain PAEs including diallyl phthalate (DAP), diethyl phthalate (DEP), dimethyl phthalate (DMP), and phthalic acid (PA) were selected as a substrate for anaerobic fixed film fixed bed reactor (AnFFFBR). The process performances of AnFFFBR, and also its kinetic behavior, were evaluated to find the best eco-friendly phthalate from the biodegradability point of view. According to the results and kinetic coefficients, removing and mineralizing of DMP occurred at a higher rate than other phthalates. In optimum conditions 92.5, 84.41, and 80.39% of DMP, COD, and TOC were removed. DAP was found as the most bio-refractory phthalate. The second-order (Grau) model was selected as the best model for describing phthalates removal.

Degradation of pharmaceuticals in UV (LP)/H₂O₂ reactors simulated by means of kinetic modeling and computational fluid dynamics (CFD).

PubMed

Wols, B A; Harmsen, D J H; Wanders-Dijk, J; Beerendonk, E F; Hofman-Caris, C H M

2015-05-15

UV/H2O2 treatment is a well-established technique to degrade organic micropollutants. A CFD model in combination with an advanced kinetic model is presented to predict the degradation of organic micropollutants in UV (LP)/H2O2 reactors, accounting for the hydraulics, fluence rate, complex (photo)chemical reactions in the water matrix and the interactions between these processes. The model incorporates compound degradation by means of direct UV photolysis, OH radical and carbonate radical reactions. Measurements of pharmaceutical degradations in pilot-scale UV/H2O2 reactors are presented under different operating conditions. A comparison between measured and modeled degradation for a group of 35 pharmaceuticals resulted in good model predictions for most of the compounds. The research also shows that the degradation of organic micropollutants can be dependent on temperature, which is relevant for full-scale installations that are operated at different temperatures over the year. Copyright © 2015 Elsevier Ltd. All rights reserved.

Kinetics of Ethyl Acetate Synthesis Catalyzed by Acidic Resins

ERIC Educational Resources Information Center

Antunes, Bruno M.; Cardoso, Simao P.; Silva, Carlos M.; Portugal, Ines

2011-01-01

A low-cost experiment to carry out the second-order reversible reaction of acetic acid esterification with ethanol to produce ethyl acetate is presented to illustrate concepts of kinetics and reactor modeling. The reaction is performed in a batch reactor, and the acetic acid concentration is measured by acid-base titration versus time. The…

A CFD model for biomass fast pyrolysis in fluidized-bed reactors

NASA Astrophysics Data System (ADS)

Xue, Qingluan; Heindel, T. J.; Fox, R. O.

2010-11-01

A numerical study is conducted to evaluate the performance and optimal operating conditions of fluidized-bed reactors for fast pyrolysis of biomass to bio-oil. A comprehensive CFD model, coupling a pyrolysis kinetic model with a detailed hydrodynamics model, is developed. A lumped kinetic model is applied to describe the pyrolysis of biomass particles. Variable particle porosity is used to account for the evolution of particle physical properties. The kinetic scheme includes primary decomposition and secondary cracking of tar. Biomass is composed of reference components: cellulose, hemicellulose, and lignin. Products are categorized into groups: gaseous, tar vapor, and solid char. The particle kinetic processes and their interaction with the reactive gas phase are modeled with a multi-fluid model derived from the kinetic theory of granular flow. The gas, sand and biomass constitute three continuum phases coupled by the interphase source terms. The model is applied to investigate the effect of operating conditions on the tar yield in a fluidized-bed reactor. The influence of various parameters on tar yield, including operating temperature and others are investigated. Predicted optimal conditions for tar yield and scale-up of the reactor are discussed.

Heat Pipe Reactor Dynamic Response Tests: SAFE-100 Reactor Core Prototype

NASA Technical Reports Server (NTRS)

Bragg-Sitton, Shannon M.

2005-01-01

The SAFE-I00a test article at the NASA Marshall Space Flight Center was used to simulate a variety of potential reactor transients; the SAFEl00a is a resistively heated, stainless-steel heat-pipe (HP)-reactor core segment, coupled to a gas-flow heat exchanger (HX). For these transients the core power was controlled by a point kinetics model with reactivity feedback based on core average temperature; the neutron generation time and the temperature feedback coefficient are provided as model inputs. This type of non-nuclear test is expected to provide reasonable approximation of reactor transient behavior because reactivity feedback is very simple in a compact fast reactor (simple, negative, and relatively monotonic temperature feedback, caused mostly by thermal expansion) and calculations show there are no significant reactivity effects associated with fluid in the HP (the worth of the entire inventory of Na in the core is .kinetics model was based on core thermal expansion via deflection measurements. It was found that core deflection was a strung function of how the SAFE-100 modules were fabricated and assembled (in terms of straightness, gaps, and other tolerances). To remove the added variable of how this particular core expands as compared to a different concept, it was decided to use a temperature based feedback model (based on several thermocouples placed throughout the core).

Enzyme reactor design under thermal inactivation.

PubMed

Illanes, Andrés; Wilson, Lorena

2003-01-01

Temperature is a very relevant variable for any bioprocess. Temperature optimization of bioreactor operation is a key aspect for process economics. This is especially true for enzyme-catalyzed processes, because enzymes are complex, unstable catalysts whose technological potential relies on their operational stability. Enzyme reactor design is presented with a special emphasis on the effect of thermal inactivation. Enzyme thermal inactivation is a very complex process from a mechanistic point of view. However, for the purpose of enzyme reactor design, it has been oversimplified frequently, considering one-stage first-order kinetics of inactivation and data gathered under nonreactive conditions that poorly represent the actual conditions within the reactor. More complex mechanisms are frequent, especially in the case of immobilized enzymes, and most important is the effect of catalytic modulators (substrates and products) on enzyme stability under operation conditions. This review focuses primarily on reactor design and operation under modulated thermal inactivation. It also presents a scheme for bioreactor temperature optimization, based on validated temperature-explicit functions for all the kinetic and inactivation parameters involved. More conventional enzyme reactor design is presented merely as a background for the purpose of highlighting the need for a deeper insight into enzyme inactivation for proper bioreactor design.

Updated Chemical Kinetics and Sensitivity Analysis Code

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan

2005-01-01

An updated version of the General Chemical Kinetics and Sensitivity Analysis (LSENS) computer code has become available. A prior version of LSENS was described in "Program Helps to Determine Chemical-Reaction Mechanisms" (LEW-15758), NASA Tech Briefs, Vol. 19, No. 5 (May 1995), page 66. To recapitulate: LSENS solves complex, homogeneous, gas-phase, chemical-kinetics problems (e.g., combustion of fuels) that are represented by sets of many coupled, nonlinear, first-order ordinary differential equations. LSENS has been designed for flexibility, convenience, and computational efficiency. The present version of LSENS incorporates mathematical models for (1) a static system; (2) steady, one-dimensional inviscid flow; (3) reaction behind an incident shock wave, including boundary layer correction; (4) a perfectly stirred reactor; and (5) a perfectly stirred reactor followed by a plug-flow reactor. In addition, LSENS can compute equilibrium properties for the following assigned states: enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. For static and one-dimensional-flow problems, including those behind an incident shock wave and following a perfectly stirred reactor calculation, LSENS can compute sensitivity coefficients of dependent variables and their derivatives, with respect to the initial values of dependent variables and/or the rate-coefficient parameters of the chemical reactions.

Optimization of the moving-bed biofilm sequencing batch reactor (MBSBR) to control aeration time by kinetic computational modeling: Simulated sugar-industry wastewater treatment.

PubMed

Faridnasr, Maryam; Ghanbari, Bastam; Sassani, Ardavan

2016-05-01

A novel approach was applied for optimization of a moving-bed biofilm sequencing batch reactor (MBSBR) to treat sugar-industry wastewater (BOD5=500-2500 and COD=750-3750 mg/L) at 2-4 h of cycle time (CT). Although the experimental data showed that MBSBR reached high BOD5 and COD removal performances, it failed to achieve the standard limits at the mentioned CTs. Thus, optimization of the reactor was rendered by kinetic computational modeling and using statistical error indicator normalized root mean square error (NRMSE). The results of NRMSE revealed that Stover-Kincannon (error=6.40%) and Grau (error=6.15%) models provide better fits to the experimental data and may be used for CT optimization in the reactor. The models predicted required CTs of 4.5, 6.5, 7 and 7.5 h for effluent standardization of 500, 1000, 1500 and 2500 mg/L influent BOD5 concentrations, respectively. Similar pattern of the experimental data also confirmed these findings. Copyright © 2016 Elsevier Ltd. All rights reserved.

Ceramic membrane microfilter as an immobilized enzyme reactor.

PubMed

Harrington, T J; Gainer, J L; Kirwan, D J

1992-10-01

This study investigated the use of a ceramic microfilter as an immobilized enzyme reactor. In this type of reactor, the substrate solution permeates the ceramic membrane and reacts with an enzyme that has been immobilized within its porous interior. The objective of this study was to examine the effect of permeation rate on the observed kinetic parameters for the immobilized enzyme in order to assess possible mass transfer influences or shear effects. Kinetic parameters were found to be independent of flow rate for immobilized penicillinase and lactate dehydrogenase. Therefore, neither mass transfer nor shear effects were observed for enzymes immobilized within the ceramic membrane. Both the residence time and the conversion in the microfilter reactor could be controlled simply by regulating the transmembrane pressure drop. This study suggests that a ceramic microfilter reactor can be a desirable alternative to a packed bed of porous particles, especially when an immobilized enzyme has high activity and a low Michaelis constant.

Evaluation of the effectiveness factor along immobilized enzyme fixed-bed reactors: design of a reactor with naringinase covalently immobilized into glycophase-coated porous glass

DOE Office of Scientific and Technical Information (OSTI.GOV)

Manjon, A.; Iborra, J.L.; Gomez, J.L.

A design equation is presented for packed-bed reactors containing immobilized enzymes in spherical porous particles with internal diffusion effects and obeying reversible one-intermediate Michaelis-Menten kinetics. The equation is also able to explain irreversible and competitive product inhibition kinetics. It allows the axial substrate profiles to be calculated and the dependence of the effectiveness factor along the reactor length to be continuously evaluated. The design equation was applied to explain the behavior of naringinase immobilized in Glycophase-coated porous glass operating in a packed-bed reactor and hydrolyzing both p-nitrophenyl-alpha-L-rhamnoside and naringin. The theoretically predicted results were found to fit well with experimentallymore » measured values. (Refs. 28).« less

Kinetics of resid hydrodesulfurization reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mohammed, A.H.A.K.; Abbas, A.A.A.; Al'-Maiya, A.S.K.

1987-07-01

In this article the authors examine the results obtained in hydrodesulfurizing an atmospheric resis from Bai-Hassan crude on Ni-Mo/Al/sub 2/O/sub 3/ catalyst at 320-420/sup 0/C, feedstock space velocity 0.37-2.6 h/sup -1/, pressure 6.1 MPa, and hydrogen/feed ratio 300 liters/liter, in a single-pass downflow reactor with a stationary bed of catalyst. Also, they give certain thermodynamic characteristics for desulfurization, demetalization, and deasphalting of this resid. The kinetic model describing most accurately the kinetics of the different reactions will be examined.

Performance, kinetic, and biodegradation pathway evaluation of anaerobic fixed film fixed bed reactor in removing phthalic acid esters from wastewater

PubMed Central

Ahmadi, Ehsan; Yousefzadeh, Samira; Ansari, Mohsen; Ghaffari, Hamid Reza; Azari, Ali; Miri, Mohammad; Mesdaghinia, Alireza; Nabizadeh, Ramin; Kakavandi, Babak; Ahmadi, Peyman; Badi, Mojtaba Yegane; Gholami, Mitra; Sharafi, Kiomars; Karimaei, Mostafa; Ghoochani, Mahboobeh; Brahmand, Masoud Binesh; Mohseni, Seyed Mohsen; Sarkhosh, Maryam; Rezaei, Soheila; Asgharnia, Hosseinali; Dehghanifard, Emad; Jafari, Behdad; Mortezapour, Alireza; Moghaddam, Vahid Kazemi; Mahmoudi, Mohammad Molla; Taghipour, Nader

2017-01-01

Emerging and hazardous environmental pollutants like phthalic acid esters (PAEs) are one of the recent concerns worldwide. PAEs are considered to have diverse endocrine disrupting effects on human health. Industrial wastewater has been reported as an important environment with high concentrations of PAEs. In the present study, four short-chain PAEs including diallyl phthalate (DAP), diethyl phthalate (DEP), dimethyl phthalate (DMP), and phthalic acid (PA) were selected as a substrate for anaerobic fixed film fixed bed reactor (AnFFFBR). The process performances of AnFFFBR, and also its kinetic behavior, were evaluated to find the best eco-friendly phthalate from the biodegradability point of view. According to the results and kinetic coefficients, removing and mineralizing of DMP occurred at a higher rate than other phthalates. In optimum conditions 92.5, 84.41, and 80.39% of DMP, COD, and TOC were removed. DAP was found as the most bio-refractory phthalate. The second-order (Grau) model was selected as the best model for describing phthalates removal. PMID:28216654

Waste tyre pyrolysis: modelling of a moving bed reactor.

PubMed

Aylón, E; Fernández-Colino, A; Murillo, R; Grasa, G; Navarro, M V; García, T; Mastral, A M

2010-12-01

This paper describes the development of a new model for waste tyre pyrolysis in a moving bed reactor. This model comprises three different sub-models: a kinetic sub-model that predicts solid conversion in terms of reaction time and temperature, a heat transfer sub-model that calculates the temperature profile inside the particle and the energy flux from the surroundings to the tyre particles and, finally, a hydrodynamic model that predicts the solid flow pattern inside the reactor. These three sub-models have been integrated in order to develop a comprehensive reactor model. Experimental results were obtained in a continuous moving bed reactor and used to validate model predictions, with good approximation achieved between the experimental and simulated results. In addition, a parametric study of the model was carried out, which showed that tyre particle heating is clearly faster than average particle residence time inside the reactor. Therefore, this fast particle heating together with fast reaction kinetics enables total solid conversion to be achieved in this system in accordance with the predictive model. Copyright © 2010 Elsevier Ltd. All rights reserved.

Nuclear Engineering Computer Modules: Reactor Dynamics, RD-1 and RD-2.

ERIC Educational Resources Information Center

Onega, Ronald J.

The objective of the Reactor Dynamics Module, RD-1, is to obtain the kinetics equation without feedback and solve the kinetics equations numerically for one to six delayed neutron groups for time varying reactivity insertions. The computer code FUMOKI (Fundamental Mode Kinetics) will calculate the power as a function of time for either uranium or…

Enzymatic synthesis of farnesyl laurate in organic solvent: initial water activity, kinetics mechanism, optimization of continuous operation using packed bed reactor and mass transfer studies.

PubMed

Rahman, N K; Kamaruddin, A H; Uzir, M H

2011-08-01

The influence of water activity and water content was investigated with farnesyl laurate synthesis catalyzed by Lipozyme RM IM. Lipozyme RM IM activity depended strongly on initial water activity value. The best results were achieved for a reaction medium with an initial water activity of 0.11 since it gives the best conversion value of 96.80%. The rate constants obtained in the kinetics study using Ping-Pong-Bi-Bi and Ordered-Bi-Bi mechanisms with dead-end complex inhibition of lauric acid were compared. The corresponding parameters were found to obey the Ordered-Bi-Bi mechanism with dead-end complex inhibition of lauric acid. Kinetic parameters were calculated based on this model as follows: V (max) = 5.80 mmol l(-1) min(-1) g enzyme(-1), K (m,A) = 0.70 mmol l(-1) g enzyme(-1), K (m,B) = 115.48 mmol l(-1) g enzyme(-1), K (i) = 11.25 mmol l(-1) g enzyme(-1). The optimum conditions for the esterification of farnesol with lauric acid in a continuous packed bed reactor were found as the following: 18.18 cm packed bed height and 0.9 ml/min substrate flow rate. The optimum molar conversion of lauric acid to farnesyl laurate was 98.07 ± 0.82%. The effect of mass transfer in the packed bed reactor has also been studied using two models for cases of reaction limited and mass transfer limited. A very good agreement between the mass transfer limited model and the experimental data obtained indicating that the esterification in a packed bed reactor was mass transfer limited.

The Simulator Development for RDE Reactor

NASA Astrophysics Data System (ADS)

Subekti, Muhammad; Bakhri, Syaiful; Sunaryo, Geni Rina

2018-02-01

BATAN is proposing the construction of experimental power reactor (RDE reactor) for increasing the public acceptance on NPP development plan, proofing the safety level of the most advanced reactor by performing safety demonstration on the accidents such as Chernobyl and Fukushima, and owning the generation fourth (G4) reactor technology. For owning the reactor technology, the one of research activities is RDE’s simulator development that employing standard equation. The development utilizes standard point kinetic and thermal equation. The examination of the simulator carried out comparison in which the simulation’s calculation result has good agreement with assumed parameters and ChemCAD calculation results. The transient simulation describes the characteristic of the simulator to respond the variation of power increase of 1.5%/min, 2.5%/min, and 3.5%/min.

Influence of mass transfer resistance on overall nitrate removal rate in upflow sludge bed reactors.

PubMed

Ting, Wen-Huei; Huang, Ju-Sheng

2006-09-01

A kinetic model with intrinsic reaction kinetics and a simplified model with apparent reaction kinetics for denitrification in upflow sludge bed (USB) reactors were proposed. USB-reactor performance data with and without sludge wasting were also obtained for model verification. An independent batch study showed that the apparent kinetic constants k' did not differ from the intrinsic k but the apparent Ks' was significantly larger than the intrinsic Ks suggesting that the intra-granule mass transfer resistance can be modeled by changes in Ks. Calculations of the overall effectiveness factor, Thiele modulus, and Biot number combined with parametric sensitivity analysis showed that the influence of internal mass transfer resistance on the overall nitrate removal rate in USB reactors is more significant than the external mass transfer resistance. The simulated residual nitrate concentrations using the simplified model were in good agreement with the experimental data; the simulated results using the simplified model were also close to those using the kinetic model. Accordingly, the simplified model adequately described the overall nitrate removal rate and can be used for process design.

Simulated sugar factory wastewater remediation kinetics using algal-bacterial raceway reactor promoted by polyacrylate polyalcohol.

PubMed

Memon, Abdul Rehman; Andresen, John; Habib, Muddasar; Jaffar, Muhammad

2014-04-01

The remediation kinetics of simulated sugar factory wastewater (SFW) using an algal-bacterial culture (ABC) of Chlorella vulgaris in association with Pseudomonas putida in a raceway reactor was found to be enhanced by 89% with the addition of 80ppm of copolymer Polyacrylate polyalcohol (PAPA). This was achieved by efficient suspension of the ABC throughout the water body maintaining optimum pH and dissolved oxygen that led to rapid COD removal and improved algal biomass production. The suspension of the ABC using the co-polymer PAPA maintained a DO of 8-10mgl(-1) compared to 2-3mgl(-1) when not suspended. As a result, the non-suspended ABC only achieved a 50% reduction in COD after 96h compared to a 89% COD removal using 80ppm PAPA suspension. In addition, the algae biomass increased from 0.4gl(-1)d(-1) for the non-suspended ABC to 1.1gl(-1)d(-1) when suspended using 80ppm PAPA. Copyright © 2014 Elsevier Ltd. All rights reserved.

Oxidation Kinetics of Ferritic Alloys in High-Temperature Steam Environments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Parker, Stephen S.; White, Josh; Hosemann, Peter

High-temperature isothermal steam oxidation kinetic parameters of several ferritic alloys were determined by thermogravimetric analysis. We measured the oxidation kinetic constant (k) as a function of temperature from 900°C to 1200°C. The results show a marked increase in oxidation resistance compared to reference Zircaloy-2, with kinetic constants 3–5 orders of magnitude lower across the experimental temperature range. Our results of this investigation supplement previous findings on the properties of ferritic alloys for use as candidate cladding materials and extend kinetic parameter measurements to high-temperature steam environments suitable for assessing accident tolerance for light water reactor applications.

Oxidation Kinetics of Ferritic Alloys in High-Temperature Steam Environments

DOE PAGES

Parker, Stephen S.; White, Josh; Hosemann, Peter; ...

2017-11-03

High-temperature isothermal steam oxidation kinetic parameters of several ferritic alloys were determined by thermogravimetric analysis. We measured the oxidation kinetic constant (k) as a function of temperature from 900°C to 1200°C. The results show a marked increase in oxidation resistance compared to reference Zircaloy-2, with kinetic constants 3–5 orders of magnitude lower across the experimental temperature range. Our results of this investigation supplement previous findings on the properties of ferritic alloys for use as candidate cladding materials and extend kinetic parameter measurements to high-temperature steam environments suitable for assessing accident tolerance for light water reactor applications.

Oxidation Kinetics of Ferritic Alloys in High-Temperature Steam Environments

NASA Astrophysics Data System (ADS)

Parker, Stephen S.; White, Josh; Hosemann, Peter; Nelson, Andrew

2018-02-01

High-temperature isothermal steam oxidation kinetic parameters of several ferritic alloys were determined by thermogravimetric analysis. The oxidation kinetic constant ( k) was measured as a function of temperature from 900°C to 1200°C. The results show a marked increase in oxidation resistance compared to reference Zircaloy-2, with kinetic constants 3-5 orders of magnitude lower across the experimental temperature range. The results of this investigation supplement previous findings on the properties of ferritic alloys for use as candidate cladding materials and extend kinetic parameter measurements to high-temperature steam environments suitable for assessing accident tolerance for light water reactor applications.

Kinetic modelling of anaerobic hydrolysis of solid wastes, including disintegration processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

García-Gen, Santiago; Sousbie, Philippe; Rangaraj, Ganesh

2015-01-15

Highlights: • Fractionation of solid wastes into readily and slowly biodegradable fractions. • Kinetic coefficients estimation from mono-digestion batch assays. • Validation of kinetic coefficients with a co-digestion continuous experiment. • Simulation of batch and continuous experiments with an ADM1-based model. - Abstract: A methodology to estimate disintegration and hydrolysis kinetic parameters of solid wastes and validate an ADM1-based anaerobic co-digestion model is presented. Kinetic parameters of the model were calibrated from batch reactor experiments treating individually fruit and vegetable wastes (among other residues) following a new protocol for batch tests. In addition, decoupled disintegration kinetics for readily and slowlymore » biodegradable fractions of solid wastes was considered. Calibrated parameters from batch assays of individual substrates were used to validate the model for a semi-continuous co-digestion operation treating simultaneously 5 fruit and vegetable wastes. The semi-continuous experiment was carried out in a lab-scale CSTR reactor for 15 weeks at organic loading rate ranging between 2.0 and 4.7 g VS/L d. The model (built in Matlab/Simulink) fit to a large extent the experimental results in both batch and semi-continuous mode and served as a powerful tool to simulate the digestion or co-digestion of solid wastes.« less

Degradation of aqueous phenol solutions by coaxial DBD reactor

NASA Astrophysics Data System (ADS)

Dojcinovic, B. P.; Manojlovic, D.; Roglic, G. M.; Obradovic, B. M.; Kuraica, M. M.; Puric, J.

2008-07-01

Solutions of 2-chlorophenol, 4-chlorophenol and 2,6-dichlorophenol in bidistilled and water from the river Danube were treated in plasma reactor. In this reactor, based on coaxial dielectric barrier discharge at atmospheric pressure, plasma is formed over a thin layer of treated water. After one pass through the reactor, starting chlorophenols concentration of 20 mg/l was diminished up to 95 %. Kinetics of the chlorophenols degradation was monitored by High Pressure Liquid Chromatography method (HPLC).

Basic dye decomposition kinetics in a photocatalytic slurry reactor.

PubMed

Wu, Chun-Hsing; Chang, Hung-Wei; Chern, Jia-Ming

2006-09-01

Wastewater effluent from textile plants using various dyes is one of the major water pollutants to the environment. Traditional chemical, physical and biological processes for treating textile dye wastewaters have disadvantages such as high cost, energy waste and generating secondary pollution during the treatment process. The photocatalytic process using TiO2 semiconductor particles under UV light illumination has been shown to be potentially advantageous and applicable in the treatment of wastewater pollutants. In this study, the dye decomposition kinetics by nano-size TiO2 suspension at natural solution pH was experimentally studied by varying the agitation speed (50-200 rpm), TiO2 suspension concentration (0.25-1.71 g/L), initial dye concentration (10-50 ppm), temperature (10-50 degrees C), and UV power intensity (0-96 W). The experimental results show the agitation speed, varying from 50 to 200 rpm, has a slight influence on the dye decomposition rate and the pH history; the dye decomposition rate increases with the TiO2 suspension concentration up to 0.98 g/L, then decrease with increasing TiO2 suspension concentration; the initial dye decomposition rate increases with the initial dye concentration up to a certain value depending upon the temperature, then decreases with increasing initial dye concentration; the dye decomposition rate increases with the UV power intensity up to 64 W to reach a plateau. Kinetic models have been developed to fit the experimental kinetic data well.

Modeling and simulation of CANDU reactor and its regulating system

NASA Astrophysics Data System (ADS)

Javidnia, Hooman

Analytical computer codes are indispensable tools in design, optimization, and control of nuclear power plants. Numerous codes have been developed to perform different types of analyses related to the nuclear power plants. A large number of these codes are designed to perform safety analyses. In the context of safety analyses, the control system is often neglected. Although there are good reasons for such a decision, that does not mean that the study of control systems in the nuclear power plants should be neglected altogether. In this thesis, a proof of concept code is developed as a tool that can be used in the design. optimization. and operation stages of the control system. The main objective in the design of this computer code is providing a tool that is easy to use by its target audience and is capable of producing high fidelity results that can be trusted to design the control system and optimize its performance. Since the overall plant control system covers a very wide range of processes, in this thesis the focus has been on one particular module of the the overall plant control system, namely, the reactor regulating system. The center of the reactor regulating system is the CANDU reactor. A nodal model for the reactor is used to represent the spatial neutronic kinetics of the core. The nodal model produces better results compared to the point kinetics model which is often used in the design and analysis of control system for nuclear reactors. The model can capture the spatial effects to some extent. although it is not as detailed as the finite difference methods. The criteria for choosing a nodal model of the core are: (1) the model should provide more detail than point kinetics and capture spatial effects, (2) it should not be too complex or overly detailed to slow down the simulation and provide details that are extraneous or unnecessary for a control engineer. Other than the reactor itself, there are auxiliary models that describe dynamics of different

Kinetics of levulinic acid and furfural production from Miscanthus × giganteus.

PubMed

Dussan, K; Girisuta, B; Haverty, D; Leahy, J J; Hayes, M H B

2013-12-01

This study investigated the kinetics of acid hydrolysis of the cellulose and hemicellulose in Miscanthus to produce levulinic acid and furfural under mild temperature and high acid concentration. Experiments were carried out in an 8L-batch reactor with 9%-wt. biomass loading, acid concentrations between 0.10 and 0.53 M H2SO4, and at temperatures between 150 and 200°C. The concentrations of xylose, glucose, furfural, 5-hydroxymethylfurfural and levulinic acid were used in two mechanistic kinetic models for the prediction of the performance of ideal continuous reactors for the optimisation of levulinic acid and the concurrent production of furfural. A two-stage arrangement was found to maximise furfural in the first reactor (PFR - 185°C, 0.5M H2SO4, 27.3%-mol). A second stage leads to levulinic acid yields between 58% and 72%-mol at temperatures between 160 and 200°C. Copyright © 2013 Elsevier Ltd. All rights reserved.

Proceedings of the 1992 topical meeting on advances in reactor physics. Volume 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1992-04-01

This document, Volume 2, presents proceedings of the 1992 Topical Meeting on Advances in Reactor Physics on March 8--11, 1992 at Charleston, SC. Session topics were as follows: Transport Theory; Fast Reactors; Plant Analyzers; Integral Experiments/Measurements & Analysis; Core Computational Systems; Reactor Physics; Monte Carlo; Safety Aspects of Heavy Water Reactors; and Space-Time Core Kinetics. The individual reports have been cataloged separately. (FI)

Learning the Fundamentals of Kinetics and Reaction Engineering with the Catalytic Oxidation of Methane

ERIC Educational Resources Information Center

Cybulskis, Viktor J.; Smeltz, Andrew D.; Zvinevich, Yury; Gounder, Rajamani; Delgass, W. Nicholas; Ribeiro, Fabio H.

2016-01-01

Understanding catalytic chemistry, collecting and interpreting kinetic data, and operating chemical reactors are critical skills for chemical engineers. This laboratory experiment provides students with a hands-on supplement to a course in chemical kinetics and reaction engineering. The oxidation of methane with a palladium catalyst supported on…

KINETICS OF LOW SOURCE REACTOR STARTUPS. PART II

DOE Office of Scientific and Technical Information (OSTI.GOV)

hurwitz, H. Jr.; MacMillan, D.B.; Smith, J.H.

1962-06-01

A computational technique is described for computation of the probability distribution of power level for a low source reactor startup. The technique uses a mathematical model, for the time-dependent probability distribution of neutron and precursor concentration, having finite neutron lifetime, one group of delayed neutron precursors, and no spatial dependence. Results obtained by the technique are given. (auth)

Kinetics of enzymatic trans-esterification of glycerides for biodiesel production.

PubMed

Calabrò, Vincenza; Ricca, Emanuele; De Paola, Maria Gabriela; Curcio, Stefano; Iorio, Gabriele

2010-08-01

In this paper, the reaction of enzymatic trans-esterification of glycerides with ethanol in a reaction medium containing hexane at a temperature of 37 degrees C has been studied. The enzyme was Lipase from Mucor miehei, immobilized on ionic exchange resin, aimed at achieving high catalytic specific surface and recovering, regenerating and reusing the biocatalyst. A kinetic analysis has been carried out to identify the reaction path; the rate equation and kinetic parameters have been also calculated. The kinetic model has been validated by comparison between predicted and experimental results. Mass transport resistances estimation was undertaken in order to verify that the kinetics found was intrinsic. Model potentialities in terms of reactors design and optimization are also shown.

A Special Topic From Nuclear Reactor Dynamics for the Undergraduate Physics Curriculum

ERIC Educational Resources Information Center

Sevenich, R. A.

1977-01-01

Presents an intuitive derivation of the point reactor equations followed by formulation of equations for inverse and direct kinetics which are readily programmed on a digital computer. Suggests several computer simulations involving the effect of control rod motion on reactor power. (MLH)

Kinetics of SiHCl3 chemical vapor deposition and fluid dynamic simulations.

PubMed

Cavallotti, Carlo; Masi, Maurizio

2011-09-01

Though most of the current silicon photovoltaic technology relies on trichlorosilane (SiHCl3) as a precursor gas to deposit Si, only a few studies have been devoted to the investigation of its gas phase and surface kinetics. In the present work we propose a new kinetic mechanism apt to describe the gas phase and surface chemistry active during the deposition of Si from SiHCl3. Kinetic constants of key reactions were either taken from the literature or determined through ab initio calculations. The capability of the mechanism to reproduce experimental data was tested through the implementation of the kinetic scheme in a fluid dynamic model and in the simulation of both deposition and etching of Si in horizontal reactors. The results of the simulations show that the reactivity of HCl is of key importance in order to control the Si deposition rate. When HCl reaches a critical concentration in the gas phase it starts etching the Si surface, so that the net deposition rate is the net sum of the adsorption rate of the gas phase precursors and the etching rate due to HCl. In these conditions the possibility to further deposit Si is directly related to the rate of consumption of HCl through its reaction with SiHCl3 to give SiCl4. The proposed reaction mechanism was implemented in a 3D fluid dynamic model of a simple Siemens reactor. The simulation results indicate that the proposed interpretation of the growth process applies also to this class of reactors, which operate in what can be defined as a mixed kinetic-transport controlled regime.

Adsorption kinetics of SO2 on powder activated carbon

NASA Astrophysics Data System (ADS)

Li, Bing; Zhang, Qilong; Ma, Chunyuan

2018-02-01

The flue gas SO2 adsorption removal by powder activated carbon is investigated based on a fixed bed reactor. The effect of SO2 inlet concentration on SO2 adsorption is investigated and the adsorption kinetics is analyzed. The results indicated that the initial SO2 adsorption rate and the amount of SO2 adsorbed have increased with increased in SO2 inlet concentration. Gas diffusion, surface adsorption and catalytic oxidation reaction are involved in SO2 adsorption on powder activated carbon, which play a different role in different stage. The Bangham kinetics model can be used to predict the kinetics of SO2 adsorption on powder activated carbon.

LSENS, The NASA Lewis Kinetics and Sensitivity Analysis Code

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

2000-01-01

A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS (the NASA Lewis kinetics and sensitivity analysis code), are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include: static system; steady, one-dimensional, inviscid flow; incident-shock initiated reaction in a shock tube; and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method (LSODE, the Livermore Solver for Ordinary Differential Equations), which works efficiently for the extremes of very fast and very slow reactions, is used to solve the "stiff" ordinary differential equation systems that arise in chemical kinetics. For static reactions, the code uses the decoupled direct method to calculate sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters. Solution methods for the equilibrium and post-shock conditions and for perfectly stirred reactor problems are either adapted from or based on the procedures built into the NASA code CEA (Chemical Equilibrium and Applications).

Oxidation kinetics of molten copper sulfide

NASA Astrophysics Data System (ADS)

Alyaser, A. H.; Brimacombe, J. K.

1995-02-01

The oxidation kinetics of molten Cu2S baths, during top lancing with oxygen/nitrogen (argon) mixtures, have been investigated as a function of oxygen partial pressure (0.2 to 0.78), bath temperature (1200 °C to 1300 °C), gas flow rate (1 to 4 L/min), and bath mixing. Surface-tension-driven flows (the Marangoni effect) were observed both visually and photographically. Thus, the oxidation of molten Cu2S was found to progress in two distinct stages, the kinetics of which are limited by the mass transfer of oxygen in the gas phase to the melt surface. During the primary stage, the melt is partially desulfurized while oxygen dissolves in the liquid sulfide. Upon saturation of the melt with oxygen, the secondary stage commences in which surface and bath reactions proceed to generate copper and SO2 electrochemically. A mathematical model of the reaction kinetics has been formulated and tested against the measurements. The results of this study shed light on the process kinetics of the copper blow in a Peirce-Smith converter or Mitsubishi reactor.

Soil slurry reactors for the assessment of contaminant biodegradation

NASA Astrophysics Data System (ADS)

Toscano, G.; Colarieti, M. L.; Greco, G.

2012-04-01

Slurry reactors are frequently used in the assessment of feasibility of biodegradation in natural soil systems. The rate of contaminant removal is usually quantified by zero- or first-order kinetics decay constants. The significance of such constants for the evaluation of removal rate in the field could be questioned because the slurry reactor is a water-saturated, well-stirred system without resemblance with an unsaturated fixed bed of soil. Nevertheless, a kinetic study with soil slurry reactors can still be useful by means of only slightly more sophisticated kinetic models than zero-/first-order decay. The use of kinetic models taking into account the role of degrading biomass, even in the absence of reliable experimental methods for its quantification, provides further insight into the effect of nutrient additions. A real acceleration of biodegradation processes is obtained only when the degrading biomass is in the growth condition. The apparent change in contaminant removal course can be useful to diagnose biomass growth without direct biomass measurement. Even though molecular biology techniques are effective to assess the presence of potentially degrading microorganism in a "viable-but-nonculturable" state, the attainment of conditions for growth is still important to the development of enhanced remediation techniques. The methodology is illustrated with reference to data gathered for two test sites, Oslo airport Gardermoen in Norway (continuous contamination by aircraft deicing fluids) and the Trecate site in Italy (aged contamination by crude oil spill). This research is part of SoilCAM project (Soil Contamination, Advanced integrated characterisation and time-lapse Monitoring 2008-2012, EU-FP7).

Detecting Dark Photons with Reactor Neutrino Experiments

NASA Astrophysics Data System (ADS)

Park, H. K.

2017-08-01

We propose to search for light U (1 ) dark photons, A', produced via kinetically mixing with ordinary photons via the Compton-like process, γ e-→A'e-, in a nuclear reactor and detected by their interactions with the material in the active volumes of reactor neutrino experiments. We derive 95% confidence-level upper limits on ɛ , the A'-γ mixing parameter, ɛ , for dark-photon masses below 1 MeV of ɛ <1.3 ×10-5 and ɛ <2.1 ×10-5, from NEOS and TEXONO experimental data, respectively. This study demonstrates the applicability of nuclear reactors as potential sources of intense fluxes of low-mass dark photons.

Design options for a bunsen reactor.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moore, Robert Charles

2013-10-01

This work is being performed for Matt Channon Consulting as part of the Sandia National Laboratories New Mexico Small Business Assistance Program (NMSBA). Matt Channon Consulting has requested Sandia's assistance in the design of a chemical Bunsen reactor for the reaction of SO2, I2 and H2O to produce H2SO4 and HI with a SO2 feed rate to the reactor of 50 kg/hour. Based on this value, an assumed reactor efficiency of 33%, and kinetic data from the literature, a plug flow reactor approximately 1%E2%80%9D diameter and and 12 inches long would be needed to meet the specification of the project.more » Because the Bunsen reaction is exothermic, heat in the amount of approximately 128,000 kJ/hr would need to be removed using a cooling jacket placed around the tubular reactor. The available literature information on Bunsen reactor design and operation, certain support equipment needed for process operation and a design that meet the specification of Matt Channon Consulting are presented.« less

Kinetic modelling of anaerobic hydrolysis of solid wastes, including disintegration processes.

PubMed

García-Gen, Santiago; Sousbie, Philippe; Rangaraj, Ganesh; Lema, Juan M; Rodríguez, Jorge; Steyer, Jean-Philippe; Torrijos, Michel

2015-01-01

A methodology to estimate disintegration and hydrolysis kinetic parameters of solid wastes and validate an ADM1-based anaerobic co-digestion model is presented. Kinetic parameters of the model were calibrated from batch reactor experiments treating individually fruit and vegetable wastes (among other residues) following a new protocol for batch tests. In addition, decoupled disintegration kinetics for readily and slowly biodegradable fractions of solid wastes was considered. Calibrated parameters from batch assays of individual substrates were used to validate the model for a semi-continuous co-digestion operation treating simultaneously 5 fruit and vegetable wastes. The semi-continuous experiment was carried out in a lab-scale CSTR reactor for 15 weeks at organic loading rate ranging between 2.0 and 4.7 gVS/Ld. The model (built in Matlab/Simulink) fit to a large extent the experimental results in both batch and semi-continuous mode and served as a powerful tool to simulate the digestion or co-digestion of solid wastes. Copyright © 2014 Elsevier Ltd. All rights reserved.

PHYTO-REMOVAL OF TRINITROTOLUENE FROM WATER WITH BATCH KINETIC STUDIES

EPA Science Inventory

A series of batch reactor studies were conducted to obtain kinetic data for optimizing phyto-treatment of water contaminated with trinitrotoluene (TNT). A plant screening study indicated that stonewort and parrotfeather were the most effective among the plants tested; parrotfeath...

Reaction Kinetic Model of Dilute Acid-Catalyzed Hemicellulose Hydrolysis of Corn Stover under High-Solid Conditions

DOE PAGES

Shi, Suan; Guan, Wenjian; Kang, Li; ...

2017-09-13

High solid conditions are desirable in pretreatment of lignocellulosic biomass. An advanced dilute-acid pretreatment reactor has been developed at National Renewable Energy Laboratory (NREL). It is a continuous auger-driven reactor that can be operated with high-solid charge at high temperature and with short residence time resulting high productivity and high sugar concentration. Here, we investigated the kinetics of the reactions associated with dilute-acid pretreatment of corn stover, covering the reaction conditions of the NREL reactor operation: 155-185 C, 1-2 wt% sulfuric acid concentration, and 1:2 solid to liquid ratio. The experimental data were fitted to a first-order biphasic model whichmore » assumes that xylan is comprised of two different fragments: fast and slow reacting fractions. Due to the high solid loading condition, significant amount of xylose oligomers was observed during the pretreatment. We also included the oligomers as an intermediate entity in the kinetic model. The effect of acid concentration was incorporated into the pre-exponential factor of Arrhenius equation. The kinetic model with bestfit kinetic parameters has shown good agreement with experimental data. The kinetic parameter values of the proposed model were noticeably different from those previously reported. The activation energies of xylan hydrolysis are lower and the acid exponents are higher than the average of literature values. The proposed model can serve as a useful tool for design and operation of pretreatment system pertaining to corn stover.« less

Reaction Kinetic Model of Dilute Acid-Catalyzed Hemicellulose Hydrolysis of Corn Stover under High-Solid Conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, Suan; Guan, Wenjian; Kang, Li

High solid conditions are desirable in pretreatment of lignocellulosic biomass. An advanced dilute-acid pretreatment reactor has been developed at National Renewable Energy Laboratory (NREL). It is a continuous auger-driven reactor that can be operated with high-solid charge at high temperature and with short residence time resulting high productivity and high sugar concentration. Here, we investigated the kinetics of the reactions associated with dilute-acid pretreatment of corn stover, covering the reaction conditions of the NREL reactor operation: 155-185 C, 1-2 wt% sulfuric acid concentration, and 1:2 solid to liquid ratio. The experimental data were fitted to a first-order biphasic model whichmore » assumes that xylan is comprised of two different fragments: fast and slow reacting fractions. Due to the high solid loading condition, significant amount of xylose oligomers was observed during the pretreatment. We also included the oligomers as an intermediate entity in the kinetic model. The effect of acid concentration was incorporated into the pre-exponential factor of Arrhenius equation. The kinetic model with bestfit kinetic parameters has shown good agreement with experimental data. The kinetic parameter values of the proposed model were noticeably different from those previously reported. The activation energies of xylan hydrolysis are lower and the acid exponents are higher than the average of literature values. The proposed model can serve as a useful tool for design and operation of pretreatment system pertaining to corn stover.« less

Adaptive Nodal Transport Methods for Reactor Transient Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thomas Downar; E. Lewis

2005-08-31

Develop methods for adaptively treating the angular, spatial, and time dependence of the neutron flux in reactor transient analysis. These methods were demonstrated in the DOE transport nodal code VARIANT and the US NRC spatial kinetics code, PARCS.

An improved external recycle reactor for determining gas-solid reaction kinetics

NASA Technical Reports Server (NTRS)

Miller, Irvin M.; Hoyt, Ronald F.

1987-01-01

These improvements in the recycle system effectively eliminate initial concentration variation by two modifications: (1) a vacuum line connection to the recycle loop which permits this loop to be evacuated and then filled with the test gas mixture to slightly above atmospheric pressure; and (2) a bypass line across the reactor which permits the reactor to be held under vacuum while the rest of the recycle loop is filled with test gas. A three-step procedure for bringing the feed gas mixture into contact with the catalyst at time zero is described.

Detecting Dark Photons with Reactor Neutrino Experiments.

PubMed

Park, H K

2017-08-25

We propose to search for light U(1) dark photons, A^{'}, produced via kinetically mixing with ordinary photons via the Compton-like process, γe^{-}→A^{'}e^{-}, in a nuclear reactor and detected by their interactions with the material in the active volumes of reactor neutrino experiments. We derive 95% confidence-level upper limits on ε, the A^{'}-γ mixing parameter, ε, for dark-photon masses below 1 MeV of ε<1.3×10^{-5} and ε<2.1×10^{-5}, from NEOS and TEXONO experimental data, respectively. This study demonstrates the applicability of nuclear reactors as potential sources of intense fluxes of low-mass dark photons.

Moving bed reactor setup to study complex gas-solid reactions.

PubMed

Gupta, Puneet; Velazquez-Vargas, Luis G; Valentine, Charles; Fan, Liang-Shih

2007-08-01

A moving bed scale reactor setup for studying complex gas-solid reactions has been designed in order to obtain kinetic data for scale-up purpose. In this bench scale reactor setup, gas and solid reactants can be contacted in a cocurrent and countercurrent manner at high temperatures. Gas and solid sampling can be performed through the reactor bed with their composition profiles determined at steady state. The reactor setup can be used to evaluate and corroborate model parameters accounting for intrinsic reaction rates in both simple and complex gas-solid reaction systems. The moving bed design allows experimentation over a variety of gas and solid compositions in a single experiment unlike differential bed reactors where the gas composition is usually fixed. The data obtained from the reactor can also be used for direct scale-up of designs for moving bed reactors.

Pile noise experiment in MINERVE reactor to estimate kinetic parameters using various data processing methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Geslot, Benoit; Gruel, Adrien; Pepino, Alexandra

2015-07-01

MINERVE is a two-zone pool type zero power reactor operated by CEA (Cadarache, France). Kinetic parameters of the core (prompt neutron decay constant, delayed neutron fraction, generation time) have been recently measured using various pile noise experimental techniques, namely Feynman-α, Rossi-α and Cohn-α. Results are discussed and compared to each other's. The measurement campaign has been conducted in the framework of a tri-partite collaboration between CEA, SCK.CEN and PSI. Results presented in this paper were obtained thanks to a time-stamping acquisition system developed by CEA. PSI performed simultaneous measurements which are presented in a companion paper. Signals come from twomore » high efficiency fission chambers located in the graphite reflector next to the core driver zone. Experiments were conducted at critical state with a reactor power of 0.2 W. The core integral fission rate is obtained from a calibrated miniature fission chamber located at the center of the core. Other results obtained in two sub-critical configurations will be presented elsewhere. Best estimate delayed neutron fraction comes from the Cohn-α method: 747 ± 15 pcm (1σ). In this case, the prompt decay constant is 79 ± 0.5 s{sup -1} and the generation time is 94.5 ± 0.7 μs. Other methods give consistent results within the confidence intervals. Experimental results are compared to calculated values obtained from a full 3D core modeling with the CEA-developed Monte Carlo code TRIPOLI4.9 associated with its continuous energy JEFF3.1.1-based library. A very good agreement is observed for the calculated delayed neutron fraction (748.7 ± 0.4 pcm at 1σ), that is a difference of -0.3% with the experiment. On the contrary, a 10% discrepancy is observed for the calculated generation time (104.4 ± 0.1 μs at 1σ). (authors)« less

Ozone kinetics in low-pressure discharges

NASA Astrophysics Data System (ADS)

Guerra, Vasco; Marinov, Daniil; Guaitella, Olivier; Rousseau, Antoine

2012-10-01

Ozone kinetics is quite well established at atmospheric pressure, due to the importance of ozone in atmospheric chemistry and to the development of industrial ozone reactors. However, as the pressure is decreased and the dominant three-body reactions lose importance, the main mechanisms involved in the creation and destruction of ozone are still surrounded by important uncertainties. In this work we develop a self-consistent model for a pulsed discharge and its afterglow operating in a Pyrex reactor with inner radius 1 cm, at pressures in the range 1-5 Torr and discharge currents of 40-120 mA. The model couples the electron Boltzmann equation with a system of equations for the time evolution of the heavy particles. The calculations are compared with time-dependent measurements of ozone and atomic oxygen. Parametric studies are performed in order to clarify the role of vibrationally excited ozone in the overall kinetics and to establish the conditions where ozone production on the surface may become important. It is shown that vibrationally excited ozone does play a significant role, by increasing the time constants of ozone formation. Moreover, an upper limit for the ozone formation at the wall in these conditions is set at 10(-4).

Reaction kinetics of cellulose hydrolysis in subcritical and supercritical water

NASA Astrophysics Data System (ADS)

Olanrewaju, Kazeem Bode

The uncertainties in the continuous supply of fossil fuels from the crisis-ridden oil-rich region of the world is fast shifting focus on the need to utilize cellulosic biomass and develop more efficient technologies for its conversion to fuels and chemicals. One such technology is the rapid degradation of cellulose in supercritical water without the need for an enzyme or inorganic catalyst such as acid. This project focused on the study of reaction kinetics of cellulose hydrolysis in subcritical and supercritical water. Cellulose reactions at hydrothermal conditions can proceed via the homogeneous route involving dissolution and hydrolysis or the heterogeneous path of surface hydrolysis. The work is divided into three main parts. First, the detailed kinetic analysis of cellulose reactions in micro- and tubular reactors was conducted. Reaction kinetics models were applied, and kinetics parameters at both subcritical and supercritical conditions were evaluated. The second major task was the evaluation of yields of water soluble hydrolysates obtained from the hydrolysis of cellulose and starch in hydrothermal reactors. Lastly, changes in molecular weight distribution due to hydrothermolytic degradation of cellulose were investigated. These changes were also simulated based on different modes of scission, and the pattern generated from simulation was compared with the distribution pattern from experiments. For a better understanding of the reaction kinetics of cellulose in subcritical and supercritical water, a series of reactions was conducted in the microreactor. Hydrolysis of cellulose was performed at subcritical temperatures ranging from 270 to 340 °C (tau = 0.40--0.88 s). For the dissolution of cellulose, the reaction was conducted at supercritical temperatures ranging from 375 to 395 °C (tau = 0.27--0.44 s). The operating pressure for the reactions at both subcritical and supercritical conditions was 5000 psig. The results show that the rate-limiting step in

Kinetics of Hydrolysis of Acetic Anhydride by In-Situ FTIR Spectroscopy: An Experiment for the Undergraduate Laboratory

ERIC Educational Resources Information Center

Haji, Shaker; Erkey, Can

2005-01-01

A reaction kinetics experiment for the chemical engineering undergraduate laboratory course was developed in which in-situ Fourier Transfer Infrared spectroscopy was used to measure reactant and product concentrations. The kinetics of the hydrolysis of acetic anhydride was determined by experiments carried out in a batch reactor. The results…

Understanding the reaction of nuclear graphite with molecular oxygen: Kinetics, transport, and structural evolution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kane, Joshua J.; Contescu, Cristian I.; Smith, Rebecca E.

A thorough understanding of oxidation is important when considering the health and integrity of graphite components in graphite reactors. For the next generation of graphite reactors, HTGRs specifically, an unlikely air ingress has been deemed significant enough to have made its way into the licensing applications of many international licensing bodies. While a substantial body of literature exists on nuclear graphite oxidation in the presence of molecular oxygen and significant efforts have been made to characterize oxidation kinetics of various grades, the value of existing information is somewhat limited. Often, multiple competing processes, including reaction kinetics, mass transfer, and microstructuralmore » evolution, are lumped together into a single rate expression that limits the ability to translate this information to different conditions. This article reviews the reaction of graphite with molecular oxygen in terms of the reaction kinetics, gas transport, and microstructural evolution of graphite. It also presents the foundations of a model for the graphite-molecular oxygen reaction system that is kinetically independent of graphite grade, and is capable of describing both the bulk and local oxidation rates under a wide range of conditions applicable to air-ingress.« less

Understanding the reaction of nuclear graphite with molecular oxygen: Kinetics, transport, and structural evolution

DOE PAGES

Kane, Joshua J.; Contescu, Cristian I.; Smith, Rebecca E.; ...

2017-06-08

A thorough understanding of oxidation is important when considering the health and integrity of graphite components in graphite reactors. For the next generation of graphite reactors, HTGRs specifically, an unlikely air ingress has been deemed significant enough to have made its way into the licensing applications of many international licensing bodies. While a substantial body of literature exists on nuclear graphite oxidation in the presence of molecular oxygen and significant efforts have been made to characterize oxidation kinetics of various grades, the value of existing information is somewhat limited. Often, multiple competing processes, including reaction kinetics, mass transfer, and microstructuralmore » evolution, are lumped together into a single rate expression that limits the ability to translate this information to different conditions. This article reviews the reaction of graphite with molecular oxygen in terms of the reaction kinetics, gas transport, and microstructural evolution of graphite. It also presents the foundations of a model for the graphite-molecular oxygen reaction system that is kinetically independent of graphite grade, and is capable of describing both the bulk and local oxidation rates under a wide range of conditions applicable to air-ingress.« less

Kinetic rate laws of Cd, Pb, and Zn vaporization during municipal solid waste incineration.

PubMed

Falcoz, Quentin; Gauthier, Daniel; Abanades, Stéphane; Flamant, Gilles; Patisson, Fabrice

2009-03-15

The kinetic rate laws of heavy metal (HM) vaporization from municipal solid waste during its incineration were studied. Realistic artificial waste (RAW) samples spiked with Pb, Zn, and Cd were injected into a fluidized bed reactor. Metal vaporization wastracked by continuous measure ofthe above metals in exhaust gases. An inverse model of the reactor was used to calculate the metal vaporization rates from the concentration vs time profiles in the outlet gas. For each metal, experiments were carried out at several temperatures in order to determine the kinetic parameters and to obtain specific rate laws as functions of temperature. Temperature has a strong influence on the HM vaporization dynamics, especially on the vaporization kinetics profile. This phenomenon was attributed to internal diffusion control of the HM release. Two types of kinetic rate laws were established based on temperature: a fourth- or fifth-order polynomial rate law (r(x) = k0e(-E(A)/RT)p(x)) for temperatures lower than 740 degrees C and a first-order polynomial (r(x) = k0e(-E(A)/ RT(q-q(f) for temperatures higher than 740 degrees C.

Hydrolysis kinetics of tulip tree xylan in hot compressed water.

PubMed

Yoon, Junho; Lee, Hun Wook; Sim, Seungjae; Myint, Aye Aye; Park, Hee Jeong; Lee, Youn-Woo

2016-08-01

Lignocellulosic biomass, a promising renewable resource, can be converted into numerous valuable chemicals post enzymatic saccharification. However, the efficacy of enzymatic saccharification of lignocellulosic biomass is low; therefore, pretreatment is necessary to improve the efficiency. Here, a kinetic analysis was carried out on xylan hydrolysis, after hot compressed water pretreatment of the lignocellulosic biomass conducted at 180-220°C for 5-30min, and on subsequent xylooligosaccharide hydrolysis. The weight ratio of fast-reacting xylan to slow-reacting xylan was 5.25 in tulip tree. Our kinetic results were applied to three different reaction systems to improve the pretreatment efficiency. We found that semi-continuous reactor is promising. Lower reaction temperatures and shorter space times in semi-continuous reactor are recommended for improving xylan conversion and xylooligosaccharide yield. In the theoretical calculation, 95% of xylooligosaccharide yield and xylan conversion were achieved simultaneously with high selectivity (desired product/undesired product) of 100 or more. Copyright © 2016. Published by Elsevier Ltd.

Modelling cometabolic biotransformation of organic micropollutants in nitrifying reactors.

PubMed

Fernandez-Fontaina, E; Carballa, M; Omil, F; Lema, J M

2014-11-15

Cometabolism is the ability of microorganisms to degrade non-growth substrates in the presence of primary substrates, being the main removal mechanism behind the biotransformation of organic micropollutants in wastewater treatment plants. In this paper, a cometabolic Monod-type kinetics, linking biotransformation of micropollutants with primary substrate degradation, was applied to a highly enriched nitrifying activated sludge (NAS) reactor operated under different operational conditions (hydraulic retention time (HRT) and nitrifying activity). A dynamic model of the bioreactor was built taking into account biotransformation, sorption and volatilization. The micropollutant transformation capacity (Tc), the half-saturation constant (Ksc) and the solid-liquid partitioning coefficient (Kd) of several organic micropollutants were estimated at 25 °C using an optimization algorithm to fit experimental data to the proposed model with the cometabolic Monod-type biotransformation kinetics. The cometabolic Monod-type kinetic model was validated under different HRTs (1.0-3.7 d) and nitrification rates (0.12-0.45 g N/g VSS d), describing more accurately the fate of those compounds affected by the biological activity of nitrifiers (ibuprofen, naproxen, erythromycin and roxithromycin) compared to the commonly applied pseudo-first order micropollutant biotransformation kinetics, which does not link biotransformation of micropollutants to consumption of primary substrate. Furthermore, in contrast to the pseudo-first order biotransformation constant (k(biol)), the proposed cometabolic kinetic coefficients are independent of operational conditions such as the nitrogen loading rate applied. Also, the influence of the kinetic parameters on the biotransformation efficiency of NAS reactors, defined as the relative amount of the total inlet micropollutant load being biotransformed, was assessed considering different HRTs and nitrification rates. Copyright © 2014 Elsevier Ltd. All

Application of point kinetics equations to the design of a reactivity meter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Binney, S.E.; Bakir, A.J.M.

1988-01-01

The time-dependent reactivity of a nuclear reactor is obviously one of the most important reactor parameters that describes the state of the reactor. Although several different types of techniques exist to measure reactivity, only the kinetic method is described here. The paper illustrates the measured reactor power and calculated reactivity for a 70 cents step change in reactivity. These data were taken at 1-s time intervals. It is seen that the reactivity, initially at zero, rises rapidly to a predetermined value (determined by the reactivity change induced in the system) and then returns to zero as the reactor is reestablishedmore » in a critical situation by insertion of another control rod. It is concluded that the method of Tuttle has been adapted to produce a reliable, on-line calculation of reactivity from a time-dependent reactor power signal.« less

Industrial wastewater treatment in a new gas-induced ozone reactor.

PubMed

Lin, Sheng H; Wang, Ching H

2003-03-17

The present work was to investigate industrial wastewater treatment by ozonation in a new gas-induced reactor in conjunction with chemical coagulation pretreatment. The reactor was specifically designed in a fashion that gas induction was created on the liquid surface by the high-speed action of an impeller turbine inside a draft tube to maximize the ozone gas utilization. A new design feature of the present reactor system was a fixed granular activated carbon (GAC) bed packed in a circular compartment between the reactor wall and the shaft tube. The fixed GAC bed provided additional adsorption and catalytic degradation of organic pollutants. Combination of the fixed GAC bed and ozonation results in enhanced oxidation of organic pollutants. In addition to enhanced pollutant oxidation, ozonation was found to provide in situ GAC regeneration that was considered crucial in the present reaction system. Kinetic investigations were also made using a proposed complex kinetic model to elucidate the possible oxidation reaction mechanisms of the present gas-induced ozonation system. As a complementary measure, chemical coagulation pretreatment was found able to achieve up to 50% COD and 85% ADMI removal. Experimental tests were conducted to identify its optimum operating conditions. Copyright 2003 Elsevier Science B.V.

Carbofuran removal in continuous-photocatalytic reactor: Reactor optimization, rate-constant determination and carbofuran degradation pathway analysis.

PubMed

Vishnuganth, M A; Remya, Neelancherry; Kumar, Mathava; Selvaraju, N

2017-05-04

Carbofuran (CBF) removal in a continuous-flow photocatalytic reactor with granular activated carbon supported titanium dioxide (GAC-TiO 2 ) catalyst was investigated. The effects of feed flow rate, TiO 2 concentration and addition of supplementary oxidants on CBF removal were investigated. The central composite design (CCD) was used to design the experiments and to estimate the effects of feed flow rate and TiO 2 concentration on CBF removal. The outcome of CCD experiments demonstrated that reactor performance was influenced mainly by feed flow rate compared to TiO 2 concentration. A second-order polynomial model developed based on CCD experiments fitted the experimental data with good correlation (R 2 ∼ 0.964). The addition of 1 mL min -1 hydrogen peroxide has shown complete CBF degradation and 76% chemical oxygen demand removal under the following operating conditions of CBF ∼50 mg L -1 , TiO 2 ∼5 mg L -1 and feed flow rate ∼82.5 mL min -1 . Rate constant of the photodegradation process was also calculated by applying the kinetic data in pseudo-first-order kinetics. Four major degradation intermediates of CBF were identified using GC-MS analysis. As a whole, the reactor system and GAC-TiO 2 catalyst used could be constructive in cost-effective CBF removal with no impact to receiving environment through getaway of photocatalyst.

Modeling the Homogenization Kinetics of As-Cast U-10wt% Mo alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Zhijie; Joshi, Vineet; Hu, Shenyang Y.

2016-01-15

Low-enriched U-22at% Mo (U-10Mo) alloy has been considered as an alternative material to replace the highly enriched fuels in research reactors. For the U-10Mo to work effectively and replace the existing fuel material, a thorough understanding of the microstructure development from as-cast to the final formed structure is required. The as-cast microstructure typically resembles an inhomogeneous microstructure with regions containing molybdenum-rich and -lean regions, which may affect the processing and possibly the in-reactor performance. This as-cast structure must be homogenized by thermal treatment to produce a uniform Mo distribution. The development of a modeling capability will improve the understanding ofmore » the effect of initial microstructures on the Mo homogenization kinetics. In the current work, we investigated the effect of as-cast microstructure on the homogenization kinetics. The kinetics of the homogenization was modeled based on a rigorous algorithm that relates the line scan data of Mo concentration to the gray scale in energy dispersive spectroscopy images, which was used to generate a reconstructed Mo concentration map. The map was then used as realistic microstructure input for physics-based homogenization models, where the entire homogenization kinetics can be simulated and validated against the available experiment data at different homogenization times and temperatures.« less

Methane oxidation in a landfill cover soil reactor: Changing of kinetic parameters and microorganism community structure.

PubMed

Xing, Zhi L; Zhao, Tian T; Gao, Yan H; Yang, Xu; Liu, Shuai; Peng, Xu Y

2017-02-23

Changing of CH 4 oxidation potential and biological characteristics with CH 4 concentration was studied in a landfill cover soil reactor (LCSR). The maximum rate of CH 4 oxidation reached 32.40 mol d -1 m -2 by providing sufficient O 2 in the LCSR. The kinetic parameters of methane oxidation in landfill cover soil were obtained by fitting substrate diffusion and consumption model based on the concentration profile of CH 4 and O 2 . The values of [Formula: see text] (0.93-2.29%) and [Formula: see text] (140-524 nmol kg soil-DW -1 ·s -1 ) increased with CH 4 concentration (9.25-20.30%), while the values of [Formula: see text] (312.9-2.6%) and [Formula: see text] (1.3 × 10 -5 to 9.0 × 10 -3 nmol mL -1 h -1 ) were just the opposite. MiSeq pyrosequencing data revealed that Methylobacter (the relative abundance was decreased with height of LCSR) and Methylococcales_unclassified (the relative abundance was increased expect in H 80) became the key players after incubation with increasing CH 4 concentration. These findings provide information for assessing CH 4 oxidation potential and changing of biological characteristics in landfill cover soil.

Kinetic study of heterogeneous reaction of deliquesced NaCl particles with gaseous HNO3 using particle-on-substrate stagnation flow reactor approach.

PubMed

Liu, Y; Cain, J P; Wang, H; Laskin, A

2007-10-11

Heterogeneous reaction kinetics of gaseous nitric acid with deliquesced sodium chloride particles NaCl(aq) + HNO3(g) --> NaNO3(aq) + HCl(g) were investigated with a novel particle-on-substrate stagnation flow reactor (PS-SFR) approach under conditions, including particle size, relative humidity, and reaction time, directly relevant to the atmospheric chemistry of sea salt particles. Particles deposited onto an electron microscopy grid substrate were exposed to the reacting gas at atmospheric pressure and room temperature by impingement via a stagnation flow inside the reactor. The reactor design and choice of flow parameters were guided by computational fluid dynamics to ensure uniformity of the diffusion flux to all particles undergoing reaction. The reaction kinetics was followed by observing chloride depletion in the particles by computer-controlled scanning electron microscopy with energy-dispersive X-ray analysis (CCSEM/EDX). The validity of the current approach was examined first by conducting experiments with median dry particle diameter D(p) = 0.82 microm, 80% relative humidity, particle loading densities 4 x 10(4) kinetic analysis reported earlier (Laskin, A.; Wang, H.; Robertson, W. H.; Cowin, J. P.; Ezell, M. J.; Finlayson-Pitts, B. J. J. Phys. Chem. A 2006, 110, 10619). The intrinsic, second-order rate constant was obtained as kII = 5.7 x 10(-15) cm3 molecule(-1) s(-1) in the limit of zero particle loading and by assuming that the substrate is inert to HNO3. Under this loading condition the experimental, net reaction uptake coefficient was found to be gamma(net) = 0.11 with an uncertainty factor of 3. Additional experiments examined

Kinetics of the mechanochemical synthesis of alkaline-earth metal amides

NASA Astrophysics Data System (ADS)

Garroni, Sebastiano; Takacs, Laszlo; Leng, Haiyan; Delogu, Francesco

2014-07-01

A phenomenological framework is developed to model the kinetics of the formation of alkaline-earth metal amides by the ball milling induced reaction of their hydrides with gaseous ammonia. It is shown that the exponential character of the kinetic curves is modulated by the increase of the total volume of the powder inside the reactor due to the substantially larger molar volume of the products compared to the reactants. It is claimed that the volume of powder effectively processed during each collision connects the transformation rate to the physical and chemical processes underlying the mechanochemical transformations.

"Batch" kinetics in flow: online IR analysis and continuous control.

PubMed

Moore, Jason S; Jensen, Klavs F

2014-01-07

Currently, kinetic data is either collected under steady-state conditions in flow or by generating time-series data in batch. Batch experiments are generally considered to be more suitable for the generation of kinetic data because of the ability to collect data from many time points in a single experiment. Now, a method that rapidly generates time-series reaction data from flow reactors by continuously manipulating the flow rate and reaction temperature has been developed. This approach makes use of inline IR analysis and an automated microreactor system, which allowed for rapid and tight control of the operating conditions. The conversion/residence time profiles at several temperatures were used to fit parameters to a kinetic model. This method requires significantly less time and a smaller amount of starting material compared to one-at-a-time flow experiments, and thus allows for the rapid generation of kinetic data. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetics in the real world: linking molecules, processes, and systems.

PubMed

Kohse-Höinghaus, Katharina; Troe, Jürgen; Grabow, Jens-Uwe; Olzmann, Matthias; Friedrichs, Gernot; Hungenberg, Klaus-Dieter

2018-04-25

Unravelling elementary steps, reaction pathways, and kinetic mechanisms is key to understanding the behaviour of many real-world chemical systems that span from the troposphere or even interstellar media to engines and process reactors. Recent work in chemical kinetics provides detailed information on the reactive changes occurring in chemical systems, often on the atomic or molecular scale. The optimisation of practical processes, for instance in combustion, catalysis, battery technology, polymerisation, and nanoparticle production, can profit from a sound knowledge of the underlying fundamental chemical kinetics. Reaction mechanisms can combine information gained from theory and experiments to enable the predictive simulation and optimisation of the crucial process variables and influences on the system's behaviour that may be exploited for both monitoring and control. Chemical kinetics, as one of the pillars of Physical Chemistry, thus contributes importantly to understanding and describing natural environments and technical processes and is becoming increasingly relevant for interactions in and with the real world.

Analysis of a boron-carbide-drum-controlled critical reactor experiment

NASA Technical Reports Server (NTRS)

Mayo, W. T.

1972-01-01

In order to validate methods and cross sections used in the neutronic design of compact fast-spectrum reactors for generating electric power in space, an analysis of a boron-carbide-drum-controlled critical reactor was made. For this reactor the transport analysis gave generally satisfactory results. The calculated multiplication factor for the most detailed calculation was only 0.7-percent Delta k too high. Calculated reactivity worth of the control drums was $11.61 compared to measurements of $11.58 by the inverse kinetics methods and $11.98 by the inverse counting method. Calculated radial and axial power distributions were in good agreement with experiment.

Comprehensive kinetic model for the low-temperature oxidation of hydrocarbons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gaffuri, P.; Faravelli, T.; Ranzi, E.

1997-05-01

The oxidation chemistry in the low- and intermediate-temperature regimes (600--900 K) is important and plays a significant role in the overall combustion process. Autoignition in diesel engines as well as end-gas autoignition and knock phenomena in s.i. engines are initiated at these low temperatures. The low-temperature oxidation chemistry of linear and branched alkanes is discussed with the aim of unifying their complex behavior in various experimental systems using a single detailed kinetic model. New experimental data, obtained in a pressurized flow reactor, as well as in batch- and jet-stirred reactors, are useful for a better definition of the region ofmore » cool flames and negative temperature coefficient (NTC) for pure hydrocarbons from propane up to isooctane. Thermochemical oscillations and the NTC region of the reaction rate of the low-temperature oxidation of n-heptane and isooctane in a jet-stirred flow reactor are reproduced quite well by the model, not only in a qualitative way but in terms of the experimental frequencies and intensities of cool flames. Very good agreement is also observed for fuel conversion and intermediate-species formation. Irrespective of the experimental system, the same critical reaction steps always control these phenomena. The results contribute to the definition of a limited set of fundamental kinetic parameters that should be easily extended to model heavier alkanes.« less

Modeling of the HiPco process for carbon nanotube production. II. Reactor-scale analysis

NASA Technical Reports Server (NTRS)

Gokcen, Tahir; Dateo, Christopher E.; Meyyappan, M.

2002-01-01

The high-pressure carbon monoxide (HiPco) process, developed at Rice University, has been reported to produce single-walled carbon nanotubes from gas-phase reactions of iron carbonyl in carbon monoxide at high pressures (10-100 atm). Computational modeling is used here to develop an understanding of the HiPco process. A detailed kinetic model of the HiPco process that includes of the precursor, decomposition metal cluster formation and growth, and carbon nanotube growth was developed in the previous article (Part I). Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. The diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by the Boudouard reaction with metal catalysts. Based on the detailed model simulations, a reduced kinetic model was also developed in Part I for use in reactor-scale flowfield calculations. Here this reduced kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance. Carbon nanotube growth is examined with respect to several process variables (peripheral jet temperature, reactor pressure, and Fe(CO)5 concentration) with the use of the axisymmetric model, and the computed results are compared with existing experimental data. The model yields most of the qualitative trends observed in the experiments and helps to understanding the fundamental processes in HiPco carbon nanotube production.

Hydrodynamic models for slurry bubble column reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gidaspow, D.

1995-12-31

The objective of this investigation is to convert a {open_quotes}learning gas-solid-liquid{close_quotes} fluidization model into a predictive design model. This model is capable of predicting local gas, liquid and solids hold-ups and the basic flow regimes: the uniform bubbling, the industrially practical churn-turbulent (bubble coalescence) and the slugging regimes. Current reactor models incorrectly assume that the gas and the particle hold-ups (volume fractions) are uniform in the reactor. They must be given in terms of empirical correlations determined under conditions that radically differ from reactor operation. In the proposed hydrodynamic approach these hold-ups are computed from separate phase momentum balances. Furthermore,more » the kinetic theory approach computes the high slurry viscosities from collisions of the catalyst particles. Thus particle rheology is not an input into the model.« less

Neutronic safety parameters and transient analyses for Poland's MARIA research reactor.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bretscher, M. M.; Hanan, N. A.; Matos, J. E.

1999-09-27

Reactor kinetic parameters, reactivity feedback coefficients, and control rod reactivity worths have been calculated for the MARIA Research Reactor (Swierk, Poland) for M6-type fuel assemblies with {sup 235}U enrichments of 80% and 19.7%. Kinetic parameters were evaluated for family-dependent effective delayed neutron fractions, decay constants, and prompt neutron lifetimes and neutron generation times. Reactivity feedback coefficients were determined for fuel Doppler coefficients, coolant (H{sub 2}O) void and temperature coefficients, and for in-core and ex-core beryllium temperature coefficients. Total and differential control rod worths and safety rod worths were calculated for each fuel type. These parameters were used to calculate genericmore » transients for fast and slow reactivity insertions with both HEU and LEU fuels. The analyses show that the HEU and LEU cores have very similar responses to these transients.« less

Kinetics and thermochemistry of polyatomic free radicals: New results and new understandings

NASA Technical Reports Server (NTRS)

Gutman, David; Slagle, Irene R.

1990-01-01

An experimental facility for the study of the chemical kinetics of polyatomic free radicals is described which consists of a heatable tubular reactor coupled to a photoionization mass spectrometer. Its use in different kinds of chemical kinetic studies is also discussed. Examples presented include studies of the C2H3 + O2, C2H3 + HC1, CH3 + O, and CH3 + CH3 reactions. The heat of formation of C2H3 was obtained from the results of the study of the C2H3 + HC1 reaction.

Methodologies for extracting kinetic constants for multiphase reacting flow simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chang, S.L.; Lottes, S.A.; Golchert, B.

1997-03-01

Flows in industrial reactors often involve complex reactions of many species. A computational fluid dynamics (CFD) computer code, ICRKFLO, was developed to simulate multiphase, multi-species reacting flows. The ICRKFLO uses a hybrid technique to calculate species concentration and reaction for a large number of species in a reacting flow. This technique includes a hydrodynamic and reacting flow simulation with a small but sufficient number of lumped reactions to compute flow field properties followed by a calculation of local reaction kinetics and transport of many subspecies (order of 10 to 100). Kinetic rate constants of the numerous subspecies chemical reactions aremore » difficult to determine. A methodology has been developed to extract kinetic constants from experimental data efficiently. A flow simulation of a fluid catalytic cracking (FCC) riser was successfully used to demonstrate this methodology.« less

Chlorination kinetics of glyphosate and its by-products: modeling approach.

PubMed

Brosillon, Stephan; Wolbert, Dominique; Lemasle, Marguerite; Roche, Pascal; Mehrsheikh, Akbar

2006-06-01

Chlorination reactions of glyphosate, glycine, and sodium cyanate were conducted in well-agitated reactors to generate experimental kinetic measurements for the simulation of chlorination kinetics under the conditions of industrial water purification plants. The contribution of different by-products to the overall degradation of glyphosate during chlorination has been identified. The kinetic rate constants for the chlorination of glyphosate and its main degradation products were either obtained by calculation according to experimental data or taken from published literature. The fit of the kinetic constants with experimental data allowed us to predict consistently the concentration of the majority of the transitory and terminal chlorination products identified in the course of the glyphosate chlorination process. The simulation results conducted at varying aqueous chlorine/glyphosate molar ratios have shown that glyphosate is expected to degrade in fraction of a second under industrial aqueous chlorination conditions. Glyphosate chlorination products are not stable under the conditions of drinking water chlorination and are degraded to small molecules common to the degradation of amino acids and other naturally occurring substances in raw water. The kinetic studies of the chlorination reaction of glyphosate, together with calculations based on kinetic modeling in conditions close to those at real water treatment plants, confirm the reaction mechanism that we have previously suggested for glyphosate chlorination.

Kinetics of methane production and biodegradation of linear alkylbenzene sulfonate from laundry wastewater.

PubMed

Motteran, Fabrício; Braga, Juliana K; Silva, Edson L; Varesche, Maria Bernadete A

2016-12-05

This study evaluates the kinetics of methane production and degradation of standard linear alkylbenzene sulfonate (LAS) (50 ± 3.5 mg/L) and LAS from laundry wastewater (85 ± 2.1 mg/L) in anaerobic batch reactors at 30°C with different sources of inoculum. The inocula were obtained by auto-fermentation (AFM) and UASB reactors from wastewater treatment of poultry slaughterhouse (SGH), swine production (SWT) and wastewater treatment thermophilic of sugarcane industry (THR). The study was divided into three phases: synthetic substrate (Phase I), standard LAS (Phase II) and LAS from laundry wastewater (Phase III). For SGH, the highest values for cumulative methane productions (1,844.8 ± 149 µmol-Phase II), methane production rate (70.8 ± 88 µmol/h-Phase II and 4.01 ± 07 µmol/h-Phase III) were observed. The use of thermophilic biomass (THR) incubated at 30°C was not favorable for methane production and LAS biodegradation, but the highest kinetic coefficient degradation (k 1 app ) was obtained for LAS (0.33 ± 0.3 h) compared with mesophilic biomass (SGH and SWT) (0.13 ± 0.02 h). Therefore, both LAS sources influenced the kinetics of methane production and organic matter degradation. For SGH, inoculum obtained the highest LAS degradation. In the SGH inoculum sequenced by MiSeq-Illumina was identified genera (VadinCA02, Candidatus Cloacamonas, VadinHB04, PD-UASB-13) related to degrade toxic compounds. Therefore, it recommended the reactor mesophilic inoculum UASB (SGH) for the LAS degradation.

Adsorption with biodegradation for decolorization of reactive black 5 by Funalia trogii 200800 on a fly ash-chitosan medium in a fluidized bed bioreactor-kinetic model and reactor performance.

PubMed

Lin, Yen-Hui; Lin, Wen-Fan; Jhang, Kai-Ning; Lin, Pei-Yu; Lee, Mong-Chuan

2013-02-01

A non-steady-state mathematical model system for the kinetics of adsorption and biodegradation of reactive black 5 (RB5) by Funalia trogii (F. trogii) ATCC 200800 biofilm on fly ash-chitosan bead in the fluidized bed process was derived. The mechanisms in the model system included adsorption by fly ash-chitosan beads, biodegradation by F. trogii cells and mass transport diffusion. Batch kinetic tests were independently performed to determine surface diffusivity of RB5, adsorption parameters for RB5 and biokinetic parameters of F. trogii ATCC 200800. A column test was conducted using a continuous-flow fluidized bed reactor with a recycling pump to approximate a completely-mixed flow reactor for model verification. The experimental results indicated that F. trogii biofilm bioregenerated the fly ash-chitosan beads after attached F. trogii has grown significantly. The removal efficiency of RB5 was about 95 % when RB5 concentration in the effluent was approximately 0.34 mg/L at a steady-state condition. The concentration of suspended F. trogii cells reached up to about 1.74 mg/L while the thickness of attached F. trogii cells was estimated to be 80 μm at a steady-state condition by model prediction. The comparisons of experimental data and model prediction show that the model system for adsorption and biodegradation of RB5 can predict the experimental results well. The approaches of experiments and mathematical modeling in this study can be applied to design a full-scale fluidized bed process to treat reactive dye in textile wastewater.

The kinetics for ammonium and nitrite oxidation under the effect of hydroxylamine.

PubMed

Wan, Xinyu; Xiao, Pengying; Zhang, Daijun; Lu, Peili; Yao, Zongbao; He, Qiang

2016-01-01

The kinetics for ammonium (NH4(+)) oxidation and nitrite (NO2(-)) oxidation under the effect of hydroxylamine (NH2OH) were studied by respirometry using the nitrifying sludge from a laboratory-scale sequencing batch reactor. Modified models were used to estimate kinetics parameters of ammonia and nitrite oxidation under the effect of hydroxylamine. An inhibition effect of hydroxylamine on the ammonia oxidation was observed under different hydroxylamine concentration levels. The self-inhibition coefficient of hydroxylamine oxidation and noncompetitive inhibition coefficient of hydroxylamine for nitrite oxidation was estimated by simulating exogenous oxygen-uptake rate profiles, respectively. The inhibitive effect of NH2OH on nitrite-oxidizing bacteria was stronger than on ammonia-oxidizing bacteria. This work could provide fundamental data for the kinetic investigation of the nitrification process.

Two-step nitrification in a pure moving bed biofilm reactor-membrane bioreactor for wastewater treatment: nitrifying and denitrifying microbial populations and kinetic modeling.

PubMed

Leyva-Díaz, J C; González-Martínez, A; Muñío, M M; Poyatos, J M

2015-12-01

The moving bed biofilm reactor-membrane bioreactor (MBBR-MBR) is a novel solution to conventional activated sludge processes and membrane bioreactors. In this study, a pure MBBR-MBR was studied. The pure MBBR-MBR mainly had attached biomass. The bioreactor operated with a hydraulic retention time (HRT) of 9.5 h. The kinetic parameters for heterotrophic and autotrophic biomasses, mainly nitrite-oxidizing bacteria (NOB), were evaluated. The analysis of the bacterial community structure of the ammonium-oxidizing bacteria (AOB), NOB, and denitrifying bacteria (DeNB) from the pure MBBR-MBR was carried out by means of pyrosequencing to detect and quantify the contribution of the nitrifying and denitrifying bacteria in the total bacterial community. The relative abundance of AOB, NOB, and DeNB were 5, 1, and 3%, respectively, in the mixed liquor suspended solids (MLSS), and these percentages were 18, 5, and 2%, respectively, in the biofilm density (BD) attached to carriers. The pure MBBR-MBR had a high efficiency of total nitrogen (TN) removal of 71.81±16.04%, which could reside in the different bacterial assemblages in the fixed biofilm on the carriers. In this regard, the kinetic parameters for autotrophic biomass had values of YA=2.3465 mg O2 mg N(-1), μm, A=0.7169 h(-1), and KNH=2.0748 mg NL(-1).

Novel Solar Photocatalytic Reactor for Wastewater Treatment

NASA Astrophysics Data System (ADS)

Sutisna; Rokhmat, M.; Wibowo, E.; Murniati, R.; Khairurrijal; Abdullah, M.

2017-07-01

A new solar photocatalytic reactor (photoreactor) using TiO2 nanoparticles coated onto plastic granules has been designed. Catalyst granules are placed into the cavity of a reactor panel made of glass. A pump is used to circulate wastewater in the photoreactor. Methylene blue (MB) dissolved in water was chosen as the wastewater model. The performance of the photoreactor was evaluated based on changes in MB concentration with respect to time. The photoreactor showed a good performance by degrading 10 L of MB solution up to 96.54% after 48 h of solar irradiation. The photoreactor was scaled up by enlarging the panel area to twice its original size. The increase in the surface area of the reactor panel and therefore of the mass of catalyst granules and reactor volume led to a three-fold increase of the photodegradation rate. In addition, the MB degradation kinetics were also studied. Data analysis confirmed the applicability of the pseudo-first-order Langmuir-Hinshelwood model. The proposed photoreactor has great potential for use in large-scale wastewater treatment.

The near boiling reactor: Conceptual design of a small inherently safe nuclear reactor to extend the operational capability of the Victoria Class submarine

NASA Astrophysics Data System (ADS)

Cole, Christopher J. P.

Nuclear power has several unique advantages over other air independent energy sources for nuclear combat submarines. An inherently safe, small nuclear reactor, capable of supply the hotel load of the Victoria Class submarines, has been conceptually developed. The reactor is designed to complement the existing diesel electric power generation plant presently onboard the submarine. The reactor, rated at greater than 1 MW thermal, will supply electricity to the submarine's batteries through an organic Rankine cycle energy conversion plant at 200 kW. This load will increase the operational envelope of the submarine by providing up to 28 continuous days submerged, allowing for an enhanced indiscretion ratio (ratio of time spent on the surface versus time submerged) and a limited under ice capability. The power plant can be fitted into the existing submarine by inserting a 6 m hull plug. With its simplistic design and inherent safety features, the reactor plant will require a minimal addition to the crew. The reactor employs TRISO fuel particles for increased safety. The light water coolant remains at atmospheric pressure, exiting the core at 96°C. Burn-up control and limiting excess reactivity is achieved through movable reflector plates. Shut down and regulatory control is achieved through the thirteen hafnium control rods. Inherent safety is achieved through the negative prompt and delayed temperature coefficients, as well as the negative void coefficient. During a transient, the boiling of the moderator results in a sudden drop in reactivity, essentially shutting down the reactor. It is this characteristic after which the reactor has been named. The design of the reactor was achieved through modelling using computer codes such as MCNP5, WIMS-AECL, FEMLAB, and MicroShield5, in addition to specially written software for kinetics, heat transfer and fission product poisoning calculations. The work has covered a broad area of research and has highlighted additional areas

Automated startup of the MIT research reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwok, K.S.

1992-01-01

This summary describes the development, implementation, and testing of a generic method for performing automated startups of nuclear reactors described by space-independent kinetics under conditions of closed-loop digital control. The technique entails first obtaining a reliable estimate of the reactor's initial degree of subcriticality and then substituting that estimate into a model-based control law so as to permit a power increase from subcritical on a demanded trajectory. The estimation of subcriticality is accomplished by application of the perturbed reactivity method. The shutdown reactor is perturbed by the insertion of reactivity at a known rate. Observation of the resulting period permitsmore » determination of the initial degree of subcriticality. A major advantage to this method is that repeated estimates are obtained of the same quantity. Hence, statistical methods can be applied to improve the quality of the calculation.« less

MONTE CARLO SIMULATIONS OF PERIODIC PULSED REACTOR WITH MOVING GEOMETRY PARTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cao, Yan; Gohar, Yousry

2015-11-01

In a periodic pulsed reactor, the reactor state varies periodically from slightly subcritical to slightly prompt supercritical for producing periodic power pulses. Such periodic state change is accomplished by a periodic movement of specific reactor parts, such as control rods or reflector sections. The analysis of such reactor is difficult to perform with the current reactor physics computer programs. Based on past experience, the utilization of the point kinetics approximations gives considerable errors in predicting the magnitude and the shape of the power pulse if the reactor has significantly different neutron life times in different zones. To accurately simulate themore » dynamics of this type of reactor, a Monte Carlo procedure using the transfer function TRCL/TR of the MCNP/MCNPX computer programs is utilized to model the movable reactor parts. In this paper, two algorithms simulating the geometry part movements during a neutron history tracking have been developed. Several test cases have been developed to evaluate these procedures. The numerical test cases have shown that the developed algorithms can be utilized to simulate the reactor dynamics with movable geometry parts.« less

Energy transfer and kinetics in mechanochemistry.

PubMed

Chen, Zhiliang; Lu, Shengyong; Mao, Qiongjing; Buekens, Alfons; Wang, Yuting; Yan, Jianhua

2017-11-01

Mechanochemistry (MC) exerts extraordinary degradation and decomposition effects on many chlorinated, brominated, and even fluorinated persistent organic pollutants (POPs). However, its application is still limited by inadequate study of its reaction kinetic aspects. In the present work, the ball motion and energy transfer in planetary ball mill are investigated in some detail. Almost all milling parameters are summarised in a single factor-total effective impact energy. Furthermore, the MC kinetic between calcium oxide/Al and hexachlorobenzene is well established and modelled. The results indicate that total effective impact energy and reagent ratio are the two factors sufficient for describing the MC degradation degree of POPs. The reaction rate constant only depends on the chemical properties of reactants, so it could be used as an important index to appraise the quality of MC additives. This model successfully predicts the reaction rate for different operating conditions, indicating that it could be suitably applied for conducting MC reactions in other reactors.

Non-equilibrium plasma reactors for organic solvent destruction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, C.L.; Beltran, M.R.; Kravets, Z.

1997-12-31

Two non-equilibrium plasma reactors were evaluated for their ability to destroy three widely used organic solvents, i.e., 2-butanone, toluene and ethyl acetate. The catalyzed plasma reactor (CPR) with 6 mm glass beads destroys 98% of 50 ppm toluene in air at 24 kV/cm and space velocities of 1,400 v/v/hr. Eighty-five percent of ethyl acetate and 2-butanone are destroyed under the same conditions. The tubular plasma reactor (TPR) has an efficiency of 10% to 20% lower than that of a CPR under the same conditions. The 1,400 v/v/hr in a CPR is equal to a residence time of 2.6 seconds inmore » a TPR. The operating temperatures, corona characteristics, as well as the kinetics of VOC destruction in both TPR and CPR were studied.« less

Enzyme-Embedded, Microstructural Reactors for Industrial Biocatalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baker, Sarah E.; Knipe, J. M.; Oakdale, J.

In this project we explored enzyme-catalyzed methane conversion to methanol. Industrial biological approaches to methane conversion using whole organisms are predicted to be more energy efficient than chemical approaches, but are limited by mass transfer of the gas phase reactants, methane and oxygen, to the organisms. We demonstrated that 3D printing the enzyme particulate Methane Mono Oxygenase (pMMO) embedded in a polymer can improve the kinetics of methane to methanol conversion. This improvement was likely due to the ability to increase the surface area of the catalytic material using 3D printing. We also demonstrated the first continuous use of pMMOmore » in a flow-through reactor. In order to understand the fundamental kinetic properties of pMMO, we conducted an in-depth study of pMMO kinetics using analytical tools developed in our lab. Finally, we developed a new copolymer system that allowed tuning of the gas permeability of the biocatalytic material.« less

Microbial community composition of a multi-stage moving bed biofilm reactor and its interaction with kinetic model parameters estimation.

PubMed

Wang, Xiaodong; Bi, Xuejun; Hem, Lars John; Ratnaweera, Harsha

2018-07-15

Microbial community diversity determines the function of each chamber of multi-stage moving bed biofilm reactor (MBBR) systems. How the microbial community data can be further used to serve wastewater treatment process modelling and optimization has been rarely studied. In this study, a MBBR system was set up to investigate the microbial community diversity of biofilm in each functional chamber. The compositions of microbial community of biofilm from different chambers of MBBR were quantified by high-throughput sequencing. Significantly higher proportion of autotrophs were found in the second aerobic chamber (15.4%), while 4.3% autotrophs were found in the first aerobic chamber. Autotrophs in anoxic chamber were negligible. Moreover, ratios of active heterotrophic biomass and autotrophic biomass (X H /X A ) were obtained by performing respiration tests. By setting heterotroph/autotroph ratios obtained from sequencing analysis equal to X H /X A , a novel approach for kinetic model parameters estimation was developed. This work not only investigated microbial community of MBBR system, but also it provided an approach to make further use of molecular microbiology analysis results. Copyright © 2018 Elsevier Ltd. All rights reserved.

Dynamic Response Testing in an Electrically Heated Reactor Test Facility

NASA Astrophysics Data System (ADS)

Bragg-Sitton, Shannon M.; Morton, T. J.

2006-01-01

Non-nuclear testing can be a valuable tool in the development of a space nuclear power or propulsion system. In a non-nuclear test bed, electric heaters are used to simulate the heat from nuclear fuel. Standard testing allows one to fully assess thermal, heat transfer, and stress related attributes of a given system, but fails to demonstrate the dynamic response that would be present in an integrated, fueled reactor system. The integration of thermal hydraulic hardware tests with simulated neutronic response provides a bridge between electrically heated testing and fueled nuclear testing. By implementing a neutronic response model to simulate the dynamic response that would be expected in a fueled reactor system, one can better understand system integration issues, characterize integrated system response times and response characteristics, and assess potential design improvements at a relatively small fiscal investment. Initial system dynamic response testing was demonstrated on the integrated SAFE-100a heat pipe (HP) cooled, electrically heated reactor and heat exchanger hardware, utilizing a one-group solution to the point kinetics equations to simulate the expected neutronic response of the system. Reactivity feedback calculations were then based on a bulk reactivity feedback coefficient and measured average core temperature. This paper presents preliminary results from similar dynamic testing of a direct drive gas cooled reactor system (DDG), demonstrating the applicability of the testing methodology to any reactor type and demonstrating the variation in system response characteristics in different reactor concepts. Although the HP and DDG designs both utilize a fast spectrum reactor, the method of cooling the reactor differs significantly, leading to a variable system response that can be demonstrated and assessed in a non-nuclear test facility. Planned system upgrades to allow implementation of higher fidelity dynamic testing are also discussed. Proposed DDG

Modeling fixed and fluidized reactors for cassava starch Saccharification with immobilized enzyme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zanin, G.M.; De Moraes, F.F.

1997-12-31

Cassava starch saccharification in fixed-and fluidized-bed reactors using immobilized enzyme was modeled in a previous paper using a simple model in which all dextrins were grouped in a single substrate. In that case, although good fit of the model to experimental data was obtained, physical inconsistency appeared as negative kinetic constants. In this work, a multisubstrate model, developed earlier for saccharification with free enzyme, is adapted for immobilized enzyme. This latter model takes into account the formation of intermediate substrates, which are dextrins competing for the catalytic site of the enzyme, reversibility of some reactions, inhibition by substrate and product,more » and the formation of isomaltose. Kinetic parameters to be used with this model were obtained from initial velocity saccharification tests using the immobilized enzyme and different liquefied starch concentrations. The new model was found to be valid for modeling both fixed- and fluidized-bed reactors. It did not present inconsistencies as the earlier one had and has shown that apparent glucose inhibition is about seven times higher in the fixed-bed than in fluidized-bed reactor. 13 refs., 5 figs., 1 tab.« less

On the Effectiveness of Wastewater Cylindrical Reactors: an Analysis Through Steiner Symmetrization

NASA Astrophysics Data System (ADS)

Díaz, J. I.; Gómez-Castro, D.

2016-03-01

The mathematical analysis of the shape of chemical reactors is studied in this paper through the research of the optimization of its effectiveness η such as introduced by R. Aris around 1960. Although our main motivation is the consideration of reactors specially designed for the treatment of wastewaters our results are relevant also in more general frameworks. We simplify the modeling by assuming a single chemical reaction with a monotone kinetics leading to a parabolic equation with a non-necessarily differentiable function. In fact we consider here the case of a single, non-reversible catalysis reaction of chemical order q, 0kinetics is given by β (w)=λ wq for some λ >0). We assume the chemical reactor of cylindrical shape Ω =G× (0,H) with G and open regular set of {R}2 not necessarily symmetric. We show that among all the sections G with prescribed area the ball is the set of lowest effectiveness η (t,G). The proof uses the notions of Steiner rearrangement. Finally, we show that if the height H is small enough then the effectiveness can be made as close to 1 as desired.

Kinetics of D-lactic acid production by Sporolactobacillus sp. strain CASD using repeated batch fermentation.

PubMed

Zhao, Bo; Wang, Limin; Li, Fengsong; Hua, Dongliang; Ma, Cuiqing; Ma, Yanhe; Xu, Ping

2010-08-01

D-lactic acid was produced by Sporolactobacillus sp. strain CASD in repeated batch fermentation with one- and two-reactor systems. The strain showed relatively high energy consumption in its growth-related metabolism in comparison with other lactic acid producers. When the fermentation was repeated with 10% (v/v) of previous culture to start a new batch, D-lactic acid production shifted from being cell-maintenance-dependent to cell-growth-dependent. In comparison with the one-reactor system, D-lactic acid production increased approximately 9% in the fourth batch of the two-reactor system. Strain CASD is an efficient D-lactic acid producer with increased growth rate at the early stage of repeated cycles, which explains the strain's physiological adaptation to repeated batch culture and improved performance in the two-reactor fermentation system. From a kinetic point of view, two-reactor fermentation system was shown to be an alternative for conventional one-reactor repeated batch operation. Copyright 2010 Elsevier Ltd. All rights reserved.

Laser or charged-particle-beam fusion reactor with direct electric generation by magnetic flux compression

DOEpatents

Lasche, George P.

1988-01-01

A high-power-density laser or charged-particle-beam fusion reactor system maximizes the directed kinetic energy imparted to a large mass of liquid lithium by a centrally located fusion target. A fusion target is embedded in a large mass of lithium, of sufficient radius to act as a tritium breeding blanket, and provided with ports for the access of beam energy to implode the target. The directed kinetic energy is converted directly to electricity with high efficiency by work done against a pulsed magnetic field applied exterior to the lithium. Because the system maximizes the blanket thickness per unit volume of lithium, neutron-induced radioactivities in the reaction chamber wall are several orders of magnitude less than is typical of other fusion reactor systems.

Laser or charged-particle-beam fusion reactor with direct electric generation by magnetic flux compression

DOEpatents

Lasche, G.P.

1987-02-20

A high-power-density-laser or charged-particle-beam fusion reactor system maximizes the directed kinetic energy imparted to a large mass of liquid lithium by a centrally located fusion target. A fusion target is embedded in a large mass of lithium, of sufficient radius to act as a tritium breeding blanket, and provided with ports for the access of beam energy to implode the target. The directed kinetic energy is converted directly to electricity with high efficiency by work done against a pulsed magnetic field applied exterior to the lithium. Because the system maximizes the blanket thickness per unit volume of lithium, neutron-induced radioactivities in the reaction chamber wall are several orders of magnitude less than is typical of other fusion reactor systems. 25 figs.

Assessment of start-up mechanisms for anaerobic fluidized bed reactor in series based on mathematical simulation

NASA Astrophysics Data System (ADS)

Sudibyo, Hanifrahmawan; Guntama, Dody; Budhijanto, Wiratni

2017-05-01

Anaerobic digestion is associated with long hydraulic residence time and hence leads to huge reactor volume, especially for high rate input to the reactor. To overcome this major drawback, one of the possibilities is optimizing the schemes of reactor configuration and start-up mechanisms. This study aimed to determine the most promising start-up mechanism for anaerobic digestion reactors in series, with respect to the shortest hydraulic residence time to reach the highest biogas production rate. The reactor to be studied is anaerobic fluidized bed reactor (AFBR) which is known as the most efficient reactor for high organic loading rate. Case to be studied is landfill leachate digestion. Although reactor optimization can be conducted experimentally, it could be expensive and time consuming. This study proposed the utilization of mathematical modeling to screen the possibilities towards the best options to be verified experimentally. Kinetic study of landfill leachate anaerobic digestion was first conducted to depict the rate of microbial growth and the rate of substrate consumption. Kinetics constants obtained from this batch experiment were then used in the mathematical model representing AFBR. Several mechanisms were simulated in this study. In the first mechanism, all digesters were started simultaneously. In the second mechanism, each digester was started until it achieved steady-state condition before the next digester was started. The third mechanism was start-up scenario for single reactor as opposed to the previous two mechanisms. These all three mechanisms were simulated for either one-through stream and recycling a portion of the reactor effluent. The mathematical simulation result was used to evaluate each mechanism based on hydraulic residence time required for all digesters in series to reach the steady-state condition, the extent of pollutant removal, and the rate of biogas production. In the need of high sCOD removal, the second mechanism emerged as

2D Kinetic Particle in Cell Simulations of a Shear-Flow Stabilized Z-Pinch

NASA Astrophysics Data System (ADS)

Tummel, Kurt; Higginson, Drew; Schmidt, Andrea; Link, Anthony; McLean, Harry; Shumlak, Uri; Nelson, Brian; Golingo, Raymond; Claveau, Elliot; Lawrence Livermore National Lab Team; University of Washington Team

2016-10-01

The Z-pinch is a relatively simple and attractive potential fusion reactor design, but attempts to develop such a reactor have consistently struggled to overcome Z-pinch instabilities. The ``sausage'' and ``kink'' modes are among the most robust and prevalent Z-pinch instabilities, but theory and simulations suggest that axial flow-shear, dvz / dr ≠ 0 , can suppress these modes. Experiments have confirmed that Z-pinch plasmas with embedded axial flow-shear display a significantly enhanced resilience to the sausage and kink modes at a demonstration current of 50kAmps. A new experiment is under way to test the concept at higher current, and efforts to model these plasmas are being expanded. The performance and stability of these devices will depend on features like the plasma viscosity, anomalous resistivity, and finite Larmor radius effects, which are most accurately characterized in kinetic models. To predict these features, kinetic simulations using the particle in cell code LSP are now in development, and initial benchmarking and 2D stability analyses of the sausage mode are presented here. These results represent the first kinetic modeling of the flow-shear stabilized Z-pinch. This work is funded by the USDOE/ARPAe Alpha Program. Prepared by LLNL under Contract DE-AC52-07NA27344.

Spectral Quasi-Equilibrium Manifold for Chemical Kinetics.

PubMed

Kooshkbaghi, Mahdi; Frouzakis, Christos E; Boulouchos, Konstantinos; Karlin, Iliya V

2016-05-26

The Spectral Quasi-Equilibrium Manifold (SQEM) method is a model reduction technique for chemical kinetics based on entropy maximization under constraints built by the slowest eigenvectors at equilibrium. The method is revisited here and discussed and validated through the Michaelis-Menten kinetic scheme, and the quality of the reduction is related to the temporal evolution and the gap between eigenvalues. SQEM is then applied to detailed reaction mechanisms for the homogeneous combustion of hydrogen, syngas, and methane mixtures with air in adiabatic constant pressure reactors. The system states computed using SQEM are compared with those obtained by direct integration of the detailed mechanism, and good agreement between the reduced and the detailed descriptions is demonstrated. The SQEM reduced model of hydrogen/air combustion is also compared with another similar technique, the Rate-Controlled Constrained-Equilibrium (RCCE). For the same number of representative variables, SQEM is found to provide a more accurate description.

Biodegradation of tech-hexachlorocyclohexane in a upflow anaerobic sludge blanket (UASB) reactor.

PubMed

Bhat, Praveena; Kumar, M Suresh; Mudliar, Sandeep N; Chakrabarti, T

2006-04-01

Biodegradability of technical grade hexachlorocyclohexane (tech-HCH) was studied in an upflow anaerobic sludge blanket reactor (UASB) under continuous mode of operation in concentration range of 100-200 mg/l and constant HRT of 48 h. At steady state operation more than 85% removal of tech-HCH (upto 175 mg/l concentration) and complete disappearance of beta-HCH was observed. Kinetic constants in terms of maximum specific tech-HCH utilization rate (k) and half saturation velocity constant (K(L)) were found to be 11.88 mg/g/day and 8.11 mg/g/day, respectively. The tech-HCH degrading seed preparation, UASB reactor startup and degradation in continuous mode of operation of the reactor is presented in this paper.

Calibration and verification of models of organic carbon removal kinetics in Aerated Submerged Fixed-Bed Biofilm Reactors (ASFBBR): a case study of wastewater from an oil-refinery.

PubMed

Trojanowicz, Karol; Wójcik, Włodzimierz

2011-01-01

The article presents a case-study on the calibration and verification of mathematical models of organic carbon removal kinetics in biofilm. The chosen Harremöes and Wanner & Reichert models were calibrated with a set of model parameters obtained both during dedicated studies conducted at pilot- and lab-scales for petrochemical wastewater conditions and from the literature. Next, the models were successfully verified through studies carried out utilizing a pilot ASFBBR type bioreactor installed in an oil-refinery wastewater treatment plant. During verification the pilot biofilm reactor worked under varying surface organic loading rates (SOL), dissolved oxygen concentrations and temperatures. The verification proved that the models can be applied in practice to petrochemical wastewater treatment engineering for e.g. biofilm bioreactor dimensioning.

Biodegradation kinetics of picric acid by Rhodococcus sp.NJUST16 in batch reactors.

PubMed

Shen, Jinyou; He, Rui; Wang, Lianjun; Zhang, Jianfa; Zuo, Yi; Li, Yanchun; Sun, Xiuyun; Li, Jiansheng; Han, Weiqing

2009-08-15

Biological degradation of 2,4,6-trinitrophenol (TNP) by Rhodococcus sp.NJUST16 in mineral salt medium was investigated in shake-flask experiments at pH of 7.0 and 30 degrees C, over a wide range of initial TNP concentration (20-800 mgl(-1)). The TNP was observed to be the inhibitory compound. For the studied concentration range, Haldane's model could be fitted to the growth kinetics data well with the kinetic constants mu(max)=0.2362 h(-1), K(s)=9.9131 mgl(-1) and K(i)=362.7411 mgl(-1). Further, the variation of observed yield coefficient Y with initial TNP concentration and the decay coefficient were investigated. It is our view that the above information would be useful for modeling and designing the units treating TNP-containing wastewaters.

Design and analysis of a nuclear reactor core for innovative small light water reactors

NASA Astrophysics Data System (ADS)

Soldatov, Alexey I.

In order to address the energy needs of developing countries and remote communities, Oregon State University has proposed the Multi-Application Small Light Water Reactor (MASLWR) design. In order to achieve five years of operation without refueling, use of 8% enriched fuel is necessary. This dissertation is focused on core design issues related with increased fuel enrichment (8.0%) and specific MASLWR operational conditions (such as lower operational pressure and temperature, and increased leakage due to small core). Neutron physics calculations are performed with the commercial nuclear industry tools CASMO-4 and SIMULATE-3, developed by Studsvik Scandpower Inc. The first set of results are generated from infinite lattice level calculations with CASMO-4, and focus on evaluation of the principal differences between standard PWR fuel and MASLWR fuel. Chapter 4-1 covers aspects of fuel isotopic composition changes with burnup, evaluation of kinetic parameters and reactivity coefficients. Chapter 4-2 discusses gadolinium self-shielding and shadowing effects, and subsequent impacts on power generation peaking and Reactor Control System shadowing. The second aspect of the research is dedicated to core design issues, such as reflector design (chapter 4-3), burnable absorber distribution and programmed fuel burnup and fuel use strategy (chapter 4-4). This section also includes discussion of the parameters important for safety and evaluation of Reactor Control System options for the proposed core design. An evaluation of the sensitivity of the proposed design to uncertainty in calculated parameters is presented in chapter 4-5. The results presented in this dissertation cover a new area of reactor design and operational parameters, and may be applicable to other small and large pressurized water reactor designs.

Effect of temperature on kinetics of biogas production from macroalgae.

PubMed

Membere, Edward; Sallis, Paul

2018-05-08

An assessment was carried out on the effect of temperature on the anaerobic digestion of Laminaria digitata biomass, in batch reactors (25, 35, 45 and 55 °C) with a hydraulic retention time of 40 days. The first order, modified Gompertz and logistics models were used to obtain the kinetic parameters of the biogas production process. Results indicate the chemical composition of the algae substrate could be written as C 316 H 613 O 289 N 13 S 1 , with a theoretical methane yield of 336 ± 0.86 L CH 4  kg VS -1 . Experimental methane yield obtained from the reactors for 25, 35, 45, and 55 °C were 318 ± 1.58, 293 ± 1.11, 271 ± 0.98 and 352 ± 0.63 mL CH 4 /gVS respectively. Their R 2  > 0.90 indicate both models fits well for predicating kinetics of methane production. The lowest k h (0.31), high biodegradability index (0.96) and lag time (9.3-11.7 days) were obtained for 55 °C. Copyright © 2018 Elsevier Ltd. All rights reserved.

Tetrafluoroethane (R134a) hydrate formation within variable volume reactor accompanied by evaporation and condensation.

PubMed

Jeong, K; Choo, Y S; Hong, H J; Yoon, Y S; Song, M H

2015-03-01

Vast size hydrate formation reactors with fast conversion rate are required for the economic implementation of seawater desalination utilizing gas hydrate technology. The commercial target production rate is order of thousand tons of potable water per day per train. Various heat and mass transfer enhancement schemes including agitation, spraying, and bubbling have been examined to maximize the production capacities in scaled up design of hydrate formation reactors. The present experimental study focused on acquiring basic knowledge needed to design variable volume reactors to produce tetrafluoroethane hydrate slurry. Test vessel was composed of main cavity with fixed volume of 140 ml and auxiliary cavity with variable volume of 0 ∼ 64 ml. Temperatures at multiple locations within vessel and pressure were monitored while visual access was made through front window. Alternating evaporation and condensation induced by cyclic volume change provided agitation due to density differences among water and vapor, liquid and hydrate R134a as well as extended interface area, which improved hydrate formation kinetics coupled with latent heat release and absorption. Influences of coolant temperature, piston stroke/speed, and volume change period on hydrate formation kinetics were investigated. Suggestions of reactor design improvement for future experimental study are also made.

Tetrafluoroethane (R134a) hydrate formation within variable volume reactor accompanied by evaporation and condensation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jeong, K.; Choo, Y. S.; Hong, H. J.

Vast size hydrate formation reactors with fast conversion rate are required for the economic implementation of seawater desalination utilizing gas hydrate technology. The commercial target production rate is order of thousand tons of potable water per day per train. Various heat and mass transfer enhancement schemes including agitation, spraying, and bubbling have been examined to maximize the production capacities in scaled up design of hydrate formation reactors. The present experimental study focused on acquiring basic knowledge needed to design variable volume reactors to produce tetrafluoroethane hydrate slurry. Test vessel was composed of main cavity with fixed volume of 140 mlmore » and auxiliary cavity with variable volume of 0 ∼ 64 ml. Temperatures at multiple locations within vessel and pressure were monitored while visual access was made through front window. Alternating evaporation and condensation induced by cyclic volume change provided agitation due to density differences among water and vapor, liquid and hydrate R134a as well as extended interface area, which improved hydrate formation kinetics coupled with latent heat release and absorption. Influences of coolant temperature, piston stroke/speed, and volume change period on hydrate formation kinetics were investigated. Suggestions of reactor design improvement for future experimental study are also made.« less

Effective delayed neutron fraction and prompt neutron lifetime of Tehran research reactor mixed-core.

PubMed

Lashkari, A; Khalafi, H; Kazeminejad, H

2013-05-01

In this work, kinetic parameters of Tehran research reactor (TRR) mixed cores have been calculated. The mixed core configurations are made by replacement of the low enriched uranium control fuel elements with highly enriched uranium control fuel elements in the reference core. The MTR_PC package, a nuclear reactor analysis tool, is used to perform the analysis. Simulations were carried out to compute effective delayed neutron fraction and prompt neutron lifetime. Calculation of kinetic parameters is necessary for reactivity and power excursion transient analysis. The results of this research show that effective delayed neutron fraction decreases and prompt neutron lifetime increases with the fuels burn-up. Also, by increasing the number of highly enriched uranium control fuel elements in the reference core, the prompt neutron lifetime increases, but effective delayed neutron fraction does not show any considerable change.

Effective delayed neutron fraction and prompt neutron lifetime of Tehran research reactor mixed-core

PubMed Central

Lashkari, A.; Khalafi, H.; Kazeminejad, H.

2013-01-01

In this work, kinetic parameters of Tehran research reactor (TRR) mixed cores have been calculated. The mixed core configurations are made by replacement of the low enriched uranium control fuel elements with highly enriched uranium control fuel elements in the reference core. The MTR_PC package, a nuclear reactor analysis tool, is used to perform the analysis. Simulations were carried out to compute effective delayed neutron fraction and prompt neutron lifetime. Calculation of kinetic parameters is necessary for reactivity and power excursion transient analysis. The results of this research show that effective delayed neutron fraction decreases and prompt neutron lifetime increases with the fuels burn-up. Also, by increasing the number of highly enriched uranium control fuel elements in the reference core, the prompt neutron lifetime increases, but effective delayed neutron fraction does not show any considerable change. PMID:24976672

Kinetic Modeling of Polychlorinated Dibenzo-p-dioxin and Dibenzofuran Formation Based on Carbon Degradation Reactions

EPA Science Inventory

Combustion experiments in a laboratory-scale fixed bed reactor were performed to determine the role of temperature and time in PCDD/F formation allowing a global kinetic expression to be written for PCDD/F formation due to soot oxidation in fly ash deposits. Rate constants were c...

Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ke, Huibin; Wells, Peter; Edmondson, Philip D.

Formation of large volume fractions of Mn-Ni-Si precipitates (MNSPs) causes excess irradiation embrittlement of reactor pressure vessel (RPV) steels at high, extended-life fluences. Thus, a new and unique, semi-empirical cluster dynamics model was developed to study the evolution of MNSPs in low-Cu RPV steels. The model is based on CALPHAD thermodynamics and radiation enhanced diffusion kinetics. The thermodynamics dictates the compositional and temperature dependence of the free energy reductions that drive precipitation. The model treats both homogeneous and heterogeneous nucleation, where the latter occurs on cascade damage, like dislocation loops. The model has only four adjustable parameters that were fitmore » to an atom probe tomography (APT) database. The model predictions are in semi-quantitative agreement with systematic Mn, Ni and Si composition variations in alloys characterized by APT, including a sensitivity to local tip-to-tip variations even in the same steel. The model predicts that heterogeneous nucleation plays a critical role in MNSP formation in lower alloy Ni contents. Single variable assessments of compositional effects show that Ni plays a dominant role, while even small variations in irradiation temperature can have a large effect on the MNSP evolution. Within typical RPV steel ranges, Mn and Si have smaller effects. Furthermore, the delayed but then rapid growth of MNSPs to large volume fractions at high fluence is well predicted by the model. For purposes of illustration, the effect of MNSPs on transition temperature shifts are presented based on well-established microstructure-property and property-property models.« less

Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels

DOE PAGES

Ke, Huibin; Wells, Peter; Edmondson, Philip D.; ...

2017-07-12

Formation of large volume fractions of Mn-Ni-Si precipitates (MNSPs) causes excess irradiation embrittlement of reactor pressure vessel (RPV) steels at high, extended-life fluences. Thus, a new and unique, semi-empirical cluster dynamics model was developed to study the evolution of MNSPs in low-Cu RPV steels. The model is based on CALPHAD thermodynamics and radiation enhanced diffusion kinetics. The thermodynamics dictates the compositional and temperature dependence of the free energy reductions that drive precipitation. The model treats both homogeneous and heterogeneous nucleation, where the latter occurs on cascade damage, like dislocation loops. The model has only four adjustable parameters that were fitmore » to an atom probe tomography (APT) database. The model predictions are in semi-quantitative agreement with systematic Mn, Ni and Si composition variations in alloys characterized by APT, including a sensitivity to local tip-to-tip variations even in the same steel. The model predicts that heterogeneous nucleation plays a critical role in MNSP formation in lower alloy Ni contents. Single variable assessments of compositional effects show that Ni plays a dominant role, while even small variations in irradiation temperature can have a large effect on the MNSP evolution. Within typical RPV steel ranges, Mn and Si have smaller effects. Furthermore, the delayed but then rapid growth of MNSPs to large volume fractions at high fluence is well predicted by the model. For purposes of illustration, the effect of MNSPs on transition temperature shifts are presented based on well-established microstructure-property and property-property models.« less

Kinetic modelling and microbial community assessment of anaerobic biphasic fixed film bioreactor treating distillery spent wash.

PubMed

Acharya, Bhavik K; Pathak, Hilor; Mohana, Sarayu; Shouche, Yogesh; Singh, Vasdev; Madamwar, Datta

2011-08-01

Anaerobic digestion, microbial community structure and kinetics were studied in a biphasic continuously fed, upflow anaerobic fixed film reactor treating high strength distillery wastewater. Treatment efficiency of the bioreactor was investigated at different hydraulic retention times (HRT) and organic loading rates (OLR 5-20 kg COD m⁻³ d⁻¹). Applying the modified Stover-Kincannon model to the reactor, the maximum removal rate constant (U(max)) and saturation value constant (K(B)) were found to be 2 kg m⁻³ d⁻¹ and 1.69 kg m⁻³ d⁻¹ respectively. Bacterial community structures of acidogenic and methanogenic reactors were assessed using culture-independent analyses. Sequencing of 16S rRNA genes exhibited a total of 123 distinct operational taxonomic units (OTUs) comprising 49 from acidogenic reactor and 74 (28 of eubacteria and 46 of archaea) from methanogenic reactor. The findings reveal the role of Lactobacillus sp. (Firmicutes) as dominant acid producing organisms in acidogenic reactor and Methanoculleus sp. (Euryarchaeotes) as foremost methanogens in methanogenic reactor. Copyright © 2011 Elsevier Ltd. All rights reserved.

Kinetics of Chronic Oxidation of NBG-17 Nuclear Graphite by Water Vapor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Contescu, Cristian I; Burchell, Timothy D; Mee, Robert

2015-05-01

This report presents the results of kinetic measurements during accelerated oxidation tests of NBG-17 nuclear graphite by low concentration of water vapor and hydrogen in ultra-high purity helium. The objective is to determine the parameters in the Langmuir-Hinshelwood (L-H) equation describing the oxidation kinetics of nuclear graphite in the helium coolant of high temperature gas-cooled reactors (HTGR). Although the helium coolant chemistry is strictly controlled during normal operating conditions, trace amounts of moisture (predictably < 0.2 ppm) cannot be avoided. Prolonged exposure of graphite components to water vapor at high temperature will cause very slow (chronic) oxidation over the lifetimemore » of graphite components. This behavior must be understood and predicted for the design and safe operation of gas-cooled nuclear reactors. The results reported here show that, in general, oxidation by water of graphite NBG-17 obeys the L-H mechanism, previously documented for other graphite grades. However, the characteristic kinetic parameters that best describe oxidation rates measured for graphite NBG-17 are different than those reported previously for grades H-451 (General Atomics, 1978) and PCEA (ORNL, 2013). In some specific conditions, certain deviations from the generally accepted L-H model were observed for graphite NBG-17. This graphite is manufactured in Germany by SGL Carbon Group and is a possible candidate for the fuel elements and reflector blocks of HTGR.« less

Small-volume, ultrahigh-vacuum-compatible high-pressure reaction cell for combined kinetic and in situ IR spectroscopic measurements on planar model catalysts

NASA Astrophysics Data System (ADS)

Zhao, Z.; Diemant, T.; Häring, T.; Rauscher, H.; Behm, R. J.

2005-12-01

We describe the design and performance of a high-pressure reaction cell for simultaneous kinetic and in situ infrared reflection (IR) spectroscopic measurements on model catalysts at elevated pressures, between 10-3 and 103mbars, which can be operated both as batch reactor and as flow reactor with defined gas flow. The cell is attached to an ultrahigh-vacuum (UHV) system, which is used for sample preparation and also contains facilities for sample characterization. Specific for this design is the combination of a small cell volume, which allows kinetic measurements with high sensitivity under batch or continuous flow conditions, the complete isolation of the cell from the UHV part during UHV measurements, continuous temperature control during both UHV and high-pressure operation, and rapid transfer between UHV and high-pressure stage. Gas dosing is performed by a designed gas-handling system, which allows operation as flow reactor with calibrated gas flows at adjustable pressures. To study the kinetics of reactions on the model catalysts, a quadrupole mass spectrometer is connected to the high-pressure cell. IR measurements are possible in situ by polarization-modulation infrared reflection-absorption spectroscopy, which also allows measurements at elevated pressures. The performance of the setup is demonstrated by test measurements on the kinetics for CO oxidation and the CO adsorption on a Au /TiO2/Ru(0001) model catalyst film at 1-50 mbar total pressure.

A physiologically based kinetic model for bacterial sulfide oxidation.

PubMed

Klok, Johannes B M; de Graaff, Marco; van den Bosch, Pim L F; Boelee, Nadine C; Keesman, Karel J; Janssen, Albert J H

2013-02-01

In the biotechnological process for hydrogen sulfide removal from gas streams, a variety of oxidation products can be formed. Under natron-alkaline conditions, sulfide is oxidized by haloalkaliphilic sulfide oxidizing bacteria via flavocytochrome c oxidoreductase. From previous studies, it was concluded that the oxidation-reduction state of cytochrome c is a direct measure for the bacterial end-product formation. Given this physiological feature, incorporation of the oxidation state of cytochrome c in a mathematical model for the bacterial oxidation kinetics will yield a physiologically based model structure. This paper presents a physiologically based model, describing the dynamic formation of the various end-products in the biodesulfurization process. It consists of three elements: 1) Michaelis-Menten kinetics combined with 2) a cytochrome c driven mechanism describing 3) the rate determining enzymes of the respiratory system of haloalkaliphilic sulfide oxidizing bacteria. The proposed model is successfully validated against independent data obtained from biological respiration tests and bench scale gas-lift reactor experiments. The results demonstrate that the model is a powerful tool to describe product formation for haloalkaliphilic biomass under dynamic conditions. The model predicts a maximum S⁰ formation of about 98 mol%. A future challenge is the optimization of this bioprocess by improving the dissolved oxygen control strategy and reactor design. Copyright © 2012 Elsevier Ltd. All rights reserved.

Sample Handling and Chemical Kinetics in an Acoustically Levitated Drop Microreactor

PubMed Central

2009-01-01

Accurate measurement of enzyme kinetics is an essential part of understanding the mechanisms of biochemical reactions. The typical means of studying such systems use stirred cuvettes, stopped-flow apparatus, microfluidic systems, or other small sample containers. These methods may prove to be problematic if reactants or products adsorb to or react with the container’s surface. As an alternative approach, we have developed an acoustically-levitated drop reactor eventually intended to study enzyme-catalyzed reaction kinetics related to free radical and oxidative stress chemistry. Microliter-scale droplet generation, reactant introduction, maintenance, and fluid removal are all important aspects in conducting reactions in a levitated drop. A three capillary bundle system has been developed to address these needs. We report kinetic measurements for both luminol chemiluminescence and the reaction of pyruvate with nicotinamide adenine dinucleotide, catalyzed by lactate dehydrogenase, to demonstrate the feasibility of using a levitated drop in conjunction with the developed capillary sample handling system as a microreactor. PMID:19769373

Electro-hydrodynamics and kinetic modelling of polluted air flow activated by multi-tip-to-plane corona discharge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meziane, M.; Eichwald, O.; Ducasse, O.

The present paper is devoted to the 2D simulation of an Atmospheric Corona Discharge Reactor (ACDR) involving 10 pins powered by a DC high voltage and positioned 7 mm above a grounded metallic plane. The corona reactor is periodically crossed by thin mono filamentary streamers with a natural repetition frequency of some tens of kHz. The simulation involves the electro-dynamic, chemical kinetic, and neutral gas hydrodynamic phenomena that influence the kinetics of the chemical species transformation. Each discharge stage (including the primary and the secondary streamers development and the resulting thermal shock) lasts about one hundred nanoseconds while the post-dischargemore » stages occurring between two successive discharge phases last one hundred microseconds. The ACDR is crossed by a lateral air flow including 400 ppm of NO. During the considered time scale of 10 ms, one hundred discharge/post-discharge cycles are simulated. The simulation involves the radical formation and thermal exchange between the discharges and the background gas. The results show how the successive discharges activate the flow gas and how the induced turbulence phenomena affect the redistribution of the thermal energy and the chemical kinetics inside the ACDR.« less

Impact of nonabsorbing control rod tips on kinetics feedback for BWR turbine trip without bypass RETRAN-03 analyses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feltus, M.A.; Knerr, R.; Shoop, U.

1993-01-01

RETRAN-03 studies were performed for the boiling water reactor (BWR) turbine trip without bypass (TTWOB) event to investigate how the non-neutron-absorbing material on control rod tips affect scram delay timing and reactivity feedback. Scram delay, Doppler temperature, and moderator void (density) feedback were varied to assess their relative impact on kinetics behavior. Although a generic point-kinetics RETRAN-03 TTWOB model 2 was employed, actual plant information was used to develop the basic and parametric cases.

Modelling of slaughterhouse solid waste anaerobic digestion: determination of parameters and continuous reactor simulation.

PubMed

López, Iván; Borzacconi, Liliana

2010-10-01

A model based on the work of Angelidaki et al. (1993) was applied to simulate the anaerobic biodegradation of ruminal contents. In this study, two fractions of solids with different biodegradation rates were considered. A first-order kinetic was used for the easily biodegradable fraction and a kinetic expression that is function of the extracellular enzyme concentration was used for the slowly biodegradable fraction. Batch experiments were performed to obtain an accumulated methane curve that was then used to obtain the model parameters. For this determination, a methodology derived from the "multiple-shooting" method was successfully used. Monte Carlo simulations allowed a confidence range to be obtained for each parameter. Simulations of a continuous reactor were performed using the optimal set of model parameters. The final steady-states were determined as functions of the operational conditions (solids load and residence time). The simulations showed that methane flow peaked at a flow rate of 0.5-0.8 Nm(3)/d/m(reactor)(3) at a residence time of 10-20 days. Simulations allow the adequate selection of operating conditions of a continuous reactor. (c) 2010 Elsevier Ltd. All rights reserved.

Initial verification and validation of RAZORBACK - A research reactor transient analysis code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Talley, Darren G.

2015-09-01

This report describes the work and results of the initial verification and validation (V&V) of the beta release of the Razorback code. Razorback is a computer code designed to simulate the operation of a research reactor (such as the Annular Core Research Reactor (ACRR)) by a coupled numerical solution of the point reactor kinetics equations, the energy conservation equation for fuel element heat transfer, and the mass, momentum, and energy conservation equations for the water cooling of the fuel elements. This initial V&V effort was intended to confirm that the code work to-date shows good agreement between simulation and actualmore » ACRR operations, indicating that the subsequent V&V effort for the official release of the code will be successful.« less

Kinetic parameters of the GUINEVERE reference configuration in VENUS-F reactor obtained from a pile noise experiment using Rossi and Feynman methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Geslot, Benoit; Pepino, Alexandra; Blaise, Patrick

A pile noise measurement campaign has been conducted by the CEA in the VENUS-F reactor (SCK-CEN, Mol Belgium) in April 2011 in the reference critical configuration of the GUINEVERE experimental program. The experimental setup made it possible to estimate the core kinetic parameters: the prompt neutron decay constant, the delayed neutron fraction and the generation time. A precise assessment of these constants is of prime importance. In particular, the effective delayed neutron fraction is used to normalize and compare calculated reactivities of different subcritical configurations, obtained by modifying either the core layout or the control rods position, with experimental onesmore » deduced from the analysis of measurements. This paper presents results obtained with a CEA-developed time stamping acquisition system. Data were analyzed using Rossi-α and Feynman-α methods. Results were normalized to reactor power using a calibrated fission chamber with a deposit of Np-237. Calculated factors were necessary to the analysis: the Diven factor was computed by the ENEA (Italy) and the power calibration factor by the CNRS/IN2P3/LPC Caen. Results deduced with both methods are consistent with respect to calculated quantities. Recommended values are given by the Rossi-α estimator, that was found to be the most robust. The neutron generation time was found equal to 0.438 ± 0.009 μs and the effective delayed neutron fraction is 765 ± 8 pcm. Discrepancies with the calculated value (722 pcm, calculation from ENEA) are satisfactory: -5.6% for the Rossi-α estimate and -2.7% for the Feynman-α estimate. (authors)« less

Elucidating reactivity regimes in cyclopentane oxidation: Jet stirred reactor experiments, computational chemistry, and kinetic modeling

DOE PAGES

Al Rashidi, Mariam J.; Thion, Sebastien; Togbe, Casimir; ...

2016-06-22

This study is concerned with the identification and quantification of species generated during the combustion of cyclopentane in a jet stirred reactor (JSR). Experiments were carried out for temperatures between 740 and 1250 K, equivalence ratios from 0.5 to 3.0, and at an operating pressure of 10 atm. The fuel concentration was kept at 0.1% and the residence time of the fuel/O 2/N 2 mixture was maintained at 0.7 s. The reactant, product, and intermediate species concentration profiles were measured using gas chromatography and Fourier transform infrared spectroscopy. The concentration profiles of cyclopentane indicate inhibition of reactivity between 850-1000 Kmore » for φ=2.0 and φ=3.0. This behavior is interesting, as it has not been observed previously for other fuel molecules, cyclic or non-cyclic. A kinetic model including both low- and high-temperature reaction pathways was developed and used to simulate the JSR experiments. The pressure-dependent rate coefficients of all relevant reactions lying on the PES of cyclopentyl + O 2, as well as the C-C and C-H scission reactions of the cyclopentyl radical were calculated at the UCCSD(T)-F12b/cc-pVTZ-F12//M06-2X/6-311++G(d,p) level of theory. The simulations reproduced the unique reactivity trend of cyclopentane and the measured concentration profiles of intermediate and product species. Furthermore, sensitivity and reaction path analyses indicate that this reactivity trend may be attributed to differences in the reactivity of allyl radical at different conditions, and it is highly sensitive to the C-C/C-H scission branching ratio of the cyclopentyl radical decomposition.« less

Anaerobic treatment of winery wastewater in fixed bed reactors.

PubMed

Ganesh, Rangaraj; Rajinikanth, Rajagopal; Thanikal, Joseph V; Ramanujam, Ramamoorty Alwar; Torrijos, Michel

2010-06-01

The treatment of winery wastewater in three upflow anaerobic fixed-bed reactors (S9, S30 and S40) with low density floating supports of varying size and specific surface area was investigated. A maximum OLR of 42 g/l day with 80 +/- 0.5% removal efficiency was attained in S9, which had supports with the highest specific surface area. It was found that the efficiency of the reactors increased with decrease in size and increase in specific surface area of the support media. Total biomass accumulation in the reactors was also found to vary as a function of specific surface area and size of the support medium. The Stover-Kincannon kinetic model predicted satisfactorily the performance of the reactors. The maximum removal rate constant (U(max)) was 161.3, 99.0 and 77.5 g/l day and the saturation value constant (K(B)) was 162.0, 99.5 and 78.0 g/l day for S9, S30 and S40, respectively. Due to their higher biomass retention potential, the supports used in this study offer great promise as media in anaerobic fixed bed reactors. Anaerobic fixed-bed reactors with these supports can be applied as high-rate systems for the treatment of large volumes of wastewaters typically containing readily biodegradable organics, such as the winery wastewater.

Solar gasification of biomass: design and characterization of a molten salt gasification reactor

NASA Astrophysics Data System (ADS)

Hathaway, Brandon Jay

The design and implementation of a prototype molten salt solar reactor for gasification of biomass is a significant milestone in the development of a solar gasification process. The reactor developed in this work allows for 3 kWth operation with an average aperture flux of 1530 suns at salt temperatures of 1200 K with pneumatic injection of ground or powdered dry biomass feedstocks directly into the salt melt. Laboratory scale experiments in an electrically heated reactor demonstrate the benefits of molten salt and the data was evaluated to determine the kinetics of pyrolysis and gasification of biomass or carbon in molten salt. In the presence of molten salt overall gas yields are increased by up to 22%; pyrolysis rates double due to improved heat transfer, while carbon gasification rates increase by an order of magnitude. Existing kinetic models for cellulose pyrolysis fit the data well, while carbon gasification in molten salt follows kinetics modeled with a 2/3 order shrinking-grain model with a pre-exponential factor of 1.5*106 min-1 and activation energy of 158 kJ/mol. A reactor concept is developed based around a concentric cylinder geometry with a cavity-style solar receiver immersed within a volume of molten carbonate salt. Concentrated radiation delivered to the cavity is absorbed in the cavity walls and transferred via convection to the salt volume. Feedstock is delivered into the molten salt volume where biomass gasification reactions will be carried out producing the desired product gas. The features of the cavity receiver/reactor concept are optimized based on modeling of the key physical processes. The cavity absorber geometry is optimized according to a parametric survey of radiative exchange using a Monte Carlo ray tracing model, resulting in a cavity design that achieves absorption efficiencies of 80%-90%. A parametric survey coupling the radiative exchange simulations to a CFD model of molten salt natural convection is used to size the annulus

Steady-state generation of hydrogen peroxide: kinetics and stability of alcohol oxidase immobilized on nanoporous alumina.

PubMed

Kjellander, Marcus; Götz, Kathrin; Liljeruhm, Josefine; Boman, Mats; Johansson, Gunnar

2013-04-01

Alcohol oxidase from Pichia pastoris was immobilized on nanoporous aluminium oxide membranes by silanization and activation by carbonyldiimidazole to create a flow-through enzyme reactor. Kinetic analysis of the hydrogen peroxide generation was carried out for a number of alcohols using a subsequent reaction with horseradish peroxidase and ABTS. The activity data for the immobilized enzyme showed a general similarity with literature data in solution, and the reactor could generate 80 mmol H2O2/h per litre reactor volume. Horseradish peroxidase was immobilized by the same technique to construct bienzymatic modular reactors. These were used in both single pass mode and circulating mode. Pulsed injections of methanol resulted in a linear relation between response and concentration, allowing quantitative concentration measurement. The immobilized alcohol oxidase retained 58 % of initial activity after 3 weeks of storage and repeated use.

Intrinsic kinetic parameters of Thermococcus onnurineus NA1 strains and prediction of optimum carbon monoxide level for ideal bioreactor operation.

PubMed

Jeong, Yeseul; Jang, Nulee; Yasin, Muhammad; Park, Shinyoung; Chang, In Seop

2016-02-01

This study determines and compares the intrinsic kinetic parameters (Ks and Ki) of selected Thermococcus onnurineus NA1 strains (wild-type (WT), and mutants MC01, MC02, and WTC156T) using the substrate inhibition model. Ks and Ki values were used to find the optimum dissolved CO (CL) conditions inside the reactor. The results showed that in terms of the maximum specific CO consumption rates (qCO(max)) of WT, MC01, MC02, and WTC156T the optimum activities can be achieved by maintaining the CL levels at 0.56mM, 0.52mM, 0.58mM, and 0.75mM, respectively. The qCO(max) value of WTC156T at 0.75mM was found to be 1.5-fold higher than for the WT strain, confirming its superiority. Kinetic modeling was then used to predict the conditions required to maintain the optimum CL levels and high cell concentrations in the reactor, based on the kinetic parameters of the WTC156T strain. Copyright © 2015 Elsevier Ltd. All rights reserved.

Comparative performance of fixed-film biological filters: Application of reactor theory

USGS Publications Warehouse

Watten, B.J.; Sibrell, P.L.

2006-01-01

Nitrification is classified as a two-step consecutive reaction where R1 represents the rate of formation of the intermediate product NO2-N and R2 represents the rate of formation of the final product NO3-N. The relative rates of R1 and R2 are influenced by reactor type characterized hydraulically as plug-flow, plug-flow with dispersion and mixed-flow. We develop substrate conversion models for fixed-film biofilters operating in the first-order kinetic regime based on application of chemical reactor theory. Reactor type, inlet conditions and the biofilm kinetic constants Ki (h-1) are used to predict changes in NH4-N, NO2-N, NO3-N and BOD5. The inhibiting effects of the latter on R1 and R2 were established based on the ?? relation, e.g.:{A formula is presented}where BOD5,max is the concentration that causes nitrification to cease and N is a variable relating Ki to increasing BOD5. Conversion models were incorporated in spreadsheet programs that provided steady-state concentrations of nitrogen and BOD5 at several points in a recirculating aquaculture system operating with input values for fish feed rate, reactor volume, microscreen performance, make-up and recirculating flow rates. When rate constants are standardized, spreadsheet use demonstrates plug-flow reactors provide higher rates of R1 and R2 than mixed-flow reactors thereby reducing volume requirements for target concentrations of NH4-N and NO2-N. The benefit provided by the plug-flow reactor varies with hydraulic residence time t as well as the effective vessel dispersion number, D/??L. Both reactor types are capable of providing net increases in NO2-N during treatment but the rate of decrease in the mixed-flow case falls well behind that predicted for plug-flow operation. We show the potential for a positive net change in NO2-N increases with decreases in the dimensionless ratios K2, (R2 )/K1,( R1 ) and [NO2-N]/[NH4-N] and when the product K1, (R1) t provides low to moderate NH4-N conversions. Maintaining

Internal loop photo-biodegradation reactor used for accelerated quinoline degradation and mineralization.

PubMed

Chang, Ling; Zhang, Yongming; Gan, Lu; Xu, Hua; Yan, Ning; Liu, Rui; Rittmann, Bruce E

2014-07-01

Biofilm biodegradation was coupled with ultra-violet photolysis using the internal loop photobiodegradation reactor for degradation of quinoline. Three protocols-photolysis alone (P), biodegradation alone (B), and intimately coupled photolysis and biodegradation (P&B)-were used for degradation of quinoline in batch and continuous-flow experiments. For a 1,000 mg/L initial quinoline concentration, the volumetric removal rate for quinoline was 38 % higher with P&B than with B in batch experiments, and the P&B kinetics were the sum of kinetics from the P and B experiments. Continuous-flow experiments with an influent quinoline concentration of 1,000 mg/L also gave significantly greater quinoline removal in P&B, and the quinoline-removal kinetics for P&B were approximately equal to the sum of the removal kinetics for P and B. P&B similarly increased the rate and extent of quinoline mineralization, for which the kinetics for P&B were nearly equal to the sum of kinetics for P and B. These findings support that the rate-limiting step for mineralization was transformation of quinoline, which was accelerated by the simultaneous action of photolysis and biodegradation.

Scrape-off layer modeling with kinetic or diffusion description of charge-exchange atoms

NASA Astrophysics Data System (ADS)

Tokar, M. Z.

2016-12-01

Hydrogen isotope atoms, generated by charge-exchange (c-x) of neutral particles recycling from the first wall of a fusion reactor, are described either kinetically or in a diffusion approximation. In a one-dimensional (1-D) geometry, kinetic calculations are accelerated enormously by applying an approximate pass method for the assessment of integrals in the velocity space. This permits to perform an exhaustive comparison of calculations done with both approaches. The diffusion approximation is deduced directly from the velocity distribution function of c-x atoms in the limit of charge-exchanges with ions occurring much more frequently than ionization by electrons. The profiles across the flux surfaces of the plasma parameters averaged along the main part of the scrape-off layer (SOL), beyond the X-point and divertor regions, are calculated from the one-dimensional equations where parallel flows of charged particles and energy towards the divertor are taken into account as additional loss terms. It is demonstrated that the heat losses can be firmly estimated from the SOL averaged parameters only; for the particle loss the conditions in the divertor are of importance and the sensitivity of the results to the so-called "divertor impact factor" is investigated. The coupled 1-D models for neutral and charged species, with c-x atoms described either kinetically or in the diffusion approximation, are applied to assess the SOL conditions in a fusion reactor, with the input parameters from the European DEMO project. It is shown that the diffusion approximation provides practically the same profiles across the flux surfaces for the plasma density, electron, and ion temperatures, as those obtained with the kinetic description for c-x atoms. The main difference between the two approaches is observed in the characteristics of these species themselves. In particular, their energy flux onto the wall is underestimated in calculations with the diffusion approximation by 20 % - 30

ANALYSIS OF AN AEROBIC FLUIDIZED BED REACTOR DEGRADING MTBE AND BTEX AT REDUCED EBCTS

EPA Science Inventory

The purpose of this study was to investigate the biodegradation of MTBE and BTEX using a fluidized bed reactor (FBR) with granular activated carbon (GAC) as a biological attachment medium. Batch experiments were run to analyze the MTBE and TBA degradation kinetics of the culture ...

Dynamic characteristics of a VK-50 reactor operating under conditions of the loss of a normal feedwater flow

NASA Astrophysics Data System (ADS)

Semidotskiy, I. I.; Kurskiy, A. S.

2013-12-01

The paper describes the conditions of the ATWS type with virtually complete cessation of the feed-water flow at the operating power level of a reactor of the VK-50 type. Under these conditions, the role of spatial kinetics in the system of feedback between thermohydraulic and nuclear processes with bulk boiling of the coolant in the reactor core is clearly seen. This feature determines the specific character of experimental data obtained and the suitability of their use for verification of the associated codes used for calculating water-water reactors.

Dynamic Time-Resolved Chirped-Pulse Rotational Spectroscopy of Vinyl Cyanide Photoproducts in a Room Temperature Flow Reactor

NASA Astrophysics Data System (ADS)

Zaleski, Daniel P.; Prozument, Kirill

2017-06-01

Chirped-pulsed (CP) Fourier transform rotational spectroscopy invented by Brooks Pate and coworkers a decade ago is an attractive tool for gas phase chemical dynamics and kinetics studies. A good reactor for such a purpose would have well-defined (and variable) temperature and pressure conditions to be amenable to accurate kinetic modeling. Furthermore, in low pressure samples with large enough number of molecular emitters, reaction dynamics can be observable directly, rather than mediated by supersonic expansion. In the present work, we are evaluating feasibility of in situ time-resolved CP spectroscopy in a room temperature flow tube reactor. Vinyl cyanide (CH_2CHCN), neat or mixed with inert gasses, flows through the reactor at pressures 1-50 μbar (0.76-38 mTorr) where it is photodissociated by a 193 nm laser. Millimeter-wave beam of the CP spectrometer co-propagates with the laser beam along the reactor tube and interacts with nascent photoproducts. Rotational transitions of HCN, HNC, and HCCCN are detected, with ≥10 μs time-steps for 500 ms following photolysis of CH_2CHCN. The post-photolysis evolution of the photoproducts' rotational line intensities is investigated for the effects of rotational and vibrational thermalization of energized photoproducts. Possible contributions from bimolecular and wall-mediated chemistry are evaluated as well.

A novel kinetic modeling method for the stabilization phase of the composting process for biodegradation of solid wastes.

PubMed

Ebrahimzadeh, Reza; Ghazanfari Moghaddam, Ahmad; Sarcheshmehpour, Mehdi; Mortezapour, Hamid

2017-12-01

Biomass degradation kinetics of the composting process for kitchen waste, pruned elm tree branches and sheep manure were studied to model changes in volatile solids (VS) over time. Three experimental reactors containing raw mixtures with a carbon to nitrogen (C/N) ratio of 27:1 and a moisture content of 65% were prepared. During the composting process two of the reactors used forced air and the third used natural aeration. The composting stabilization phases in all reactors were completed in 30 days. During this period, composting indexes such as temperature, moisture content and VS changes were recorded. Elementary reactions were used for kinetics modeling of the degradation process. Results showed that the numerical values of rate constant ( k) for zero-order ranged from 0.86 to 1.03 VS×day -1 , for first-order models it ranged from 0.01 to 0.02 day -1 , for second-order the range was from 1.36×10 -5 to 1.78×10 -5 VS -1 ×day -1 and for n-order the rate constant ranged from 0.031 to 0.095 VS (1-n) ×day -1 . The resulting models were validated by comparing statistical parameters. Evaluation of the models showed that, in the aerated reactors, the n-order models (less than 1) successfully estimated the VS changes. In the non-aeration reactor, for the second-order model good agreement was achieved between the simulated and actual quantities of VS. Also, half-life time provided a useful criterion for the estimation of expected time for completion of different phases of composting.

A Kinetic Model for GaAs Growth by Hydride Vapor Phase Epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schulte, Kevin L.; Simon, John; Jain, Nikhil

2016-11-21

Precise control of the growth of III-V materials by hydride vapor phase epitaxy (HVPE) is complicated by the fact that the growth rate depends on the concentrations of nearly all inputs to the reactor and also the reaction temperature. This behavior is in contrast to metalorganic vapor phase epitaxy (MOVPE), which in common practice operates in a mass transport limited regime where growth rate and alloy composition are controlled almost exclusively by flow of the Group III precursor. In HVPE, the growth rate and alloy compositions are very sensitive to temperature and reactant concentrations, which are strong functions of themore » reactor geometry. HVPE growth, particularly the growth of large area materials and devices, will benefit from the development of a growth model that can eventually be coupled with a computational fluid dynamics (CFD) model of a specific reactor geometry. In this work, we develop a growth rate law using a Langmuir-Hinshelwood (L-H) analysis, fitting unknown parameters to growth rate data from the literature that captures the relevant kinetic and thermodynamic phenomena of the HVPE process. We compare the L-H rate law to growth rate data from our custom HVPE reactor, and develop quantitative insight into reactor performance, demonstrating the utility of the growth model.« less

Accelerated procedure to solve kinetic equation for neutral atoms in a hot plasma

NASA Astrophysics Data System (ADS)

Tokar, Mikhail Z.

2017-12-01

The recombination of plasma charged components, electrons and ions of hydrogen isotopes, on the wall of a fusion reactor is a source of neutral molecules and atoms, recycling back into the plasma volume. Here neutral species participate, in particular, in charge-exchange (c-x) collisions with the plasma ions and, as a result, atoms of high energies with chaotically directed velocities are generated. Some fraction of these hot atoms hit the wall. Statistical Monte Carlo methods normally used to model c-x atoms are too time consuming for reasonably small level of accident errors and extensive parameter studies are problematic. By applying pass method to evaluate integrals from functions, including the ion velocity distribution, an iteration approach to solve one-dimensional kinetic equation [1], being alternative to Monte Carlo procedure, has been tremendously accelerated, at least by a factor of 30-50 [2]. Here this approach is developed further to solve the 2-D kinetic equation, applied to model the transport of c-x atoms in the vicinity of an opening in the wall, e.g., the entrance of the duct guiding to a diagnostic installation. This is necessary to determine firmly the energy spectrum of c-x atoms penetrating into the duct and to assess the erosion of the installation there. The results of kinetic modeling are compared with those obtained with the diffusion description for c-x atoms, being strictly relevant under plasma conditions of low temperature and high density, where the mean free path length between c-x collisions is much smaller than that till the atom ionization by electrons. It is demonstrated that the previous calculations [3], done with the diffusion approximation for c-x atoms, overestimate the erosion rate of Mo mirrors in a reactor by a factor of 3 compared to the result of the present kinetic study.

Upflow fixed bed bioelectrochemical reactor for wastewater treatment applications.

PubMed

González-Gutiérrez, Linda; Frontana, Carlos; Martínez, Eduardo

2015-01-01

A cylindrical Upflow Fixed Bed Reactor (UFB-BER) with granular activated carbon, steel mesh electrodes and anaerobic microorganisms, was constructed for analyzing how hydrodynamic parameters affect the reactions involved during wastewater treatment processes for azo dye degradation. Dye removal percentage was not compromised by decreasing HRTm (99-90% upon changing HRTm from 4 to 1h in single pass mode). Using the residence time distribution method for hydrodynamic characterization, it was found that a higher dispersion in the reactor occurs for HRTm=1h, than for HRTm=4h. A kinetic analysis suggests that this dispersion effect could be associated to a higher specific reaction rate dependent on the azo dye concentration. Copyright © 2014 Elsevier Ltd. All rights reserved.

Plasma-resistivity-induced strong damping of the kinetic resistive wall mode.

PubMed

He, Yuling; Liu, Yueqiang; Liu, Yue; Hao, Guangzhou; Wang, Aike

2014-10-24

An energy-principle-based dispersion relation is derived for the resistive wall mode, which incorporates both the drift kinetic resonance between the mode and energetic particles and the resistive layer physics. The equivalence between the energy-principle approach and the resistive layer matching approach is first demonstrated for the resistive plasma resistive wall mode. As a key new result, it is found that the resistive wall mode, coupled to the favorable average curvature stabilization inside the resistive layer (as well as the toroidal plasma flow), can be substantially more stable than that predicted by drift kinetic theory with fast ion stabilization, but with the ideal fluid assumption. Since the layer stabilization becomes stronger with decreasing plasma resistivity, this regime is favorable for reactor scale, high-temperature fusion devices.

Cure kinetics, morphologies, and mechanical properties of thermoplastic/MWCNT modified multifunctional glassy epoxies prepared via continuous reaction methods

NASA Astrophysics Data System (ADS)

Cheng, Xiaole

The primary goal of this dissertation is to develop a novel continuous reactor method to prepare partially cured epoxy prepolymers for aerospace prepreg applications with the aim of replacing traditional batch reactors. Compared to batch reactors, the continuous reactor is capable of solubilizing and dispersing a broad range of additives including thermoplastic tougheners, stabilizers, nanoparticles and curatives and advancing epoxy molecular weights and viscosities while reducing energy consumption. In order to prove this concept, polyethersulfone (PES) modified 4, 4'-diaminodiphenylsulfone (44DDS)/tetraglycidyl-4, 4'-diaminodiphenylmethane (TGDDM) epoxy prepolymers were firstly prepared using both continuous reactor and batch reactor methods. Kinetic studies confirmed the chain extension reaction in the continuous reactor is similar to the batch reactor, and the molecular weights and viscosities of prepolymers were readily controlled through reaction kinetics. Atomic force microscopy (AFM) confirmed similar cured network morphologies for formulations prepared from batch and continuous reactors. Additionally tensile strength, tensile modulus and fracture toughness analyses concluded mechanical properties of cured epoxy matrices produced from both reactors were equivalent. Effects of multifunctional epoxy compositions on thermoplastics phase-separated morphologies were systematically studied using a combination of AFM with nanomechanical mapping, spectroscopic and calorimetric techniques to provide new insights to tailor cured reaction induced phase separation (CRIPS) in multifunctional epoxy blend networks. Furthermore, how resultant crosslinked glassy polymer network and phase-separated morphologies correlated with mechanical properties are discussed in detail. Multiwall carbon nanotube (MWCNT)/TGDDM epoxy prepolymers were further prepared by combining the successful strategies for advancing epoxy chemistries and dispersing nanotubes using the continuous reactor

Modeling Lab-sized Anaerobic Fluidized Bed Reactor (AFBR) for Palm Oil Mill Effluent (POME) treatment: from Batch to Continuous Reactors

NASA Astrophysics Data System (ADS)

Mufti Azis, Muhammad; Sudibyo, Hanifrahmawan; Budhijanto, Wiratni

2018-03-01

Indonesia is aiming to produce 30 million tones/year of crude palm oil (CPO) by 2020. As a result, 90 million tones/year of POME will be produced. POME is highly polluting wastewater which may cause severe environmental problem due to its high chemical oxygen demand (COD) and biochemical oxygen demand (BOD). Due to the limitation of open pond treatment, the use of AFBR has been considered as a potential technology to treat POME. This study aims to develop mathematical models of lab-sized Anaerobic Fluidized Bed Reactor (AFBR) in batch and continuous processes. In addition, the AFBR also utilized natural zeolite as an immobilized media for microbes. To initiate the biomass growth, biodiesel waste has been used as an inoculum. In the first part of this study, a batch AFBR was operated to evaluate the COD, VFA, and CH4 concentrations. By comparing the batch results with and without zeolite, it showed that the addition of 17 g/gSCOD zeolite gave larger COD decrease within 20 days of operation. In order to elucidate the mechanism, parameter estimations of 12 kinetic parameters were proposed to describe the batch reactor performance. The model in general could describe the batch experimental data well. In the second part of this study, the kinetic parameters obtained from batch reactor were used to simulate the performance of double column AFBR where the acidogenic and methanogenic biomass were separated. The simulation showed that a relatively long residence time (Hydraulic Residence Time, HRT) was required to treat POME using the proposed double column AFBR. Sensitivity analyses was conducted and revealed that μm1 appeared to be the most sensitive parameter to reduce the HRT of double column AFBR.

On the relationships between Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, Equilibrium Chemistry Approximation kinetics and quadratic kinetics

DOE PAGES

Tang, J. Y.

2015-09-03

The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use which of the two are often ambiguous. Here I show that these two kinetics are special approximations to the Equilibrium Chemistry Approximation kinetics, which is the first order approximation to the quadratic kinetics that solves the equation of enzyme-substrate complex exactly for a single enzyme single substrate biogeochemical reaction with the law of mass action and the assumption of quasi-steady-state formore » the enzyme-substrate complex and that the product genesis from enzyme-substrate complex is much slower than the equilibration between enzyme-substrate complexes, substrates and enzymes. In particular, I showed that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in the Equilibrium Chemistry Approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln k 2 + of the reaction velocity v with respect to the maximum product genesis rate k 2 +, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln k 1 + of v with respect to the intrinsic substrate affinity k 1 +, persistently over-predict the normalized sensitivity ∂ ln v / ∂ ln [ E ] T of v with respect the total enzyme concentration [ E ] T and persistently under-predict the normalized sensitivity ∂ ln v / ∂ ln [ S ] T of v with respect to the total substrate concentration [ S ] T

A generalized electron energy probability function for inductively coupled plasmas under conditions of nonlocal electron kinetics

NASA Astrophysics Data System (ADS)

Mouchtouris, S.; Kokkoris, G.

2018-01-01

A generalized equation for the electron energy probability function (EEPF) of inductively coupled Ar plasmas is proposed under conditions of nonlocal electron kinetics and diffusive cooling. The proposed equation describes the local EEPF in a discharge and the independent variable is the kinetic energy of electrons. The EEPF consists of a bulk and a depleted tail part and incorporates the effect of the plasma potential, Vp, and pressure. Due to diffusive cooling, the break point of the EEPF is eVp. The pressure alters the shape of the bulk and the slope of the tail part. The parameters of the proposed EEPF are extracted by fitting to measure EEPFs (at one point in the reactor) at different pressures. By coupling the proposed EEPF with a hybrid plasma model, measurements in the gaseous electronics conference reference reactor concerning (a) the electron density and temperature and the plasma potential, either spatially resolved or at different pressure (10-50 mTorr) and power, and (b) the ion current density of the electrode, are well reproduced. The effect of the choice of the EEPF on the results is investigated by a comparison to an EEPF coming from the Boltzmann equation (local electron kinetics approach) and to a Maxwellian EEPF. The accuracy of the results and the fact that the proposed EEPF is predefined renders its use a reliable alternative with a low computational cost compared to stochastic electron kinetic models at low pressure conditions, which can be extended to other gases and/or different electron heating mechanisms.

CRITICAL TESTS FOR PRT REACTOR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Triplett, J.R.; Anderson, J.K.; Dunn, R.E.

1960-07-01

Critical teste to be performed on the Plutonium Recycle Te st Heactor are described. Exponential, approach-tocritical, critical, and substitution experiments will be carried out. These experiments include: calibration of moderator level; determination of the wori of various fuel loadings; calibration of the shim system including determination of maximum control strength of the entire system; substitution experiments to determine reflector savings, void effects, effects of H/sub 2/O and degraded D/sub 2/O coolants, and effects of loop and other material intsllations; determination of fuel-plus-coolant and moderator temperature coefficients; and kinetic experiments to determine response of the reactor to reactivity changes. (M.C.G.)

Kinetic Study of Methyl Acetate Oxidation in a Pt/Al2O3 Fixed-Bed Reactor

NASA Technical Reports Server (NTRS)

Hoy, Michael; Li, K. Y.; Li, Jeffrey S.; Chen, S. M.; Yaws, C. L.; Chu, H. W.; Simon, W. E.

1994-01-01

To support technology development for future long-term missions, a metabolic simulator will be used in a closed chamber to test the functions of a Controlled Ecological Life Support System (CELSS). Methyl acetate (MA) was selected as the fuel because its metabolic respiratory quotient is near that of humans. A kinetic study of the catalytic oxidation of MA over Pt/Al203 was then conducted to support the design and operation of the simulator. Kinetic data were obtained as a conversion percentage of MA versus retention time. The reaction was studied at one atmosphere and temperatures from 220 to 340 deg. C. The inlet MA concentration was varied from 100 to 2000 ppm with retention times from 0.01 to 10 sec. A first-order rate law and a Langmuir-Hinshelwood rate equation were tested by nonlinear regression of the kinetic data to estimate rate constants in the rate law. Regression results of the L-H equation explain the kinetic data better than the results of the first-order rate law. A Taguchi experimental design was used to study the effects of temperature, retention time, and concentrations of MA, CO2, and O2 on the conversion of MA. Results indicate that temperature has greatest effect, followed by retention time, and finally MA concentration. It was further determined that the effects of CO2 and O2 concentrations, and the cross effects, are negligible.

Laundry greywater treatment using a fluidized bed reactor: a proposed model based on greywater biodegradation and residence time distribution approach.

PubMed

David, Pierre-luc; Bulteau, Gaëlle; Humeau, Philippe; Gérente, Claire; Andrès, Yves

2013-01-01

The increasing demand for water and the decrease in global water resources require research into alternative solutions to preserve them. The present study deals with the optimization of a treatment process, i.e. an aerobic fluidized bed reactor and the modelling of the degradation that takes place within it. The methodology employed is based on the hydrodynamics of the treatment process linked to the biodegradation kinetics of greywater coming from a washing machine. The residence time distribution (RTD) approach is selected for the hydrodynamic study. Biodegradation kinetics are quantified by respirometry and dissolved organic carbon (DOC) analysis on several mass quantities of colonized particles. RTD determinations show that there are no dysfunctions in the fluidized bed. Its hydrodynamic behaviour is similar to the one of a continuous stirred-tank reactor. A first-order reaction is obtained from the DOC biodegradation study. A model describing the degradation that takes place into the reactor is proposed, and from a sensitive study, the influence of the operating conditions on DOC biodegradation is defined. The theoretical results calculated from the first-order equation C(t) = 0.593 x C(0) x e(-kt) are compared with the experimental results and validated by a Student test. The value of the kinetic constant k is 0.011 h(-1) in the presence of a biomass carrier. The results highlight that it is possible to design a reactor in order to obtain a carbon content lower than 15 mg C L(-1) when the characteristics of raw greywater are known.

Synthesis and Manipulation of Semiconductor Nanocrystals inMicrofluidic Reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chan, Emory Ming-Yue

2006-01-01

Microfluidic reactors are investigated as a mechanism tocontrol the growth of semiconductor nanocrystals and characterize thestructural evolution of colloidal quantum dots. Due to their shortdiffusion lengths, low thermal masses, and predictable fluid dynamics,microfluidic devices can be used to quickly and reproducibly alterreaction conditions such as concentration, temperature, and reactiontime, while allowing for rapid reagent mixing and productcharacterization. These features are particularly useful for colloidalnanocrystal reactions, which scale poorly and are difficult to controland characterize in bulk fluids. To demonstrate the capabilities ofnanoparticle microreactors, a size series of spherical CdSe nanocrystalswas synthesized at high temperature in a continuous-flow, microfabricatedglass reactor. Nanocrystalmore » diameters are reproducibly controlled bysystematically altering reaction parameters such as the temperature,concentration, and reaction time. Microreactors with finer control overtemperature and reagent mixing were designed to synthesize nanoparticlesof different shapes, such as rods, tetrapods, and hollow shells. The twomajor challenges observed with continuous flow reactors are thedeposition of particles on channel walls and the broad distribution ofresidence times that result from laminar flow. To alleviate theseproblems, I designed and fabricated liquid-liquid segmented flowmicroreactors in which the reaction precursors are encapsulated inflowing droplets suspended in an immiscible carrier fluid. The synthesisof CdSe nanocrystals in such microreactors exhibited reduced depositionand residence time distributions while enabling the rapid screening aseries of samples isolated in nL droplets. Microfluidic reactors werealso designed to modify the composition of existing nanocrystals andcharacterize the kinetics of such reactions. The millisecond kinetics ofthe CdSe-to-Ag 2Se nanocrystal cation exchange reaction are measured insitu with micro

On the relationships between the Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, equilibrium chemistry approximation kinetics, and quadratic kinetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, J. Y.

The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use either of the two are often ambiguous. Here I show that these two kinetics are special approximations to the equilibrium chemistry approximation (ECA) kinetics, which is the first-order approximation to the quadratic kinetics that solves the equation of an enzyme–substrate complex exactly for a single-enzyme and single-substrate biogeochemical reaction with the law of mass action and the assumption of a quasi-steadymore » state for the enzyme–substrate complex and that the product genesis from enzyme–substrate complex is much slower than the equilibration between enzyme–substrate complexes, substrates, and enzymes. In particular, I show that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in deriving the equilibrium chemistry approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln k 2 + of the reaction velocity v with respect to the maximum product genesis rate k 2 +, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln k 1 + of v with respect to the intrinsic substrate affinity k 1 +, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln [ E] T of v with respect the total enzyme concentration [ E] T, and persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln [ S] T of v with respect to the total substrate

On the relationships between the Michaelis–Menten kinetics, reverse Michaelis–Menten kinetics, equilibrium chemistry approximation kinetics, and quadratic kinetics

DOE PAGES

Tang, J. Y.

2015-12-01

The Michaelis–Menten kinetics and the reverse Michaelis–Menten kinetics are two popular mathematical formulations used in many land biogeochemical models to describe how microbes and plants would respond to changes in substrate abundance. However, the criteria of when to use either of the two are often ambiguous. Here I show that these two kinetics are special approximations to the equilibrium chemistry approximation (ECA) kinetics, which is the first-order approximation to the quadratic kinetics that solves the equation of an enzyme–substrate complex exactly for a single-enzyme and single-substrate biogeochemical reaction with the law of mass action and the assumption of a quasi-steadymore » state for the enzyme–substrate complex and that the product genesis from enzyme–substrate complex is much slower than the equilibration between enzyme–substrate complexes, substrates, and enzymes. In particular, I show that the derivation of the Michaelis–Menten kinetics does not consider the mass balance constraint of the substrate, and the reverse Michaelis–Menten kinetics does not consider the mass balance constraint of the enzyme, whereas both of these constraints are taken into account in deriving the equilibrium chemistry approximation kinetics. By benchmarking against predictions from the quadratic kinetics for a wide range of substrate and enzyme concentrations, the Michaelis–Menten kinetics was found to persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln k 2 + of the reaction velocity v with respect to the maximum product genesis rate k 2 +, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln k 1 + of v with respect to the intrinsic substrate affinity k 1 +, persistently overpredict the normalized sensitivity ∂ ln v / ∂ ln [ E] T of v with respect the total enzyme concentration [ E] T, and persistently underpredict the normalized sensitivity ∂ ln v / ∂ ln [ S] T of v with respect to the total substrate

Combined coagulation-flocculation and sequencing batch reactor with phosphorus adjustment for the treatment of high-strength landfill leachate: experimental kinetics and chemical oxygen demand fractionation.

PubMed

El-Fadel, M; Matar, F; Hashisho, J

2013-05-01

The treatability of high-strength landfill leachate is challenging and relatively limited. This study examines the feasibility of treating high-strength landfill leachate (chemical oxygen demand [COD]: 7,760-11,770 mg/L, biochemical oxygen demand [BOD5]: 2,760-3,569 mg/L, total nitrogen [TN] = 980-1,160 mg/L) using a sequencing batch reactor (SBR) preceded by a coagulation-flocculation process with phosphorus nutritional balance under various mixing and aeration patterns. Simulations were also conducted to define kinetic parameters and COD fractionation. Removal efficiencies reached 89% for BOD5, 60% for COD, and 72% for TN, similar to and better than reported studies, albeit with a relatively lower hydraulic retention time (HRT) and solid retention time (SRT). The coupled experimental and simulation results contribute in filling a gap toward managing high-strength landfill leachate and providing guidelines for corresponding SBR applications. The treatability of high-strength landfill leachate, which is challenging and relatively limited, was demonstrated using a combined coagulation-flocculation with SBR technology and nutrient balance adjustment. The most suitable coagulant, kinetic design parameters, and COD fractionation were defined using coupled experimental and simulation results contributing in filling a gap toward managing high-strength leachate by providing guidelines for corresponding SBR applications and anticipating potential constraints related to the non-biodegradable COD fraction. In this context, while the combined coagulation-flocculation and SBR process improved removal efficiencies, posttreatment may be required for high-strength leachate, depending on discharge standards and ultimate usage of the treated leachate.

The kinetics, current efficiency, and power consumption of electrochemical dye decolorization by BD-NCD film electrode

NASA Astrophysics Data System (ADS)

Nurhayati, Ervin; Juang, Yaju; Huang, Chihpin

2017-06-01

Diamond film electrode has been known as a material with very wide potential window for water electrolysis which leads to its applicability in numerous electrochemical processes. Its capability to produce hydroxyl radicals, a very strong oxidants, prompts its popular application in wastewater treatment. Batch and batch recirculation reactor were applied to perform bulk electrolysis experiments to investigate the kinetics of dye decolorization under different operation conditions, such as pH, active species, and current density. Furthermore, COD degradation data from batch recirculation reactor operation was used as the basis for the calculation of current efficiency and power consumption in the decolorization process. The kinetics of decolorization process using boron-doped nanocrystalline diamond (BD-NCD) film electrode revealed that acidic condition is favored for the dye degradation, and the presence of chloride ion in the solution was found to be more advantageous than sulfate active species, as evidenced by the higher reaction rate constants. Applying different current density of 10, 20 and 30 mA cm-2, it was found that the higher the current density the faster the decolorization rate. General current efficiency achieved after nearly total decolorization and 80% COD removal in batch recirculation reactor was around 74%, with specific power consumption of 4.4 kWh m-3 (in terms of volume of solution treated) or 145 kWh kg-1(in terms of kg COD treated).

Computational Fluid Dynamics simulation of hydrothermal liquefaction of microalgae in a continuous plug-flow reactor.

PubMed

Ranganathan, Panneerselvam; Savithri, Sivaraman

2018-06-01

Computational Fluid Dynamics (CFD) technique is used in this work to simulate the hydrothermal liquefaction of Nannochloropsis sp. microalgae in a lab-scale continuous plug-flow reactor to understand the fluid dynamics, heat transfer, and reaction kinetics in a HTL reactor under hydrothermal condition. The temperature profile in the reactor and the yield of HTL products from the present simulation are obtained and they are validated with the experimental data available in the literature. Furthermore, the parametric study is carried out to study the effect of slurry flow rate, reactor temperature, and external heat transfer coefficient on the yield of products. Though the model predictions are satisfactory in comparison with the experimental results, it still needs to be improved for better prediction of the product yields. This improved model will be considered as a baseline for design and scale-up of large-scale HTL reactor. Copyright © 2018 Elsevier Ltd. All rights reserved.

An experimental model of COD abatement in MBBR based on biofilm growth dynamic and on substrates' removal kinetics.

PubMed

Siciliano, Alessio; De Rosa, Salvatore

2016-08-01

In this study, the performance of a lab-scale Moving Bed Biofilm Reactor (MBBR) under different operating conditions was analysed. Moreover, the dependence of the reaction rates both from the concentration and biodegradability of substrates and from the biofilm surface density, by means of several batch kinetic tests, was investigated. The reactor controls exhibited an increasing COD (Chemical Oxygen Demand) removal, reaching maximum yields (close to 90%) for influent loadings of up to12.5 gCOD/m(2)d. From this value, the pilot plant performance decreased to yields of only about 55% for influent loadings greater than 16 gCOD/m(2)d. In response to the influent loading increase, the biofilm surface density exhibited a logistic growing trend until reaching a maximum amount of total attached solids of about 9.5 g/m(2). The kinetic test results indicated that the COD removal rates for rapidly biodegradable, rapidly hydrolysable and slowly biodegradable substrates were not affected by the organic matter concentrations. Instead, first-order kinetics were detected with respect to biofilm surface density. The experimental results permitted the formulation of a mathematical model to predict the MBBR organic matter removal efficiency. The validity of the model was successfully tested in the lab-scale plant.

Quantification of protein interaction kinetics in a micro droplet

NASA Astrophysics Data System (ADS)

Yin, L. L.; Wang, S. P.; Shan, X. N.; Zhang, S. T.; Tao, N. J.

2015-11-01

Characterization of protein interactions is essential to the discovery of disease biomarkers, the development of diagnostic assays, and the screening for therapeutic drugs. Conventional flow-through kinetic measurements need relative large amount of sample that is not feasible for precious protein samples. We report a novel method to measure protein interaction kinetics in a single droplet with sub microliter or less volume. A droplet in a humidity-controlled environmental chamber is replacing the microfluidic channels as the reactor for the protein interaction. The binding process is monitored by a surface plasmon resonance imaging (SPRi) system. Association curves are obtained from the average SPR image intensity in the center area of the droplet. The washing step required by conventional flow-through SPR method is eliminated in the droplet method. The association and dissociation rate constants and binding affinity of an antigen-antibody interaction are obtained by global fitting of association curves at different concentrations. The result obtained by this method is accurate as validated by conventional flow-through SPR system. This droplet-based method not only allows kinetic studies for proteins with limited supply but also opens the door for high-throughput protein interaction study in a droplet-based microarray format that enables measurement of many to many interactions on a single chip.

One-dimensional biomass fast pyrolysis model with reaction kinetics integrated in an Aspen Plus Biorefinery Process Model

DOE PAGES

Humbird, David; Trendewicz, Anna; Braun, Robert; ...

2017-01-12

A biomass fast pyrolysis reactor model with detailed reaction kinetics and one-dimensional fluid dynamics was implemented in an equation-oriented modeling environment (Aspen Custom Modeler). Portions of this work were detailed in previous publications; further modifications have been made here to improve stability and reduce execution time of the model to make it compatible for use in large process flowsheets. The detailed reactor model was integrated into a larger process simulation in Aspen Plus and was stable for different feedstocks over a range of reactor temperatures. Sample results are presented that indicate general agreement with experimental results, but with higher gasmore » losses caused by stripping of the bio-oil by the fluidizing gas in the simulated absorber/condenser. Lastly, this integrated modeling approach can be extended to other well-defined, predictive reactor models for fast pyrolysis, catalytic fast pyrolysis, as well as other processes.« less

One-dimensional biomass fast pyrolysis model with reaction kinetics integrated in an Aspen Plus Biorefinery Process Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Humbird, David; Trendewicz, Anna; Braun, Robert

A biomass fast pyrolysis reactor model with detailed reaction kinetics and one-dimensional fluid dynamics was implemented in an equation-oriented modeling environment (Aspen Custom Modeler). Portions of this work were detailed in previous publications; further modifications have been made here to improve stability and reduce execution time of the model to make it compatible for use in large process flowsheets. The detailed reactor model was integrated into a larger process simulation in Aspen Plus and was stable for different feedstocks over a range of reactor temperatures. Sample results are presented that indicate general agreement with experimental results, but with higher gasmore » losses caused by stripping of the bio-oil by the fluidizing gas in the simulated absorber/condenser. Lastly, this integrated modeling approach can be extended to other well-defined, predictive reactor models for fast pyrolysis, catalytic fast pyrolysis, as well as other processes.« less

From biofilm ecology to reactors: a focused review.

PubMed

Boltz, Joshua P; Smets, Barth F; Rittmann, Bruce E; van Loosdrecht, Mark C M; Morgenroth, Eberhard; Daigger, Glen T

2017-04-01

Biofilms are complex biostructures that appear on all surfaces that are regularly in contact with water. They are structurally complex, dynamic systems with attributes of primordial multicellular organisms and multifaceted ecosystems. The presence of biofilms may have a negative impact on the performance of various systems, but they can also be used beneficially for the treatment of water (defined herein as potable water, municipal and industrial wastewater, fresh/brackish/salt water bodies, groundwater) as well as in water stream-based biological resource recovery systems. This review addresses the following three topics: (1) biofilm ecology, (2) biofilm reactor technology and design, and (3) biofilm modeling. In so doing, it addresses the processes occurring in the biofilm, and how these affect and are affected by the broader biofilm system. The symphonic application of a suite of biological methods has led to significant advances in the understanding of biofilm ecology. New metabolic pathways, such as anaerobic ammonium oxidation (anammox) or complete ammonium oxidation (comammox) were first observed in biofilm reactors. The functions, properties, and constituents of the biofilm extracellular polymeric substance matrix are somewhat known, but their exact composition and role in the microbial conversion kinetics and biochemical transformations are still to be resolved. Biofilm grown microorganisms may contribute to increased metabolism of micro-pollutants. Several types of biofilm reactors have been used for water treatment, with current focus on moving bed biofilm reactors, integrated fixed-film activated sludge, membrane-supported biofilm reactors, and granular sludge processes. The control and/or beneficial use of biofilms in membrane processes is advancing. Biofilm models have become essential tools for fundamental biofilm research and biofilm reactor engineering and design. At the same time, the divergence between biofilm modeling and biofilm reactor

Immobilization patterns and dynamics of acetate-utilizing methanogens immobilized in sterile granular sludge in upflow anaerobic sludge blanket reactors.

PubMed

Schmidt, J E; Ahring, B K

1999-03-01

Sterile granular sludge was inoculated with either Methanosarcina mazeii S-6, Methanosaeta concilii GP-6, or both species in acetate-fed upflow anaerobic sludge blanket (UASB) reactors to investigate the immobilization patterns and dynamics of aceticlastic methanogens in granular sludge. After several months of reactor operation, the methanogens were immobilized, either separately or together. The fastest immobilization was observed in the reactor containing M. mazeii S-6. The highest effluent concentration of acetate was observed in the reactor with only M. mazeii S-6 immobilized, while the lowest effluent concentration of acetate was observed in the reactor where both types of methanogens were immobilized together. No changes were observed in the kinetic parameters (Ks and mumax) of immobilized M. concilii GP-6 or M. mazeii S-6 compared with suspended cultures, indicating that immobilization does not affect the growth kinetics of these methanogens. An enzyme-linked immunosorbent assay using polyclonal antibodies against either M. concilii GP-6 or M. mazeii S-6 showed significant variations in the two methanogenic populations in the different reactors. Polyclonal antibodies were further used to study the spatial distribution of the two methanogens. M. concilii GP-6 was immobilized only on existing support material without any specific pattern. M. mazeii S-6, however, showed a different immobilization pattern: large clumps were formed when the concentration of acetate was high, but where the acetate concentration was low this strain was immobilized on support material as single cells or small clumps. The data clearly show that the two aceticlastic methanogens immobilize differently in UASB systems, depending on the conditions found throughout the UASB reactor.

Immobilization Patterns and Dynamics of Acetate-Utilizing Methanogens Immobilized in Sterile Granular Sludge in Upflow Anaerobic Sludge Blanket Reactors

PubMed Central

Schmidt, Jens Ejbye; Ahring, Birgitte Kjær

1999-01-01

Sterile granular sludge was inoculated with either Methanosarcina mazeii S-6, Methanosaeta concilii GP-6, or both species in acetate-fed upflow anaerobic sludge blanket (UASB) reactors to investigate the immobilization patterns and dynamics of aceticlastic methanogens in granular sludge. After several months of reactor operation, the methanogens were immobilized, either separately or together. The fastest immobilization was observed in the reactor containing M. mazeii S-6. The highest effluent concentration of acetate was observed in the reactor with only M. mazeii S-6 immobilized, while the lowest effluent concentration of acetate was observed in the reactor where both types of methanogens were immobilized together. No changes were observed in the kinetic parameters (Ks and μmax) of immobilized M. concilii GP-6 or M. mazeii S-6 compared with suspended cultures, indicating that immobilization does not affect the growth kinetics of these methanogens. An enzyme-linked immunosorbent assay using polyclonal antibodies against either M. concilii GP-6 or M. mazeii S-6 showed significant variations in the two methanogenic populations in the different reactors. Polyclonal antibodies were further used to study the spatial distribution of the two methanogens. M. concilii GP-6 was immobilized only on existing support material without any specific pattern. M. mazeii S-6, however, showed a different immobilization pattern: large clumps were formed when the concentration of acetate was high, but where the acetate concentration was low this strain was immobilized on support material as single cells or small clumps. The data clearly show that the two aceticlastic methanogens immobilize differently in UASB systems, depending on the conditions found throughout the UASB reactor. PMID:10049862

Model calibration and validation for OFMSW and sewage sludge co-digestion reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Esposito, G., E-mail: giovanni.esposito@unicas.it; Frunzo, L., E-mail: luigi.frunzo@unina.it; Panico, A., E-mail: anpanico@unina.it

2011-12-15

Highlights: > Disintegration is the limiting step of the anaerobic co-digestion process. > Disintegration kinetic constant does not depend on the waste particle size. > Disintegration kinetic constant depends only on the waste nature and composition. > The model calibration can be performed on organic waste of any particle size. - Abstract: A mathematical model has recently been proposed by the authors to simulate the biochemical processes that prevail in a co-digestion reactor fed with sewage sludge and the organic fraction of municipal solid waste. This model is based on the Anaerobic Digestion Model no. 1 of the International Watermore » Association, which has been extended to include the co-digestion processes, using surface-based kinetics to model the organic waste disintegration and conversion to carbohydrates, proteins and lipids. When organic waste solids are present in the reactor influent, the disintegration process is the rate-limiting step of the overall co-digestion process. The main advantage of the proposed modeling approach is that the kinetic constant of such a process does not depend on the waste particle size distribution (PSD) and rather depends only on the nature and composition of the waste particles. The model calibration aimed to assess the kinetic constant of the disintegration process can therefore be conducted using organic waste samples of any PSD, and the resulting value will be suitable for all the organic wastes of the same nature as the investigated samples, independently of their PSD. This assumption was proven in this study by biomethane potential experiments that were conducted on organic waste samples with different particle sizes. The results of these experiments were used to calibrate and validate the mathematical model, resulting in a good agreement between the simulated and observed data for any investigated particle size of the solid waste. This study confirms the strength of the proposed model and calibration procedure

Accident analysis of heavy water cooled thorium breeder reactor

NASA Astrophysics Data System (ADS)

Yulianti, Yanti; Su'ud, Zaki; Takaki, Naoyuki

2015-04-01

Thorium has lately attracted considerable attention because it is accumulating as a by-product of large scale rare earth mining. The objective of research is to analyze transient behavior of a heavy water cooled thorium breeder that is designed by Tokai University and Tokyo Institute of Technology. That is oxide fueled, PWR type reactor with heavy water as primary coolant. An example of the optimized core has relatively small moderator to fuel volume ratio (MFR) of 0.6 and the characteristics of the core are burn-up of 67 GWd/t, breeding ratio of 1.08, burn-up reactivity loss during cycles of < 0.2% dk/k, and negative coolant reactivity coefficient. One of the nuclear reactor accidents types examined here is Unprotected Transient over Power (UTOP) due to withdrawing of the control rod that result in the positive reactivity insertion so that the reactor power will increase rapidly. Another accident type is Unprotected Loss of Flow (ULOF) that caused by failure of coolant pumps. To analyze the reactor accidents, neutron distribution calculation in the nuclear reactor is the most important factor. The best expression for the neutron distribution is the Boltzmann transport equation. However, solving this equation is very difficult so that the space-time diffusion equation is commonly used. Usually, space-time diffusion equation is solved by employing a point kinetics approach. However, this approach is less accurate for a spatially heterogeneous nuclear reactor and the nuclear reactor with quite large reactivity input. Direct method is therefore used to solve space-time diffusion equation which consider spatial factor in detail during nuclear reactor accident simulation. Set of equations that obtained from full implicit finite-difference method is solved by using iterative methods. The indication of UTOP accident is decreasing macroscopic absorption cross-section that results large external reactivity, and ULOF accident is indicated by decreasing coolant flow. The

RAZORBACK - A Research Reactor Transient Analysis Code Version 1.0 - Volume 3: Verification and Validation Report.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Talley, Darren G.

2017-04-01

This report describes the work and results of the verification and validation (V&V) of the version 1.0 release of the Razorback code. Razorback is a computer code designed to simulate the operation of a research reactor (such as the Annular Core Research Reactor (ACRR)) by a coupled numerical solution of the point reactor kinetics equations, the energy conservation equation for fuel element heat transfer, the equation of motion for fuel element thermal expansion, and the mass, momentum, and energy conservation equations for the water cooling of the fuel elements. This V&V effort was intended to confirm that the code showsmore » good agreement between simulation and actual ACRR operations.« less

Advanced particle-in-cell simulation techniques for modeling the Lockheed Martin Compact Fusion Reactor

NASA Astrophysics Data System (ADS)

Welch, Dale; Font, Gabriel; Mitchell, Robert; Rose, David

2017-10-01

We report on particle-in-cell developments of the study of the Compact Fusion Reactor. Millisecond, two and three-dimensional simulations (cubic meter volume) of confinement and neutral beam heating of the magnetic confinement device requires accurate representation of the complex orbits, near perfect energy conservation, and significant computational power. In order to determine initial plasma fill and neutral beam heating, these simulations include ionization, elastic and charge exchange hydrogen reactions. To this end, we are pursuing fast electromagnetic kinetic modeling algorithms including a two implicit techniques and a hybrid quasi-neutral algorithm with kinetic ions. The kinetic modeling includes use of the Poisson-corrected direct implicit, magnetic implicit, as well as second-order cloud-in-cell techniques. The hybrid algorithm, ignoring electron inertial effects, is two orders of magnitude faster than kinetic but not as accurate with respect to confinement. The advantages and disadvantages of these techniques will be presented. Funded by Lockheed Martin.

Performance of intermittent aeration reactor on NH4-N removal from groundwater resources.

PubMed

Khanitchaidecha, W; Nakamura, T; Sumino, T; Kazama, F

2010-01-01

To study the effect of intermittent aeration period on ammonium-nitrogen (NH4-N) removal from groundwater resources, synthetic groundwater was prepared and three reactors were operated under different conditions--"reactor A" under continuous aeration, "reactor B" under 6 h intermittent aeration, and "reactor C" under 2 h intermittent aeration. To facilitate denitrification simultaneously with nitrification, "acetate" was added as an external carbon source with step-wise increase from 0.5 to 1.5 C/N ratio, where C stands for total carbon content in the system, and N for NH4-N concentration in the synthetic groundwater. Results show that complete NH4-N removal was obtained in "reactor B" and "reactor C" at 1.3 and 1.5 C/N ratio respectively; and partial NH4-N removal in "reactor A". These results suggest that intermittent aeration at longer interval could enhance the reactor performance on NH4-N removal in terms of efficiency and low external carbon requirement. Because of consumption of internal carbon by the process, less amount of external carbon is required. Further increase in carbon in a form of acetate (1.5 to 2.5 C/N ratios) increases removal rate (represented by reaction rate coefficient (k) of kinetic equation) as well as occurrence of free cells. It suggests that the operating condition at reactor B with 1.3 C/N ratio is more appropriate for long-term operation at a pilot-scale.

Continuous production of biodiesel under supercritical methyl acetate conditions: Experimental investigation and kinetic model.

PubMed

Farobie, Obie; Matsumura, Yukihiko

2017-10-01

In this study, biodiesel production by using supercritical methyl acetate in a continuous flow reactor was investigated for the first time. The aim of this study was to elucidate the reaction kinetics of biodiesel production by using supercritical methyl. Experiments were conducted at various reaction temperatures (300-400°C), residence times (5-30min), oil-to-methyl acetate molar ratio of 1:40, and a fixed pressure of 20MPa. Reaction kinetics of biodiesel production with supercritical methyl acetate was determined. Finally, biodiesel yield obtained from this method was compared to that obtained with supercritical methanol, ethanol, and MTBE (methyl tertiary-butyl ether). The results showed that biodiesel yield with supercritical methyl acetate increased with temperature and time. The developed kinetic model was found to fit the experimental data well. The reactivity of supercritical methyl acetate was the lowest, followed by that of supercritical MTBE, ethanol, and methanol, under the same conditions. Copyright © 2017. Published by Elsevier Ltd.

Kinetics of enzymatic synthesis of liquid wax ester from oleic acid and oleyl alcohol.

PubMed

Radzi, Salina Mat; Mohamad, Rosfarizan; Basri, Mahiran; Salleh, Abu Bakar; Ariff, Arbakariya; Rahman, Mohammad Basyaruddin Abdul; Rahman, Raja Noor Zaliha Raja Abdul

2010-01-01

The kinetics of wax ester synthesis from oleic acid and oleyl alcohol using immobilized lipase from Candida antartica as catalyst was studied with different types of impeller (Rushton turbine and AL-hydrofoil) to create different mixing conditions in 2l stirred tank reactor. The effects of catalyst concentration, reaction temperature, and impeller tip speed on the synthesis were also evaluated. Rushton turbine impeller exhibited highest conversion rate at lower impeller tip speed as compared to AL-hydrofoil impeller. A second-order reversible kinetic model from single progress curve for the prediction of fractional conversion at given reaction time was proposed and the corresponding kinetic parameter values were calculated by non-linear regression method. The results from the simulation using the proposed model showed satisfactory agreement with the experimental data. Activation energy shows a value of 21.77 Kcal/mol. The thermodynamic parameters of the process, enthalpy and entropy, were 21.15 Kcal/mol and 52.07 cal/mol.K, respectively.

Spent caustic oxidation using electro-generated Fenton's reagent in a batch reactor.

PubMed

Rodriguez, Nicolas; Hansen, Henrik K; Nunez, Patricio; Guzman, Jaime

2008-07-01

This work shows the results of four Electro-Fenton laboratory tests to reduce the chemical oxygen demand (COD) in spent caustic solutions. The treatment consisted of (i) a pH reduction followed by (ii) an Electro-Fenton process, which was analyzed in this work. The Fenton's reagent was produced in a specially designed reactor, where the waste stream flowed through a labyrinth made by ferrous plates. These plates acted as sacrificial anodes-releasing Fe(2 +) cations to the solution, where H(2)O(2) was also added. The Electro-Fenton process was analyzed varying the ferrous ion concentration ([Fe(+ 2)]), the spent caustic's initial temperature and the initial pH. Close to 95% removal of COD (from 8800 mg L(- 1)) was achieved at a pH of 4, a temperature of 40 degrees C and 100 mg L(- 1) of Fe(+ 2) (applying 1 A). Two models were considered to simulate the behavior of the reactor considering (i) axial dispersion and (ii) kinetic rate, respectively. The model that was based on kinetics, proved to be the slightly closest fit to the experimental values.

Electro-Hydrodynamics and Kinetic Modeling of Dry and Humid Air Flows Activated by Corona Discharges

NASA Astrophysics Data System (ADS)

P. Sarrette, J.; Eichwald, O.; Marchal, F.; Ducasse, O.; Yousfi, M.

2016-05-01

The present work is devoted to the 2D simulation of a point-to-plane Atmospheric Corona Discharge Reactor (ACDR) powered by a DC high voltage supply. The corona reactor is periodically crossed by thin mono filamentary streamers with a natural repetition frequency of some tens of kHz. The study compares the results obtained in dry air and in air mixed with a small amount of water vapour (humid air). The simulation involves the electro-dynamics, chemical kinetics and neutral gas hydrodynamics phenomena that influence the kinetics of the chemical species transformation. Each discharge lasts about one hundred of a nanosecond while the post-discharge occurring between two successive discharges lasts one hundred of a microsecond. The ACDR is crossed by a lateral dry or humid air flow initially polluted with 400 ppm of NO. After 5 ms, the time corresponding to the occurrence of 50 successive discharge/post-discharge phases, a higher NO removal rate and a lower ozone production rate are found in humid air. This change is due to the presence of the HO2 species formed from the H primary radical in the discharge zone.

Study on COD removal mechanism and reaction kinetics of oilfield wastewater.

PubMed

Yin, Xian-Qing; Jing, Bo; Chen, Wen-Juan; Zhang, Jian; Liu, Qian; Chen, Wu

2017-11-01

The chemical oxygen demand (COD) removal mechanism and reaction kinetics were mainly studied in the treatment of oilfield oily sewage containing polymer by three-dimensional electrode reactor. The results proved that the residual active oxides O 3 , H 2 O 2 , •OH and active chlorine in the system of electrochemical reaction could be effectively detected, and the COD removal mechanism was co-oxidation of active oxides; Under these experimental conditions: the electrolysis current of 6 A, surface/volume ratio of 6/25(cm 2 ·L -1 ), the reaction time of 50 min, the COD cr of treated sewage was no more than 50 mg·L -1 ; the removal reaction of COD conformed to apparent second-order reaction kinetic model, the correlation coefficient R 2 was 0.9728, and the apparent reaction rate constant was k = 3.58 × 10 -4 (L·min -1 ·mg -1 ·m -2 ). To reach the goal, the COD cr was no more than 50 mg·L -1 in treated sewage, and the theory minimum processing time was 45.73 min. The verification of experimental results was consistent with kinetic equations.

Recovering tubewise power from three-dimensional nodal kinetics calculation during material relocation in an HWR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalimullah; Morris, E.E.; Yang, W.S.

1994-12-31

To analyze severe accidents in some special-purpose heavy-water reactors made of assemblies consisting of a number of coaxial tubes of aluminum-clad U-Al fuel and aluminum-clad neutron-capturing material, a mechanistic model, MARTINS, for tube beatup, melting, and molten material relocation has been developed and integrated with the DIF3D nodal hexagonal-z reactor kinetics and other phenomenological modules. The DIF3D kinetics homogenizes all materials located and computes the total power produced in an axial segment of a fuel assembly. This paper presents an approximate method, used in MARTINS, to calculate the distribution of this total nodal power into the intact fuel and capturingmore » material tubes and the meat-cladding mixtures relocating during tube disruption. The method accounts for the change in intraassembly radial power profile due to assembly geometry change with the progress of segment-by-segment disruption of different tubes. Earlier methods to recover pinwise power from nodal calculation for liquid-metal-cooled reactors and light water reactors (X-Y and hexagonal unit cells) are not practical for a disrupting assembly having material relocation. Figure 1 shows the assembly`s end view, divided into rings for modeling and analysis. A ring is a coolant subchannel plus the outer surrounding tube. The present method for distributing the nodal power consists of two parts: (a) calculation of the relative values of ring-by-ring power per unit uranium mass and power per unit mass of neutron-capturing material in a given assembly segment, and (b) normalization of these relative values such that the total power of all rings (intact tubes and U-Al-Cp meat-cladding mixtures, where Cp implies the neutron-capturing material) equals the DIF3D-calculated nodal power for the assembly axial segment.« less

Analytical solutions for coagulation and condensation kinetics of composite particles

NASA Astrophysics Data System (ADS)

Piskunov, Vladimir N.

2013-04-01

The processes of composite particles formation consisting of a mixture of different materials are essential for many practical problems: for analysis of the consequences of accidental releases in atmosphere; for simulation of precipitation formation in clouds; for description of multi-phase processes in chemical reactors and industrial facilities. Computer codes developed for numerical simulation of these processes require optimization of computational methods and verification of numerical programs. Kinetic equations of composite particle formation are given in this work in a concise form (impurity integrated). Coagulation, condensation and external sources associated with nucleation are taken into account. Analytical solutions were obtained in a number of model cases. The general laws for fraction redistribution of impurities were defined. The results can be applied to develop numerical algorithms considerably reducing the simulation effort, as well as to verify the numerical programs for calculation of the formation kinetics of composite particles in the problems of practical importance.

Electrospray micromixer chip for on-line derivatization and kinetic studies.

PubMed

Abonnenc, Mélanie; Dayon, Loïc; Perruche, Brice; Lion, Niels; Girault, Hubert H

2008-05-01

An electrospray microchip for mass spectrometry comprising an integrated passive mixer to carry out on-chip chemical derivatizations is described. The microchip fabricated using UV-photoablation is composed of two microchannels linked together by a liquid junction. Downstream of this liquid junction, a mixing unit made of parallel oblique grooves is integrated to the microchannel in order to create flow perturbations. Several mixer designs are evaluated. The mixer efficiency is investigated both by fluorescence study and mass spectrometric monitoring of the tagging reaction of cysteinyl peptides with 1,4-benzoquinone. The comparisons with a microchip without a mixing unit and a kinetic model are used to assess the efficiency of the mixer showing tagging kinetics close to that of bulk reactions in an ideally mixed reactor. As an ultimate application, the electrospray micromixer is implemented in a LC-MS workflow. On-line derivatization of albumin tryptic peptides after a reversed-phase separation and counting of their cysteines drastically enhance the protein identification.

OBJECT KINETIC MONTE CARLO SIMULATIONS OF RADIATION DAMAGE IN TUNGSTEN SUBJECTED TO NEUTRON FLUX WITH PKA SPECTRUM CORRESPONDING TO THE HFIR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.

2015-12-31

The objective of this work is to study the damage accumulation in pure tungsten (W) subjected to neutron bombardment with a primary knock-on atom (PKA) spectrum corresponding to the High Flux Isotope Reactor (HFIR), using the object kinetic Monte Carlo (OKMC) method.

A comparison of mass transfer coefficients between trickle-bed, hollow fiber membrane and stirred tank reactors.

PubMed

Orgill, James J; Atiyeh, Hasan K; Devarapalli, Mamatha; Phillips, John R; Lewis, Randy S; Huhnke, Raymond L

2013-04-01

Trickle-bed reactor (TBR), hollow fiber membrane reactor (HFR) and stirred tank reactor (STR) can be used in fermentation of sparingly soluble gasses such as CO and H2 to produce biofuels and bio-based chemicals. Gas fermenting reactors must provide high mass transfer capabilities that match the kinetic requirements of the microorganisms used. The present study compared the volumetric mass transfer coefficient (K(tot)A/V(L)) of three reactor types; the TBR with 3 mm and 6 mm beads, five different modules of HFRs, and the STR. The analysis was performed using O2 as the gaseous mass transfer agent. The non-porous polydimethylsiloxane (PDMS) HFR provided the highest K(tot)A/V(L) (1062 h(-1)), followed by the TBR with 6mm beads (421 h(-1)), and then the STR (114 h(-1)). The mass transfer characteristics in each reactor were affected by agitation speed, and gas and liquid flow rates. Furthermore, issues regarding the comparison of mass transfer coefficients are discussed. Copyright © 2013 Elsevier Ltd. All rights reserved.

Modeling and simulation of an enzymatic reactor for hydrolysis of palm oil.

PubMed

Bhatia, S; Naidu, A D; Kamaruddin, A H

1999-01-01

Hydrolysis of palm oil has become an important process in Oleochemical industries. Therefore, an investigation was carried out for hydrolysis of palm oil to fatty acid and glycerol using immobilized lipase in packed bed reactor. The conversion vs. residence time data were used in Michaelis-Menten rate equation to evaluate the kinetic parameters. A mathematical model for the rate of palm oil hydrolysis was proposed incorporating role of external mass transfer and pore diffusion. The model was simulated for steady-state isothermal operation of immobilized lipase packed bed reactor. The experimental data were compared with the simulated results. External mass transfer was found to affect the rate of palm oil hydrolysis at higher residence time.

Finding the chemistry in biomass pyrolysis: Millisecond chemical kinetics and visualization

NASA Astrophysics Data System (ADS)

Krumm, Christoph

Biomass pyrolysis is a promising thermochemical method for producing fuels and chemicals from renewable sources. Development of a fundamental understanding of biomass pyrolysis chemistry is difficult due to the multi-scale and multi-phase nature of the process; biomass length scales span 11 orders of magnitude and pyrolysis phenomena include solid, liquid, and gas phase chemistry in addition to heat and mass transfer. These complexities have a significant effect on chemical product distributions and lead to variability between reactor technologies. A major challenge in the study of biomass pyrolysis is the development of kinetic models capable of describing hundreds of millisecond-scale reactions of biomass into lower molecular weight products. In this work, a novel technique for studying biomass pyrolysis provides the first- ever experimental determination of kinetics and rates of formation of the primary products from cellulose pyrolysis, providing insight into the millisecond-scale chemical reaction mechanisms. These findings highlight the importance of heat and mass transport limitations for cellulose pyrolysis chemistry and are used to identify the length scales at which transport limitations become relevant during pyrolysis. Through this technique, a transition is identified, known as the reactive melting point, between low and high temperature depolymerization. The transition between two mechanisms of cellulose decompositions unifies the mechanisms that govern low temperature char formation, intermediate pyrolysis conditions, and high temperature gas formation. The conditions under which biomass undergoes pyrolysis, including modes of heat transfer, have been shown to significantly affect the distribution of biorenewable chemical and fuel products. High-speed photography is used to observe the liftoff of initially crystalline cellulose particles when impinged on a heated surface, known as the Leidenfrost effect for room-temperature liquids. Order

Wave-Particle Energy Exchange Directly Observed in a Kinetic Alfven-Branch Wave

NASA Technical Reports Server (NTRS)

Gershman, Daniel J.; F-Vinas, Adolfo; Dorelli, John C.; Boardsen, Scott A. (Inventor); Avanov, Levon A.; Bellan, Paul M.; Schwartz, Steven J.; Lavraud, Benoit; Coffey, Victoria N.; Chandler, Michael O.;

Two-phase anaerobic digestion of source sorted OFMSW (organic fraction of municipal solid waste): performance and kinetic study.

PubMed

Pavan, P; Battistoni, P; Cecchi, F; Mata-Alvarez, J

2000-01-01

The results of a two-phase system operated in different conditions, treating the source-sorted organic fraction of municipal solid waste (SS-OFMSW), coming mainly from fruit and vegetable markets, are presented. Hydraulic retention time (HRT) in the hydrolytic reactor and in the methanogenic reactor and also the temperature in the hydrolytic reactor (mesophilic and thermophilic conditions) are varied in order to evaluate the effect of these factors. The methanogenic reactor is always operated within the thermophilic range. Optimum operating conditions are found to be around 12 days (total system) using the mesophilic range of temperature in the first reactor. Specific gas production (SGP) in these conditions is around 0.6 m3/kg TVS. A kinetic study is also carried out, using the first and the step diffusional models. The latter gives much better results, with fitted constants comparable to other studies. Finally, a comparison with a one-phase system is carried out, showing that a two-phase system is much more appropriate for the digestion of this kind of highly biodegradable substrate in thermophilic conditions.

Ammonia removal in electrochemical oxidation: mechanism and pseudo-kinetics.

PubMed

Li, Liang; Liu, Yan

2009-01-30

This paper investigated the mechanism and pseudo-kinetics for removal of ammonia by electrochemical oxidation with RuO(2)/Ti anode using batch tests. The results show that the ammonia oxidation rates resulted from direct oxidation at electrode-liquid interfaces of the anode by stepwise dehydrogenation, and from indirect oxidation by hydroxyl radicals were so slow that their contribution to ammonia removal was negligible under the condition with Cl(-). The oxidation rates of ammonia ranged from 1.0 to 12.3 mg N L(-1)h(-1) and efficiency reached nearly 100%, primarily due to the indirect oxidation of HOCl, and followed pseudo zero-order kinetics in electrochemical oxidation with Cl(-). About 88% ammonia was removed from the solution. The removed one was subsequently found in the form of N(2) in the produced gas. The rate at which Cl(-) lost electrons at the anode was a major factor in the overall ammonia oxidation. Current density and Cl(-) concentration affected the constant of the pseudo zero-order kinetics, expressed by k=0.0024[Cl(-)]xj. The ammonia was reduced to less than 0.5 mg N L(-1) after 2h of electrochemical oxidation for the effluent from aerobic or anaerobic reactors which treated municipal wastewater. This result was in line with the strict discharge requirements.

Quantification of protein interaction kinetics in a micro droplet

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yin, L. L.; College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044; Wang, S. P., E-mail: shaopeng.wang@asu.edu, E-mail: njtao@asu.edu

Characterization of protein interactions is essential to the discovery of disease biomarkers, the development of diagnostic assays, and the screening for therapeutic drugs. Conventional flow-through kinetic measurements need relative large amount of sample that is not feasible for precious protein samples. We report a novel method to measure protein interaction kinetics in a single droplet with sub microliter or less volume. A droplet in a humidity-controlled environmental chamber is replacing the microfluidic channels as the reactor for the protein interaction. The binding process is monitored by a surface plasmon resonance imaging (SPRi) system. Association curves are obtained from the averagemore » SPR image intensity in the center area of the droplet. The washing step required by conventional flow-through SPR method is eliminated in the droplet method. The association and dissociation rate constants and binding affinity of an antigen-antibody interaction are obtained by global fitting of association curves at different concentrations. The result obtained by this method is accurate as validated by conventional flow-through SPR system. This droplet-based method not only allows kinetic studies for proteins with limited supply but also opens the door for high-throughput protein interaction study in a droplet-based microarray format that enables measurement of many to many interactions on a single chip.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oßwald, Patrick; Köhler, Markus

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 experimentalmore » 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.« less

Gaseous-fuel nuclear reactor research for multimegawatt power in space

NASA Technical Reports Server (NTRS)

Thom, K.; Schneider, R. T.; Helmick, H. H.

1977-01-01

In the gaseous-fuel reactor concept, the fissile material is contained in a moderator-reflector cavity and exists in the form of a flowing gas or plasma separated from the cavity walls by means of fluid mechanical forces. Temperatures in excess of structural limitations are possible for low-specific-mass power and high-specific-impulse propulsion in space. Experiments have been conducted with a canister filled with enriched UF6 inserted into a beryllium-reflected cavity. A theoretically predicted critical mass of 6 kg was measured. The UF6 was also circulated through this cavity, demonstrating stable reactor operation with the fuel in motion. Because the flowing gaseous fuel can be continuously processed, the radioactive waste in this type of reactor can be kept small. Another potential of fissioning gases is the possibility of converting the kinetic energy of fission fragments directly into coherent electromagnetic radiation, the nuclear pumping of lasers. Numerous nuclear laser experiments indicate the possibility of transmitting power in space directly from fission energy. The estimated specific mass of a multimegawatt gaseous-fuel reactor power system is from 1 to 5 kg/kW while the companion laser-power receiver station would be much lower in specific mass.

Microchannel Reactor System Design & Demonstration For On-Site H2O2 Production by Controlled H2/O2 Reaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adeniyi Lawal

We successfully demonstrated an innovative hydrogen peroxide (H2O2) production concept which involved the development of flame- and explosion-resistant microchannel reactor system for energy efficient, cost-saving, on-site H2O2 production. We designed, fabricated, evaluated, and optimized a laboratory-scale microchannel reactor system for controlled direct combination of H2 and O2 in all proportions including explosive regime, at a low pressure and a low temperature to produce about 1.5 wt% H2O2 as proposed. In the second phase of the program, as a prelude to full-scale commercialization, we demonstrated our H2O2 production approach by ‘numbering up’ the channels in a multi-channel microreactor-based pilot plant tomore » produce 1 kg/h of H2O2 at 1.5 wt% as demanded by end-users of the developed technology. To our knowledge, we are the first group to accomplish this significant milestone. We identified the reaction pathways that comprise the process, and implemented rigorous mechanistic kinetic studies to obtain the kinetics of the three main dominant reactions. We are not aware of any such comprehensive kinetic studies for the direct combination process, either in a microreactor or any other reactor system. We showed that the mass transfer parameter in our microreactor system is several orders of magnitude higher than what obtains in the macroreactor, attesting to the superior performance of microreactor. A one-dimensional reactor model incorporating the kinetics information enabled us to clarify certain important aspects of the chemistry of the direct combination process as detailed in section 5 of this report. Also, through mathematical modeling and simulation using sophisticated and robust commercial software packages, we were able to elucidate the hydrodynamics of the complex multiphase flows that take place in the microchannel. In conjunction with the kinetics information, we were able to validate the experimental data. If fully implemented across the

Degradation kinetics of di-(2-ethylhexyl) phthalate (DEHP) and organic matter of sewage sludge during composting.

PubMed

Cheng, Hsiao-Fen; Kumar, Mathava; Lin, Jih-Gaw

2008-06-15

The potential degradation of di-(2-ethylhexyl) phthalate (DEHP) and organic matter of sewage sludge by composting was investigated using laboratory reactor at different operating conditions (E-1, E-2 and E-3). In all conditions, single stage thermophilic phase was observed within 2 days and almost, 60% of DEHP was degraded under this phase. At the end of composting, total DEHP degradation of more than 85% was observed in all conditions and total carbon reduction was 11.8% in E-1, 7.6% in E-2 and 10.8% in E-3. Similar trend was observed in the degradation of total nitrogen. The reduction of volatile solids (VS) in the composting reactors was 5.4% in E-1 (18 days), 5.5% in E-2 (12 days) and 4.3% in E-3 (18 days). The degradation kinetics of DEHP in thermophilic phase (including initial mesophilic phase) and the phase there after were determined by first order and fractional power kinetics, respectively. The significance of experimental parameters in DEHP degradation was assessed by Pearson correlation approach. Elevated temperature produced during composting was effective for the rapid degradation of DEHP from sewage sludge compared to mesophilic treatment.

Experimental and numerical studies of burning velocities and kinetic modeling for practical and surrogate fuels

NASA Astrophysics Data System (ADS)

Zhao, Zhenwei

To help understand the fuel oxidation process in practical combustion environments, laminar flame speeds and high temperature chemical kinetic models were studied for several practical fuels and "surrogate" fuels, such as propane, dimethyl ether (DME), and primary reference fuel (PRF) mixtures, gasoline and n-decane. The PIV system developed for the present work is described. The general principles for PIV measurements are outlined and the specific considerations are also reported. Laminar flame speeds were determined for propane/air over a range of equivalence ratios at initial temperature of 298 K, 500 K and 650 K and atmospheric pressure. Several data sets for propane/air laminar flame speeds with N 2 dilution are also reported. These results are compared to the literature data collected at the same conditions. The propane flame speed is also numerically calculated with a detailed kinetic model and multi component diffusion, including Soret effects. This thesis also presents experimentally determined laminar flame speeds for primary reference fuel (PRF) mixtures of n-heptane/iso-octane and real gasoline fuel at different initial temperature and at atmospheric pressure. Nitrogen dilution effects on the laminar flame speed are also studied for selected equivalence ratios at the same conditions. A minimization of detailed kinetic model for PRF mixtures on laminar flame speed conditions was performed and the measured flame speeds were compared with numerical predictions using this model. The measured laminar flame speeds of n-decane/air mixtures at 500 K and at atmospheric pressure with and without dilution were determined. The measured flame speeds are significantly different that those predicted using existing published kinetic models, including a model validated previously against high temperature data from flow reactor, jet-stirred reactor, shock tube ignition delay, and burner stabilized flame experiments. A significant update of this model is described which

Kinetics of scrap tyre pyrolysis under vacuum conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lopez, Gartzen; Aguado, Roberto; Olazar, Martin

2009-10-15

Scrap tyre pyrolysis under vacuum is attractive because it allows easier product condensation and control of composition (gas, liquid and solid). With the aim of determining the effect of vacuum on the pyrolysis kinetics, a study has been carried out in thermobalance. Two data analysis methods have been used in the kinetic study: (i) the treatment of experimental data of weight loss and (ii) the deconvolution of DTG (differential thermogravimetry) curve. The former allows for distinguishing the pyrolysis of the three main components (volatile components, natural rubber and styrene-butadiene rubber) according to three successive steps. The latter method identifies themore » kinetics for the pyrolysis of individual components by means of DTG curve deconvolution. The effect of vacuum in the process is significant. The values of activation energy for the pyrolysis of individual components of easier devolatilization (volatiles and NR) are lower for pyrolysis under vacuum with a reduction of 12 K in the reaction starting temperature. The kinetic constant at 503 K for devolatilization of volatile additives at 0.25 atm is 1.7 times higher than that at 1 atm, and that corresponding to styrene-butadiene rubber at 723 K is 2.8 times higher. Vacuum enhances the volatilization and internal diffusion of products in the pyrolysis process, which contributes to attenuating the secondary reactions of the repolymerization and carbonization of these products on the surface of the char (carbon black). The higher quality of carbon black is interesting for process viability. The large-scale implementation of this process in continuous mode requires a comparison to be made between the economic advantages of using a vacuum and the energy costs, which will be lower when the technologies used for pyrolysis require a lower ratio between reactor volume and scrap tyre flow rate.« less

Kinetics of scrap tyre pyrolysis under vacuum conditions.

PubMed

Lopez, Gartzen; Aguado, Roberto; Olazar, Martín; Arabiourrutia, Miriam; Bilbao, Javier

2009-10-01

Scrap tyre pyrolysis under vacuum is attractive because it allows easier product condensation and control of composition (gas, liquid and solid). With the aim of determining the effect of vacuum on the pyrolysis kinetics, a study has been carried out in thermobalance. Two data analysis methods have been used in the kinetic study: (i) the treatment of experimental data of weight loss and (ii) the deconvolution of DTG (differential thermogravimetry) curve. The former allows for distinguishing the pyrolysis of the three main components (volatile components, natural rubber and styrene-butadiene rubber) according to three successive steps. The latter method identifies the kinetics for the pyrolysis of individual components by means of DTG curve deconvolution. The effect of vacuum in the process is significant. The values of activation energy for the pyrolysis of individual components of easier devolatilization (volatiles and NR) are lower for pyrolysis under vacuum with a reduction of 12K in the reaction starting temperature. The kinetic constant at 503K for devolatilization of volatile additives at 0.25atm is 1.7 times higher than that at 1atm, and that corresponding to styrene-butadiene rubber at 723K is 2.8 times higher. Vacuum enhances the volatilization and internal diffusion of products in the pyrolysis process, which contributes to attenuating the secondary reactions of the repolymerization and carbonization of these products on the surface of the char (carbon black). The higher quality of carbon black is interesting for process viability. The large-scale implementation of this process in continuous mode requires a comparison to be made between the economic advantages of using a vacuum and the energy costs, which will be lower when the technologies used for pyrolysis require a lower ratio between reactor volume and scrap tyre flow rate.

Isothermal and thermal-mechanical fatigue of VVER-440 reactor pressure vessel steels

NASA Astrophysics Data System (ADS)

Fekete, Balazs; Trampus, Peter

2015-09-01

The fatigue life of the structural materials 15Ch2MFA (CrMoV-alloyed ferritic steel) and 08Ch18N10T (CrNi-alloyed austenitic steel) of VVER-440 reactor pressure vessel under completely reserved total strain controlled low cycle fatigue tests were investigated. An advanced test facility was developed for GLEEBLE-3800 physical simulator which was able to perform thermomechanical fatigue experiments under in-service conditions of VVER nuclear reactors. The low cycle fatigue results were evaluated with the plastic strain based Coffin-Manson law, and plastic strain energy based model as well. It was shown that both methods are able to predict the fatigue life of reactor pressure vessel steels accurately. Interrupted fatigue tests were also carried out to investigate the kinetic of the fatigue evolution of the materials. On these samples microstructural evaluation by TEM was performed. The investigated low cycle fatigue behavior can provide reference for remaining life assessment and lifetime extension analysis.

Prediction of acid hydrolysis of lignocellulosic materials in batch and plug flow reactors.

PubMed

Jaramillo, Oscar Johnny; Gómez-García, Miguel Ángel; Fontalvo, Javier

2013-08-01

This study unifies contradictory conclusions reported in literature on acid hydrolysis of lignocellulosic materials, using batch and plug flow reactors, regarding the influence of the initial liquid ratio of acid aqueous solution to solid lignocellulosic material on sugar yield and concentration. The proposed model takes into account the volume change of the reaction media during the hydrolysis process. An error lower than 8% was found between predictions, using a single set of kinetic parameters for several liquid to solid ratios, and reported experimental data for batch and plug flow reactors. For low liquid-solid ratios, the poor wetting and the acid neutralization, due to the ash presented in the solid, will both reduce the sugar yield. Also, this study shows that both reactors are basically equivalent in terms of the influence of the liquid to solid ratio on xylose and glucose yield. Copyright © 2013 Elsevier Ltd. All rights reserved.

Decay-ratio calculation in the frequency domain with the LAPUR code using 1D-kinetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Munoz-Cobo, J. L.; Escriva, A.; Garcia, C.

This paper deals with the problem of computing the Decay Ratio in the frequency domain codes as the LAPUR code. First, it is explained how to calculate the feedback reactivity in the frequency domain using slab-geometry i.e. 1D kinetics, also we show how to perform the coupling of the 1D kinetics with the thermal-hydraulic part of the LAPUR code in order to obtain the reactivity feedback coefficients for the different channels. In addition, we show how to obtain the reactivity variation in the complex domain by solving the eigenvalue equation in the frequency domain and we compare this result withmore » the reactivity variation obtained in first order perturbation theory using the 1D neutron fluxes of the base case. Because LAPUR works in the linear regime, it is assumed that in general the perturbations are small. There is also a section devoted to the reactivity weighting factors used to couple the reactivity contribution from the different channels to the reactivity of the entire reactor core in point kinetics and 1D kinetics. Finally we analyze the effects of the different approaches on the DR value. (authors)« less

Accident analysis of heavy water cooled thorium breeder reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yulianti, Yanti; Su’ud, Zaki; Takaki, Naoyuki

2015-04-16

Thorium has lately attracted considerable attention because it is accumulating as a by-product of large scale rare earth mining. The objective of research is to analyze transient behavior of a heavy water cooled thorium breeder that is designed by Tokai University and Tokyo Institute of Technology. That is oxide fueled, PWR type reactor with heavy water as primary coolant. An example of the optimized core has relatively small moderator to fuel volume ratio (MFR) of 0.6 and the characteristics of the core are burn-up of 67 GWd/t, breeding ratio of 1.08, burn-up reactivity loss during cycles of < 0.2% dk/k,more » and negative coolant reactivity coefficient. One of the nuclear reactor accidents types examined here is Unprotected Transient over Power (UTOP) due to withdrawing of the control rod that result in the positive reactivity insertion so that the reactor power will increase rapidly. Another accident type is Unprotected Loss of Flow (ULOF) that caused by failure of coolant pumps. To analyze the reactor accidents, neutron distribution calculation in the nuclear reactor is the most important factor. The best expression for the neutron distribution is the Boltzmann transport equation. However, solving this equation is very difficult so that the space-time diffusion equation is commonly used. Usually, space-time diffusion equation is solved by employing a point kinetics approach. However, this approach is less accurate for a spatially heterogeneous nuclear reactor and the nuclear reactor with quite large reactivity input. Direct method is therefore used to solve space-time diffusion equation which consider spatial factor in detail during nuclear reactor accident simulation. Set of equations that obtained from full implicit finite-difference method is solved by using iterative methods. The indication of UTOP accident is decreasing macroscopic absorption cross-section that results large external reactivity, and ULOF accident is indicated by decreasing coolant flow

Optimization of semi-continuous anaerobic digestion of sugarcane straw co-digested with filter cake: Effects of macronutrients supplementation on conversion kinetics.

PubMed

Janke, Leandro; Weinrich, Sören; Leite, Athaydes F; Schüch, Andrea; Nikolausz, Marcell; Nelles, Michael; Stinner, Walter

2017-12-01

Anaerobic digestion of sugarcane straw co-digested with sugarcane filter cake was investigated with a special focus on macronutrients supplementation for an optimized conversion process. Experimental data from batch tests and a semi-continuous experiment operated in different supplementation phases were used for modeling the conversion kinetics based on continuous stirred-tank reactors. The semi-continuous experiment showed an overall decrease in the performance along the inoculum washout from the reactors. By supplementing nitrogen alone or in combination to phosphorus and sulfur the specific methane production significantly increased (P<0.05) by 17% and 44%, respectively. Although the two-pool one-step model has fitted well to the batch experimental data (R 2 >0.99), the use of the depicted kinetics did not provide a good estimation for process simulation of the semi-continuous process (in any supplementation phase), possibly due to the different feeding modes and inoculum source, activity and adaptation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Treatment of Slaughter House Wastewater in a Sequencing Batch Reactor: Performance Evaluation and Biodegradation Kinetics

PubMed Central

Kundu, Pradyut; Debsarkar, Anupam; Mukherjee, Somnath

2013-01-01

Slaughterhouse wastewater contains diluted blood, protein, fat, and suspended solids, as a result the organic and nutrient concentration in this wastewater is vary high and the residues are partially solubilized, leading to a highly contaminating effect in riverbeds and other water bodies if the same is let off untreated. The performance of a laboratory-scale Sequencing Batch Reactor (SBR) has been investigated in aerobic-anoxic sequential mode for simultaneous removal of organic carbon and nitrogen from slaughterhouse wastewater. The reactor was operated under three different variations of aerobic-anoxic sequence, namely, (4+4), (5+3), and (3+5) hr. of total react period with two different sets of influent soluble COD (SCOD) and ammonia nitrogen (NH4 +-N) level 1000 ± 50 mg/L, and 90 ± 10 mg/L, 1000 ± 50 mg/L and 180 ± 10 mg/L, respectively. It was observed that from 86 to 95% of SCOD removal is accomplished at the end of 8.0 hr of total react period. In case of (4+4) aerobic-anoxic operating cycle, a reasonable degree of nitrification 90.12 and 74.75% corresponding to initial NH4 +-N value of 96.58 and 176.85 mg/L, respectively, were achieved. The biokinetic coefficients (k, K s, Y, k d) were also determined for performance evaluation of SBR for scaling full-scale reactor in future operation. PMID:24027751

Fluidized-bed pyrolysis of oil shale: oil yield, composition, and kinetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Richardson, J H; Huss, E B; Ott, L L

1982-09-01

A quartz isothermal fluidized-bed reactor has been used to measure kinetics and oil properties relevant to surface processing of oil shale. The rate of oil formation has been described with two sequential first-order rate equations characterized by two rate constants, k/sub 1/ = 2.18 x 10/sup 10/ exp(-41.6 kcal/RT) s/sup -1/ and k/sub 2/ = 4.4 x 10/sup 6/ exp(-29.7 kcal/RT) s/sup -1/. These rate constants together with an expression for the appropriate weighting coefficients describe approximately 97/sup +/% of the total oil produced. A description is given of the results of different attempts to mathematically describe the data inmore » a manner suitable for modeling applications. Preliminary results are also presented for species-selective kinetics of methane, ethene, ethane and hydrogen, where the latter is clearly distinguished as the product of a distinct intermediate. Oil yields from Western oil shale are approximately 100% Fischer assay. Oil composition is as expected based on previous work and the higher heating rates (temperatures) inherent in fluidized-bed pyrolysis. Neither the oil yield, composition nor the kinetics varied with particle size between 0.2 and 2.0 mm within experimental error. The qualitatively expected change in oil composition due to cracking was observed over the temperature range studied (460 to 540/sup 0/C). Eastern shale exhibited significantly faster kinetics and higher oil yields than did Western shale.« less

Breeding of 233U in the thorium-uranium fuel cycle in VVER reactors using heavy water

NASA Astrophysics Data System (ADS)

Marshalkin, V. E.; Povyshev, V. M.

2015-12-01

A method is proposed for achieving optimal neutron kinetics and efficient isotope transmutation in the 233U-232Th oxide fuel of water-moderated reactors with variable water composition (D2O, H2O) that ensures breeding of the 233U and 235U isotopes. The method is comparatively simple to implement.

Modeling a Packed Bed Reactor Utilizing the Sabatier Process

NASA Technical Reports Server (NTRS)

Shah, Malay G.; Meier, Anne J.; Hintze, Paul E.

2017-01-01

A numerical model is being developed using Python which characterizes the conversion and temperature profiles of a packed bed reactor (PBR) that utilizes the Sabatier process; the reaction produces methane and water from carbon dioxide and hydrogen. While the specific kinetics of the Sabatier reaction on the RuAl2O3 catalyst pellets are unknown, an empirical reaction rate equation1 is used for the overall reaction. As this reaction is highly exothermic, proper thermal control is of the utmost importance to ensure maximum conversion and to avoid reactor runaway. It is therefore necessary to determine what wall temperature profile will ensure safe and efficient operation of the reactor. This wall temperature will be maintained by active thermal controls on the outer surface of the reactor. Two cylindrical PBRs are currently being tested experimentally and will be used for validation of the Python model. They are similar in design except one of them is larger and incorporates a preheat loop by feeding the reactant gas through a pipe along the center of the catalyst bed. The further complexity of adding a preheat pipe to the model to mimic the larger reactor is yet to be implemented and validated; preliminary validation is done using the smaller PBR with no reactant preheating. When mapping experimental values of the wall temperature from the smaller PBR into the Python model, a good approximation of the total conversion and temperature profile has been achieved. A separate CFD model incorporates more complex three-dimensional effects by including the solid catalyst pellets within the domain. The goal is to improve the Python model to the point where the results of other reactor geometry can be reasonably predicted relatively quickly when compared to the much more computationally expensive CFD approach. Once a reactor size is narrowed down using the Python approach, CFD will be used to generate a more thorough prediction of the reactors performance.

Experimental determination of neutron lifetimes through macroscopic neutron noise in the IPEN/MB-01 reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gonnelli, Eduardo; Diniz, Ricardo

2013-05-06

The neutron lifetimes of the core, reflector, and global were experimentally obtained through macroscopic neutron noise in the IPEN/MB-01 reactor for five levels of subcriticality. The theoretical Auto Power Spectral Densities were derived by point kinetic equations taking the reflector effect into account, and one of the approaches consider an additional group of delayed neutrons.

A study of thermal hydraulic and kinetic phenomena in HYLIFE-2: An inertial confinement fusion reactor

NASA Astrophysics Data System (ADS)

Chen, Xiang Ming

1993-01-01

Researchers have studied the different aspects of commercial fusion energy for several decades. A variety of inertial confinement fusion (ICF) reactors have been proposed. Different from the magnetic confinement fusion concept, inertial confinement fusion does not need long-term confinement of the fusion fuel but achieves fusion reaction in a short microexplosion under a high density, high temperature condition. The HYLIFE-2 reactor design started in 1987 is based on the study of a previous concept called HYLIFE (High Yield Lithium Injection Fusion Energy). Similar to the old concept, the HYLIFE-2 design uses a vacuum chamber in which D-T fusion pellets are injected and ignited by high energy beams shot into the reactor through different ports. The reactor vessel is protected from explosion radiations by a liquid fall (blanket) that also breeds tritium through the (n, alpha) reaction of lithium and conveys the fusion energy to the power cycle. In addition to some geometric chances, the new design replaces liquid metal lithium with the molten salt Flibe (Li2BeF4) as the protective blanket material. The objective was to remove the possibility of fire hazard. The important thermal hydraulic issues in the design are (1) equation of state of Flibe; (2) liquid relaxation after isochoric (constant volume) heating; (3) ablation and gas dynamics; (4) interaction of the vapor and liquid; and (5) condensation of the vaporized material. The first four issues have to do with the internal relaxation after the fusion microexplosion in the chamber. Vaporized material, as well as liquid, may assert strong impulses on the chamber wall during the process of relaxing after absorbing the energy from the microexplosion. Item (5) is related to the rapid vacuum recovery between the ignitions. Some aspects of the first four issues are studied.

Integrated horizontal-flow anaerobic and radial-flow aerobic reactors for the removal of organic matter and nitrogen from domestic sewage.

PubMed

Vieira, L G T; Fazolo, A; Zaiat, M; Foresti, E

2003-01-01

This paper presents the conception and discusses the results obtained from the operation of an integrated biological anaerobic/aerobic/anaerobic system composed of horizontal-flow anaerobic and radial-flow aerobic reactors for domestic sewage treatment. The performance of a horizontal-flow anaerobic immobilized biomass reactor, with five stages,followed by a radial-flow aerobic immobilized biomass reactor was evaluated along 22 weeks. After the 14th week, the last stage of the HAIB reactor was used as a denitrifying unit. Polyurethane foam cubic matrices with 1-cm sides were used as support for biomass immobilization in all the units. The influent domestic sewage presented mean chemical oxygen demand of 365 +/- 71 mg. 1(-1) and the temperature was 23 +/- 3degrees C. The integrated system achieved COD removal efficiency of 90% while the maximum ammonium removal efficiency was 97% in the aerobic post-treatment unit. The nitrification process was found to be better represented by first-order reactions in series model. The apparent first-order kinetic coefficient for nitrate formation was about 50 times higher than that estimated for the nitrite formation. The denitrification process was well represented by a Monod-type kinetic model. The maximum specific denitrifying rate and the half-saturation coefficient were 2.9 x 10(-4) mg NO(3)(-)-N mg(-1) VSS h(-1) and 19.4 mg NO(3)(-)-N 1(-1), respectively.

Design of slurry bubble column reactors: novel technique for optimum catalyst size selection contractual origin of the invention

DOEpatents

Gamwo, Isaac K [Murrysville, PA; Gidaspow, Dimitri [Northbrook, IL; Jung, Jonghwun [Naperville, IL

2009-11-17

A method for determining optimum catalyst particle size for a gas-solid, liquid-solid, or gas-liquid-solid fluidized bed reactor such as a slurry bubble column reactor (SBCR) for converting synthesis gas into liquid fuels considers the complete granular temperature balance based on the kinetic theory of granular flow, the effect of a volumetric mass transfer coefficient between the liquid and the gas, and the water gas shift reaction. The granular temperature of the catalyst particles representing the kinetic energy of the catalyst particles is measured and the volumetric mass transfer coefficient between the gas and liquid phases is calculated using the granular temperature. Catalyst particle size is varied from 20 .mu.m to 120 .mu.m and a maximum mass transfer coefficient corresponding to optimum liquid hydrocarbon fuel production is determined. Optimum catalyst particle size for maximum methanol production in a SBCR was determined to be in the range of 60-70 .mu.m.

Kinetics studies of d-glucose hydrogenation over activated charcoal supported platinum catalyst

NASA Astrophysics Data System (ADS)

Ahmed, Muthanna J.

2012-02-01

The kinetics of the catalytic hydrogenation of d-glucose to produce d-sorbitol was studied in a three-phase laboratory scale reactor. The hydrogenation reactions were performed on activated charcoal supported platinum catalyst in the temperature range 25-65°C and in a constant pressure of 1 atm. The kinetic data were modeled by zero, first and second-order reaction equations. In the operating regimes studied, the results show that the hydrogenation reaction was of a first order with respect to d-glucose concentration. Also the activation energy of the reaction was determined, and found to be 12.33 kJ mole-1. A set of experiment was carried out to test the deactivation of the catalyst, and the results show that the deactivation is slow with the ability of using the catalyst for several times with a small decrease in product yield.

Kinetics of substrate utilization and bacterial growth of crude oil degraded by Pseudomonas aeruginosa.

PubMed

Talaiekhozani, Amirreza; Jafarzadeh, Nematollah; Fulazzaky, Mohamad Ali; Talaie, Mohammad Reza; Beheshti, Masoud

2015-01-01

Pollution associated with crude oil (CO) extraction degrades the quality of waters, threatens drinking water sources and may ham air quality. The systems biology approach aims at learning the kinetics of substrate utilization and bacterial growth for a biological process for which very limited knowledge is available. This study uses the Pseudomonas aeruginosa to degrade CO and determines the kinetic parameters of substrate utilization and bacterial growth modeled from a completely mixed batch reactor. The ability of Pseudomonas aeruginosa can remove 91 % of the total petroleum hydrocarbons and 83 % of the aromatic compounds from oily environment. The value k of 9.31 g of substrate g(-1) of microorganism d(-1) could be far higher than the value k obtained for petrochemical wastewater treatment and that for municipal wastewater treatment. The production of new cells of using CO as the sole carbon and energy source can exceed 2(3) of the existing cells per day. The kinetic parameters are verified to contribute to improving the biological removal of CO from oily environment.

Design improvement and performance evaluation of solar photocatalytic reactor for industrial effluent treatment.

PubMed

Nair, Ranjith G; Bharadwaj, P J; Samdarshi, S K

2016-12-01

This work reports the details of the design components and materials used in a linear compound parabolic trough reactor constructed with an aim to use the photocatalyst for solar photocatalytic applications. A compound parabolic trough reactor has been designed and engineered to exploit both UV and visible part of the solar irradiation. The developed compound parabolic trough reactor could receive almost 88% of UV radiation along with a major part of visible radiation. The performance of the reactor has been evaluated in terms of degradation of a probe pollutant using the parameters such as rate constant, residence time and photonic efficiency. An attempt has been made to assess the performance in different ranges of solar spectrum. Finally the developed reactor has been employed for the photocatalytic treatment of a paper mill effluent using Degussa P25 as the photocatalyst. The paper mill effluent collected from Nagaon paper mill, Assam, India has been treated under both batch mode and continuous mode using Degussa P25 photocatalyst under artificial and natural solar radiation, respectively. The photocatalytic degradation kinetics of the paper mill effluent has been determined using the reduction in total organic carbon (TOC) values of the effluent. Copyright © 2015 Elsevier Inc. All rights reserved.

Pressure-accelerated azide-alkyne cycloaddition: micro capillary versus autoclave reactor performance.

PubMed

Borukhova, Svetlana; Seeger, Andreas D; Noël, Timothy; Wang, Qi; Busch, Markus; Hessel, Volker

2015-02-01

Pressure effects on regioselectivity and yield of cycloaddition reactions have been shown to exist. Nevertheless, high pressure synthetic applications with subsequent benefits in the production of natural products are limited by the general availability of the equipment. In addition, the virtues and limitations of microflow equipment under standard conditions are well established. Herein, we apply novel-process-window (NPWs) principles, such as intensification of intrinsic kinetics of a reaction using high temperature, pressure, and concentration, on azide-alkyne cycloaddition towards synthesis of Rufinamide precursor. We applied three main activation methods (i.e., uncatalyzed batch, uncatalyzed flow, and catalyzed flow) on uncatalyzed and catalyzed azide-alkyne cycloaddition. We compare the performance of two reactors, a specialized autoclave batch reactor for high-pressure operation up to 1800 bar and a capillary flow reactor (up to 400 bar). A differentiated and comprehensive picture is given for the two reactors and the three methods of activation. Reaction speedup and consequent increases in space-time yields is achieved, while the process window for favorable operation to selectively produce Rufinamide precursor in good yields is widened. The best conditions thus determined are applied to several azide-alkyne cycloadditions to widen the scope of the presented methodology. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Leachate flush strategies for managing volatile fatty acids accumulation in leach-bed reactors.

PubMed

Riggio, S; Torrijos, M; Vives, G; Esposito, G; van Hullebusch, E D; Steyer, J P; Escudié, R

2017-05-01

In anaerobic leach-bed reactors (LBRs) co-digesting an easily- and a slowly-degradable substrate, the importance of the leachate flush both on extracting volatile fatty acids (VFAs) at the beginning of newly-started batches and on their consumption in mature reactors was tested. Regarding VFA extraction three leachate flush-rate conditions were studied: 0.5, 1 and 2Lkg -1 TSd -1 . Results showed that increasing the leachate flush-rate during the acidification phase is essential to increase degradation kinetics. After this initial phase, leachate injection is less important and the flush-rate could be reduced. The injection in mature reactors of leachate with an acetic acid concentration of 5 or 10gL -1 showed that for an optimized VFA consumption in LBRs, VFAs should be provided straight after the methane production peak in order to profit from a higher methanogenic activity, and every 6-7h to maintain a high biogas production rate. Copyright © 2017 Elsevier Ltd. All rights reserved.

Ultrafiltration membrane reactors for enzymatic resolution of amino acids: design model and optimization.

PubMed

Bódalo, A; Gómez, J L.; Gómez, E; Bastida, J; Máximo, M F.; Montiel, M C.

2001-03-08

In this paper the possibility of continuous resolution of DL-phenylalanine, catalyzed by L-aminoacylase in a ultrafiltration membrane reactor (UFMR) is presented. A simple design model, based on previous kinetic studies, has been demonstrated to be capable of describing the behavior of the experimental system. The model has been used to determine the optimal experimental conditions to carry out the asymmetrical hydrolysis of N-acetyl-DL-phenylalanine.

Presenting a new kinetic model for methanol to light olefins reactions over a hierarchical SAPO-34 catalyst using the Langmuir-Hinshelwood-Hougen-Watson mechanism

NASA Astrophysics Data System (ADS)

Javad Azarhoosh, Mohammad; Halladj, Rouein; Askari, Sima

2017-10-01

In this study, a new kinetic model for methanol to light olefins (MTO) reactions over a hierarchical SAPO-34 catalyst using the Langmuir-Hinshelwood-Hougen-Watson (LHHW) mechanism was presented and the kinetic parameters was obtained using a genetic algorithm (GA) and genetic programming (GP). Several kinetic models for the MTO reactions have been presented. However, due to the complexity of the reactions, most reactions are considered lumped and elementary, which cannot be deemed a completely accurate kinetic model of the process. Therefore, in this study, the LHHW mechanism is presented as kinetic models of MTO reactions. Because of the non-linearity of the kinetic models and existence of many local optimal points, evolutionary algorithms (GA and GP) are used in this study to estimate the kinetic parameters in the rate equations. Via the simultaneous connection of the code related to modelling the reactor and the GA and GP codes in the MATLAB R2013a software, optimization of the kinetic models parameters was performed such that the least difference between the results from the kinetic models and experiential results was obtained and the best kinetic parameters of MTO process reactions were achieved. A comparison of the results from the model with experiential results showed that the present model possesses good accuracy.

Validity of Monod kinetics at different sludge ages--peptone biodegradation under aerobic conditions.

PubMed

Orhon, Derin; Cokgor, Emine Ubay; Insel, Guclu; Karahan, Ozlem; Katipoglu, Tugce

2009-12-01

The study presented an evaluation of the effect of culture history (sludge age) on the growth kinetics of a mixed culture grown under aerobic conditions. It involved an experimental setup where a lab-scale sequencing batch reactor was operated at steady-state at two different sludge ages (theta(X)) of 2 and 10 days. The system sustained a mixed culture fed with a synthetic substrate mainly consisting of peptone. The initial concentration of substrate COD was selected around 500 mg COD/L. Polyhydroxyalkanoate (PHA) storage occurred to a limited extent, around 30 mg COD/L for theta(X)=10 days and 15 mg COD/L for theta(X)=2 days. Evaluation of the experimental data based on calibration of two different models provided consistent and reliable evidence for a variable Monod kinetics where the maximum specific growth rate, was assessed as 6.1/day for theta(X)=2 days and 4.1/day for theta(X)=10 days. A similar variability was also applicable for the hydrolysis and storage kinetics. The rate of storage was significantly lower than the levels reported in the literature, exhibiting the ability of the microorganisms to regulate their metabolic mechanisms for adjusting the rate of microbial growth and storage competing for the same substrate. This adjustment evidently resulted in case-specific, variable kinetics both for microbial growth and substrate storage.

A Neutronic Program for Critical and Nonequilibrium Study of Mobile Fuel Reactors: The Cinsf1D Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lecarpentier, David; Carpentier, Vincent

2003-01-15

Molten salt reactors (MSRs) have the distinction of having a liquid fuel that is also the coolant. The transport of delayed-neutron precursors by the fuel modifies the precursors' equation. As a consequence, it is necessary to adapt the methods currently used for solid fuel reactors to achieve critical or kinetics calculations for an MSR. A program is presented for which this adaptation has been carried out within the framework of the two-energy-group diffusion theory with one dimension of space. This program has been called Cinsf1D (Cinetique pour reacteur a sels fondus 1D)

On direct internal methane steam reforming kinetics in operating solid oxide fuel cells with nickel-ceria anodes

NASA Astrophysics Data System (ADS)

Thallam Thattai, A.; van Biert, L.; Aravind, P. V.

2017-12-01

Major operating challenges remain to safely operate methane fuelled solid oxide fuel cells due to undesirable temperature gradients across the porous anode and carbon deposition. This article presents an experimental study on methane steam reforming (MSR) global kinetics for single operating SOFCs with Ni-GDC (gadolinium doped ceria) anodes for low steam to carbon (S/C) ratios and moderate current densities. The study points out the hitherto insufficient research on MSR global and intrinsic kinetics for operating SOFCs with complete Ni-ceria anodes. Further, it emphasizes the need to develop readily applicable global kinetic models as a subsequent step from previously reported state-of-art and complex intrinsic models. Two rate expressions of the Power law (PL) and Langmuir-Hinshelwood (LH) type have been compared and based on the analysis, limitations of using previously proposed rate expressions for Ni catalytic beds to study MSR kinetics for complete cermet anodes have been identified. Firstly, it has been shown that methane reforming on metallic (Ni) current collectors may not be always negligible, contrary to literature reports. Both PL and LH kinetic models predict significantly different local MSR reaction rate and species partial pressure distributions along the normalized reactor length, indicating a strong need for further experimental verifications.

Planar Multipol-Resonance-Probe: A Spectral Kinetic Approach

NASA Astrophysics Data System (ADS)

Friedrichs, Michael; Gong, Junbo; Brinkmann, Ralf Peter; Oberrath, Jens; Wilczek, Sebastian

2016-09-01

Measuring plasma parameters, e.g. electron density and electron temperature, is an important procedure to verify the stability and behavior of a plasma process. For this purpose the multipole resonance probe (MRP) represents a satisfying solution to measure the electron density. However the influence of the probe on the plasma through its physical presence makes it unattractive for some processes in industrial application. A solution to combine the benefits of the spherical MRP with the ability to integrate the probe into the plasma reactor is introduced by the planar model of the MRP (pMRP). Introducing the spectral kinetic formalism leads to a reduced simulation-circle compared to particle-in-cell simulations. The model of the pMRP is implemented and first simulation results are presented.

An experimental and kinetic modeling study on dimethyl carbonate (DMC) pyrolysis and combustion

DOE PAGES

Sun, Wenyu; Yang, Bin; Hansen, Nils; ...

2015-12-08

Because of the absence of C–C bonds and the large oxygen content in its molecular structure, dimethyl carbonate (DMC) is a promising oxygenated additive or substitute for hydrocarbon fuels. In order to understand its chemical oxidation and combustion kinetics, flow reactor pyrolysis at different pressures (40, 200 and 1040 mbar) and low-pressure laminar premixed flames with different equivalence ratios (1.0 and 1.5) were investigated. Mole fraction profiles of many reaction intermediates and products were obtained within estimated experimental uncertainties. From theoretical calculations and estimations, a detailed kinetic model for DMC pyrolysis and high-temperature combustion consisting of 257 species and 1563more » reactions was developed. The performance of the kinetic model was then analyzed using detailed chemical composition information, primarily from the present measurements. In addition, it was examined against the chemical structure of an opposed-flow diffusion flame, relying on global combustion properties such as the ignition delay times and laminar burning velocities. Furthermore, these extended comparisons yielded overall satisfactory agreement, demonstrating the applicability of the present model over a wide range of high-temperature conditions.« less

Kinetics of Death of Bacterial Spores at Elevated Temperatures

PubMed Central

Wang, Daniel I-C.; Scharer, Jeno; Humphrey, Arthur E.

1964-01-01

The kinetics of death of Bacillus stearothermophilus spores (FS 7954) suspended in phosphate buffer (pH 7) were studied over a temperature range of 127.2 to 143.8 C and exposure times of 0.203 to 4.150 sec. These short exposure were achieved by use of a tubular flow reactor in which a suspension of spores was injected into a hot flowing stream at the entrance of the reactor. Thermal equilibria of the suspension with the hot stream was achieved within 0.0006 sec. After flow through a fixed length of reactor, the stream containing the spores was cooled by flash vaporization and then assayed for viable count. The death rate data were fitted by a logarithmic expression. However, logarithmic death rate was only approximated in the tail or high-kill regions of exposure. Death rate constants obtained from this portion of the data were found to correlate by Arrhenius as well as Absolute Reaction Rate Theory relationships. Thermal-death time curves were found to correlate the data rather poorly. The activation energy and frequency constant for an Arrhenius relationship fit of the data were found to be 83.6 kcal/gmole and 1047.2 min-1, respectively. The standard enthalpy and entropy changes for an Absolute Reaction Rate Theory relationship fit of the data were found to be 84.4 kcal/gmole and 157 cal/gmole-K, respectively. PMID:14215978

On some control problems of dynamic of reactor

NASA Astrophysics Data System (ADS)

Baskakov, A. V.; Volkov, N. P.

2017-12-01

The paper analyzes controllability of the transient processes in some problems of nuclear reactor dynamics. In this case, the mathematical model of nuclear reactor dynamics is described by a system of integro-differential equations consisting of the non-stationary anisotropic multi-velocity kinetic equation of neutron transport and the balance equation of delayed neutrons. The paper defines the formulation of the linear problem on control of transient processes in nuclear reactors with application of spatially distributed actions on internal neutron sources, and the formulation of the nonlinear problems on control of transient processes with application of spatially distributed actions on the neutron absorption coefficient and the neutron scattering indicatrix. The required control actions depend on the spatial and velocity coordinates. The theorems on existence and uniqueness of these control actions are proved in the paper. To do this, the control problems mentioned above are reduced to equivalent systems of integral equations. Existence and uniqueness of the solution for this system of integral equations is proved by the method of successive approximations, which makes it possible to construct an iterative scheme for numerical analyses of transient processes in a given nuclear reactor with application of the developed mathematical model. Sufficient conditions for controllability of transient processes are also obtained. In conclusion, a connection is made between the control problems and the observation problems, which, by to the given information, allow us to reconstruct either the function of internal neutron sources, or the neutron absorption coefficient, or the neutron scattering indicatrix....

Spinodal Decomposition in Multilayered Fe-Cr System: Kinetic Stasis and Wave Instability

NASA Astrophysics Data System (ADS)

Maugis, Philippe; Colignon, Yann; Mangelinck, Dominique; Hoummada, Khalid

2015-08-01

Used as fuel cladding in the Gen IV fission reactors, ODS steels would be held at temperatures in the range of 350°C to 600°C for several months. Under these conditions, spinodal decomposition is likely to occur in the matrix, resulting in an increase of material brittleness. In this study, thin films consisting of a modulated composition in Fe and in Cr in a given direction have been elaborated. The time evolution of the composition profiles during aging at 500°C has been characterized by atom probe tomography, indicating an apparent kinetic stasis of the initial microstructure. A computer model has been developed on the basis of the Cahn-Hilliard theory of spinodal decomposition, associated with the mobility form proposed by Martin (1990). We make the assumption that the initial profile is very close to the amplitude-dependent critical wavelength. Our calculations show that the thin film is unstable relative to wavelength modulations, resulting in the observed kinetic stasis.

Exploring the controls of soil biogeochemistry in a restored coastal wetland using object-oriented computer simulations of uptake kinetics and thermodynamic optimization in batch reactors

NASA Astrophysics Data System (ADS)

Payn, R. A.; Helton, A. M.; Poole, G.; Izurieta, C.; Bernhardt, E. S.; Burgin, A. J.

2012-12-01

Many hypotheses have been proposed to predict patterns of biogeochemical redox reactions based on the availability of electron donors and acceptors and the thermodynamic theory of chemistry. Our objective was to develop a computer model that would allow us to test various alternatives of these hypotheses against data gathered from soil slurry batch reactors, experimental soil perfusion cores, and in situ soil profile observations from the restored Timberlake Wetland in coastal North Carolina, USA. Software requirements to meet this objective included the ability to rapidly develop and compare different hypothetical formulations of kinetic and thermodynamic theory, and the ability to easily change the list of potential biogeochemical reactions used in the optimization scheme. For future work, we also required an object pattern that could easily be coupled with an existing soil hydrologic model. These requirements were met using Network Exchange Objects (NEO), our recently developed object-oriented distributed modeling framework that facilitates simulations of multiple interacting currencies moving through network-based systems. An initial implementation of the object pattern was developed in NEO based on maximizing growth of the microbial community from available dissolved organic carbon. We then used this implementation to build a modeling system for comparing results across multiple simulated batch reactors with varied initial solute concentrations, varied biogeochemical parameters, or varied optimization schemes. Among heterotrophic aerobic and anaerobic reactions, we have found that this model reasonably predicts the use of terminal electron acceptors in simulated batch reactors, where reactions with higher energy yields occur before reactions with lower energy yields. However, among the aerobic reactions, we have also found this model predicts dominance of chemoautotrophs (e.g., nitrifiers) when their electron donor (e.g., ammonium) is abundant, despite the

Design and Application of a High-Temperature Linear Ion Trap Reactor

NASA Astrophysics Data System (ADS)

Jiang, Li-Xue; Liu, Qing-Yu; Li, Xiao-Na; He, Sheng-Gui

2018-01-01

A high-temperature linear ion trap reactor with hexapole design was homemade to study ion-molecule reactions at variable temperatures. The highest temperature for the trapped ions is up to 773 K, which is much higher than those in available reports. The reaction between V2O6 - cluster anions and CO at different temperatures was investigated to evaluate the performance of this reactor. The apparent activation energy was determined to be 0.10 ± 0.02 eV, which is consistent with the barrier of 0.12 eV calculated by density functional theory. This indicates that the current experimental apparatus is prospective to study ion-molecule reactions at variable temperatures, and more kinetic details can be obtained to have a better understanding of chemical reactions that have overall barriers. [Figure not available: see fulltext.

Nuclear reactor transient analysis via a quasi-static kinetics Monte Carlo method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jo, YuGwon; Cho, Bumhee; Cho, Nam Zin, E-mail: nzcho@kaist.ac.kr

2015-12-31

The predictor-corrector quasi-static (PCQS) method is applied to the Monte Carlo (MC) calculation for reactor transient analysis. To solve the transient fixed-source problem of the PCQS method, fission source iteration is used and a linear approximation of fission source distributions during a macro-time step is introduced to provide delayed neutron source. The conventional particle-tracking procedure is modified to solve the transient fixed-source problem via MC calculation. The PCQS method with MC calculation is compared with the direct time-dependent method of characteristics (MOC) on a TWIGL two-group problem for verification of the computer code. Then, the results on a continuous-energy problemmore » are presented.« less

Beyond mean-field approximations for accurate and computationally efficient models of on-lattice chemical kinetics

NASA Astrophysics Data System (ADS)

Pineda, M.; Stamatakis, M.

2017-07-01

Modeling the kinetics of surface catalyzed reactions is essential for the design of reactors and chemical processes. The majority of microkinetic models employ mean-field approximations, which lead to an approximate description of catalytic kinetics by assuming spatially uncorrelated adsorbates. On the other hand, kinetic Monte Carlo (KMC) methods provide a discrete-space continuous-time stochastic formulation that enables an accurate treatment of spatial correlations in the adlayer, but at a significant computation cost. In this work, we use the so-called cluster mean-field approach to develop higher order approximations that systematically increase the accuracy of kinetic models by treating spatial correlations at a progressively higher level of detail. We further demonstrate our approach on a reduced model for NO oxidation incorporating first nearest-neighbor lateral interactions and construct a sequence of approximations of increasingly higher accuracy, which we compare with KMC and mean-field. The latter is found to perform rather poorly, overestimating the turnover frequency by several orders of magnitude for this system. On the other hand, our approximations, while more computationally intense than the traditional mean-field treatment, still achieve tremendous computational savings compared to KMC simulations, thereby opening the way for employing them in multiscale modeling frameworks.

Testing of an Integrated Reactor Core Simulator and Power Conversion System with Simulated Reactivity Feedback

NASA Technical Reports Server (NTRS)

Bragg-Sitton, Shannon M.; Hervol, David S.; Godfroy, Thomas J.

2009-01-01

A Direct Drive Gas-Cooled (DDG) reactor core simulator has been coupled to a Brayton Power Conversion Unit (BPCU) for integrated system testing at NASA Glenn Research Center (GRC) in Cleveland, OH. This is a closed-cycle system that incorporates an electrically heated reactor core module, turbo alternator, recuperator, and gas cooler. Nuclear fuel elements in the gas-cooled reactor design are replaced with electric resistance heaters to simulate the heat from nuclear fuel in the corresponding fast spectrum nuclear reactor. The thermodynamic transient behavior of the integrated system was the focus of this test series. In order to better mimic the integrated response of the nuclear-fueled system, a simulated reactivity feedback control loop was implemented. Core power was controlled by a point kinetics model in which the reactivity feedback was based on core temperature measurements; the neutron generation time and the temperature feedback coefficient are provided as model inputs. These dynamic system response tests demonstrate the overall capability of a non-nuclear test facility in assessing system integration issues and characterizing integrated system response times and response characteristics.

Testing of an Integrated Reactor Core Simulator and Power Conversion System with Simulated Reactivity Feedback

NASA Technical Reports Server (NTRS)

Bragg-Sitton, Shannon M.; Hervol, David S.; Godfroy, Thomas J.

2010-01-01

A Direct Drive Gas-Cooled (DDG) reactor core simulator has been coupled to a Brayton Power Conversion Unit (BPCU) for integrated system testing at NASA Glenn Research Center (GRC) in Cleveland, Ohio. This is a closed-cycle system that incorporates an electrically heated reactor core module, turboalternator, recuperator, and gas cooler. Nuclear fuel elements in the gas-cooled reactor design are replaced with electric resistance heaters to simulate the heat from nuclear fuel in the corresponding fast spectrum nuclear reactor. The thermodynamic transient behavior of the integrated system was the focus of this test series. In order to better mimic the integrated response of the nuclear-fueled system, a simulated reactivity feedback control loop was implemented. Core power was controlled by a point kinetics model in which the reactivity feedback was based on core temperature measurements; the neutron generation time and the temperature feedback coefficient are provided as model inputs. These dynamic system response tests demonstrate the overall capability of a non-nuclear test facility in assessing system integration issues and characterizing integrated system response times and response characteristics.

Preliminary study on new configuration with LEU fuel assemblies for the Dalat nuclear research reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Lam Pham; Vinh Vinh Le; Ton Nghiem Huynh

2008-07-15

The fuel conversion of the Dalat Nuclear Research Reactor (DNRR) is being realized. The DNRR is a pool type research reactor which was reconstructed from the 250 kW TRIGA- MARK II reactor. The reconstructed reactor attained its nominal power of 500 kW in February 1984. According to the results of design and safety analyses performed by the joint study between RERTR Program at Argonne National Laboratory (ANL) and Vietnam Atomic Energy Commission (VAEC) the mixed core of irradiated HEU and new LEU WWR-M2 fuel assemblies will be created soon. This paper presents the results of preliminary study on new configurationmore » with only LEU fuel assemblies for the DNRR. The codes MCNP, REBUS and VARI3D are used to calculate neutron flux performance in irradiation positions and kinetics parameters. The idea of change of Beryllium rod reloading enables to get working configuration assured shutdown margin, thermal-hydraulic safety and increase in thermal neutron flux in neutron trap at the center of DNRR active core. (author)« less

Multiple model approach to evaluation of accelerated carbonation for steelmaking slag in a slurry reactor.

PubMed

Pan, Shu-Yuan; Liu, Hsing-Lu; Chang, E-E; Kim, Hyunook; Chen, Yi-Hung; Chiang, Pen-Chi

2016-07-01

Basic oxygen furnace slag (BOFS) exhibits highly alkaline properties due to its high calcium content, which is beneficial to carbonation reaction. In this study, accelerated carbonation of BOFS was evaluated under different reaction times, temperatures, and liquid-to-solid (L/S) ratios in a slurry reactor. CO2 mass balance within the slurry reactor was carried out to validate the technical feasibility of fixing gaseous CO2 into solid precipitates. After that, a multiple model approach, i.e., theoretical kinetics and empirical surface model, for carbonation reaction was presented to determine the maximal carbonation conversion of BOFS in a slurry reactor. On one hand, the reaction kinetics of BOFS carbonation was evaluated by the shrinking core model (SCM). Calcite (CaCO3) was identified as a reaction product through the scanning electronic microscopy and X-ray diffraction analyses, which provided the rationale of applying the SCM in this study. The rate-limiting step of carbonation was found to be ash-diffusion controlled, and the effective diffusivity for carbonation of BOFS in a slurry reactor were determined accordingly. On the other hand, the carbonation conversion of BOFS was predicted by the response surface methodology (RSM) via a nonlinear mathematical programming. According to the experimental data, the highest carbonation conversion of BOFS achieved was 57% under an L/S ratio of 20 mL g(-1), a CO2 flow rate of 0.1 L min(-1), and a pressure of 101.3 kPa at 50 °C for 120 min. Furthermore, the applications and limitations of SCM and RSM were examined and exemplified by the carbonation of steelmaking slags. Copyright © 2016 Elsevier Ltd. All rights reserved.

Breeding of {sup 233}U in the thorium–uranium fuel cycle in VVER reactors using heavy water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marshalkin, V. E., E-mail: marshalkin@vniief.ru; Povyshev, V. M.

A method is proposed for achieving optimal neutron kinetics and efficient isotope transmutation in the {sup 233}U–{sup 232}Th oxide fuel of water-moderated reactors with variable water composition (D{sub 2}O, H{sub 2}O) that ensures breeding of the {sup 233}U and {sup 235}U isotopes. The method is comparatively simple to implement.

Combustion Chemistry of Fuels: Quantitative Speciation Data Obtained from an Atmospheric High-temperature Flow Reactor with Coupled Molecular-beam Mass Spectrometer.

PubMed

Köhler, Markus; Oßwald, Patrick; Krueger, Dominik; Whitside, Ryan

2018-02-19

This manuscript describes a high-temperature flow reactor experiment coupled to the powerful molecular beam mass spectrometry (MBMS) technique. This flexible tool offers a detailed observation of chemical gas-phase kinetics in reacting flows under well-controlled conditions. The vast range of operating conditions available in a laminar flow reactor enables access to extraordinary combustion applications that are typically not achievable by flame experiments. These include rich conditions at high temperatures relevant for gasification processes, the peroxy chemistry governing the low temperature oxidation regime or investigations of complex technical fuels. The presented setup allows measurements of quantitative speciation data for reaction model validation of combustion, gasification and pyrolysis processes, while enabling a systematic general understanding of the reaction chemistry. Validation of kinetic reaction models is generally performed by investigating combustion processes of pure compounds. The flow reactor has been enhanced to be suitable for technical fuels (e.g. multi-component mixtures like Jet A-1) to allow for phenomenological analysis of occurring combustion intermediates like soot precursors or pollutants. The controlled and comparable boundary conditions provided by the experimental design allow for predictions of pollutant formation tendencies. Cold reactants are fed premixed into the reactor that are highly diluted (in around 99 vol% in Ar) in order to suppress self-sustaining combustion reactions. The laminar flowing reactant mixture passes through a known temperature field, while the gas composition is determined at the reactors exhaust as a function of the oven temperature. The flow reactor is operated at atmospheric pressures with temperatures up to 1,800 K. The measurements themselves are performed by decreasing the temperature monotonically at a rate of -200 K/h. With the sensitive MBMS technique, detailed speciation data is acquired and

Transformation products of clindamycin in moving bed biofilm reactor (MBBR).

PubMed

Ooi, Gordon T H; Escola Casas, Monica; Andersen, Henrik R; Bester, Kai

2017-04-15

Clindamycin is widely prescribed for its ability to treat a number of common bacterial infections. Thus, clindamycin enters wastewater via human excretion or disposal of unused medication and widespread detection of pharmaceuticals in rivers proves the insufficiency of conventional wastewater treatment plants in removing clindamycin. Recently, it has been discovered that attached biofilm reactors, e.g., moving bed biofilm reactors (MBBRs) obtain a higher removal of pharmaceuticals than conventional sludge wastewater treatment plants. Therefore, this study investigated the capability of MBBRs applied in the effluent of conventional wastewater treatment plants to remove clindamycin. First, a batch experiment was executed with a high initial concentration of clindamycin to identify the transformation products. It was shown that clindamycin can be removed from wastewater by MBBR and the treatment process converts clindamycin into the, possibly persistent, products clindamycin sulfoxide and N-desmethyl clindamycin as well as 3 other mono-oxygenated products. Subsequently, the removal kinetics of clindamycin and the formation of the two identified products were investigated in batch experiments using MBBR carriers from polishing and nitrifying reactors. Additionally, the presence of these two metabolites in biofilm-free wastewater effluent was studied. The nitrifying biofilm reactor had a higher biological activity with k-value of 0.1813 h -1 than the reactor with polishing biofilm (k = 0.0161 h -1 ) which again has a much higher biological activity for removal of clindamycin than of the suspended bacteria (biofilm-free control). Clindamycin sulfoxide was the main transformation product which was found in concentrations exceeding 10% of the initial clindamycin concentration after 1 day of MBBR treatment. Thus, MBBRs should not necessarily be considered as reactors mineralizing clindamycin as they perform transformation reactions at least to some extent. Copyright �

A kinetic and equilibrium analysis of silicon carbide chemical vapor deposition on monofilaments

NASA Technical Reports Server (NTRS)

Gokoglu, S. A.; Kuczmarski, M. A.

1993-01-01

Chemical kinetics of atmospheric pressure silicon carbide (SiC) chemical vapor deposition (CVD) from dilute silane and propane source gases in hydrogen is numerically analyzed in a cylindrical upflow reactor designed for CVD on monofilaments. The chemical composition of the SiC deposit is assessed both from the calculated total fluxes of carbon and silicon and from chemical equilibrium considerations for the prevailing temperatures and species concentrations at and along the filament surface. The effects of gas and surface chemistry on the evolution of major gas phase species are considered in the analysis.

Nuclear reactor construction with bottom supported reactor vessel

DOEpatents

Sharbaugh, John E.

1987-01-01

An improved liquid metal nuclear reactor construction has a reactor core and a generally cylindrical reactor vessel for holding a large pool of low pressure liquid metal coolant and housing the core within the pool. The reactor vessel has an open top end, a closed flat bottom end wall and a continuous cylindrical closed side wall interconnecting the top end and bottom end wall. The reactor also has a generally cylindrical concrete containment structure surrounding the reactor vessel and being formed by a cylindrical side wall spaced outwardly from the reactor vessel side wall and a flat base mat spaced below the reactor vessel bottom end wall. A central support pedestal is anchored to the containment structure base mat and extends upwardly therefrom to the reactor vessel and upwardly therefrom to the reactor core so as to support the bottom end wall of the reactor vessel and the lower end of the reactor core in spaced apart relationship above the containment structure base mat. Also, an annular reinforced support structure is disposed in the reactor vessel on the bottom end wall thereof and extends about the lower end of the core so as to support the periphery thereof. In addition, an annular support ring having a plurality of inward radially extending linear members is disposed between the containment structure base mat and the bottom end of the reactor vessel wall and is connected to and supports the reactor vessel at its bottom end on the containment structure base mat so as to allow the reactor vessel to expand radially but substantially prevent any lateral motions that might be imposed by the occurrence of a seismic event. The reactor construction also includes a bed of insulating material in sand-like granular form, preferably being high density magnesium oxide particles, disposed between the containment structure base mat and the bottom end wall of the reactor vessel and uniformly supporting the reactor vessel at its bottom end wall on the containment

Kinetic model of water disinfection using peracetic acid including synergistic effects.

PubMed

Flores, Marina J; Brandi, Rodolfo J; Cassano, Alberto E; Labas, Marisol D

2016-01-01

The disinfection efficiencies of a commercial mixture of peracetic acid against Escherichia coli were studied in laboratory scale experiments. The joint and separate action of two disinfectant agents, hydrogen peroxide and peracetic acid, were evaluated in order to observe synergistic effects. A kinetic model for each component of the mixture and for the commercial mixture was proposed. Through simple mathematical equations, the model describes different stages of attack by disinfectants during the inactivation process. Based on the experiments and the kinetic parameters obtained, it could be established that the efficiency of hydrogen peroxide was much lower than that of peracetic acid alone. However, the contribution of hydrogen peroxide was very important in the commercial mixture. It should be noted that this improvement occurred only after peracetic acid had initiated the attack on the cell. This synergistic effect was successfully explained by the proposed scheme and was verified by experimental results. Besides providing a clearer mechanistic understanding of water disinfection, such models may improve our ability to design reactors.

Effect of thiosulfate on rapid start-up of sulfur-based reduction of high concentrated perchlorate: A study of kinetics, extracellular polymeric substances (EPS) and bacterial community structure.

PubMed

Guo, Jianbo; Zhang, Chao; Lian, Jing; Lu, Caicai; Chen, Zhi; Song, Yuanyuan; Guo, Yankai; Xing, Yajuan

2017-11-01

Perchlorate (ClO 4 - ) contamination is more and more concerned due to the hazards to humans. Based on the common primary bacterium (Helicobacteraceae) of both thiosulfate-acclimated sludge (T-Acc) and sulfur-acclimated sludge (S-Acc) for perchlorate reduction, the rapid start-up of sulfur-based perchlorate reduction reactor (SBPRR) was hypothesized by inoculating T-Acc. Furthermore, the performance of SBPRR, the SO 4 2- yield, kinetics of ClO 4 - reduction and the extracellular polymeric substances (EPS) of biofilm confirmed the hypothesis. The start-up time of R3 (reactor inoculating T-Acc) was 0.18 and 0.21 times that of R1 (control) and R2 (reactor with the influent containing thiosulfate), respectively. The SO 4 2- yield of R3 was lower than that of R2 and R1 with perchlorate removal rate 166.7mg/(Lh). The kinetic study and EPS demonstrated that inoculating T-Acc was beneficial for the development of biofilm. Consequently, the present study indicated that SBPRR can be rapidly and successfully started-up via inoculation of T-Acc. Copyright © 2017 Elsevier Ltd. All rights reserved.

Adaptive control method for core power control in TRIGA Mark II reactor

NASA Astrophysics Data System (ADS)

Sabri Minhat, Mohd; Selamat, Hazlina; Subha, Nurul Adilla Mohd

2018-01-01

The 1MWth Reactor TRIGA PUSPATI (RTP) Mark II type has undergone more than 35 years of operation. The existing core power control uses feedback control algorithm (FCA). It is challenging to keep the core power stable at the desired value within acceptable error bands to meet the safety demand of RTP due to the sensitivity of nuclear research reactor operation. Currently, the system is not satisfied with power tracking performance and can be improved. Therefore, a new design core power control is very important to improve the current performance in tracking and regulate reactor power by control the movement of control rods. In this paper, the adaptive controller and focus on Model Reference Adaptive Control (MRAC) and Self-Tuning Control (STC) were applied to the control of the core power. The model for core power control was based on mathematical models of the reactor core, adaptive controller model, and control rods selection programming. The mathematical models of the reactor core were based on point kinetics model, thermal hydraulic models, and reactivity models. The adaptive control model was presented using Lyapunov method to ensure stable close loop system and STC Generalised Minimum Variance (GMV) Controller was not necessary to know the exact plant transfer function in designing the core power control. The performance between proposed adaptive control and FCA will be compared via computer simulation and analysed the simulation results manifest the effectiveness and the good performance of the proposed control method for core power control.

Wave-particle energy exchange directly observed in a kinetic Alfvén-branch wave

PubMed Central

Gershman, Daniel J.; F-Viñas, Adolfo; Dorelli, John C.; Boardsen, Scott A.; Avanov, Levon A.; Bellan, Paul M.; Schwartz, Steven J.; Lavraud, Benoit; Coffey, Victoria N.; Chandler, Michael O.; Saito, Yoshifumi; Paterson, William R.; Fuselier, Stephen A.; Ergun, Robert E.; Strangeway, Robert J.; Russell, Christopher T.; Giles, Barbara L.; Pollock, Craig J.; Torbert, Roy B.; Burch, James L.

2017-01-01

Alfvén waves are fundamental plasma wave modes that permeate the universe. At small kinetic scales, they provide a critical mechanism for the transfer of energy between electromagnetic fields and charged particles. These waves are important not only in planetary magnetospheres, heliospheres and astrophysical systems but also in laboratory plasma experiments and fusion reactors. Through measurement of charged particles and electromagnetic fields with NASA's Magnetospheric Multiscale (MMS) mission, we utilize Earth's magnetosphere as a plasma physics laboratory. Here we confirm the conservative energy exchange between the electromagnetic field fluctuations and the charged particles that comprise an undamped kinetic Alfvén wave. Electrons confined between adjacent wave peaks may have contributed to saturation of damping effects via nonlinear particle trapping. The investigation of these detailed wave dynamics has been unexplored territory in experimental plasma physics and is only recently enabled by high-resolution MMS observations. PMID:28361881

Wave-particle energy exchange directly observed in a kinetic Alfvén-branch wave.

PubMed

Gershman, Daniel J; F-Viñas, Adolfo; Dorelli, John C; Boardsen, Scott A; Avanov, Levon A; Bellan, Paul M; Schwartz, Steven J; Lavraud, Benoit; Coffey, Victoria N; Chandler, Michael O; Saito, Yoshifumi; Paterson, William R; Fuselier, Stephen A; Ergun, Robert E; Strangeway, Robert J; Russell, Christopher T; Giles, Barbara L; Pollock, Craig J; Torbert, Roy B; Burch, James L

2017-03-31

Alfvén waves are fundamental plasma wave modes that permeate the universe. At small kinetic scales, they provide a critical mechanism for the transfer of energy between electromagnetic fields and charged particles. These waves are important not only in planetary magnetospheres, heliospheres and astrophysical systems but also in laboratory plasma experiments and fusion reactors. Through measurement of charged particles and electromagnetic fields with NASA's Magnetospheric Multiscale (MMS) mission, we utilize Earth's magnetosphere as a plasma physics laboratory. Here we confirm the conservative energy exchange between the electromagnetic field fluctuations and the charged particles that comprise an undamped kinetic Alfvén wave. Electrons confined between adjacent wave peaks may have contributed to saturation of damping effects via nonlinear particle trapping. The investigation of these detailed wave dynamics has been unexplored territory in experimental plasma physics and is only recently enabled by high-resolution MMS observations.

Experimental Study and Mathematical Modeling of Self-Sustained Kinetic Oscillations in Catalytic Oxidation of Methane over Nickel.

PubMed

Lashina, Elena A; Kaichev, Vasily V; Saraev, Andrey A; Vinokurov, Zakhar S; Chumakova, Nataliya A; Chumakov, Gennadii A; Bukhtiyarov, Valerii I

2017-09-21

The self-sustained kinetic oscillations in the oxidation of CH 4 over Ni foil have been studied at atmospheric pressure using an X-ray diffraction technique and mass spectrometry. It has been shown that the regular oscillations appear under oxygen-deficient conditions; CO, CO 2 , H 2 , and H 2 O are detected as the products. According to in situ X-ray diffraction measurements, nickel periodically oxidizes to NiO initiating the reaction-rate oscillations. To describe the oscillations, we have proposed a five-stage mechanism of the partial oxidation of methane over Ni and a corresponding three-variable kinetic model. The mechanism considers catalytic methane decomposition, dissociative adsorption of oxygen, transformation of chemisorbed oxygen to surface nickel oxide, and reaction of adsorbed carbon and oxygen species to form CO. Analysis of the kinetic model indicates that the competition of two processes, i.e., the oxidation and the carbonization of the catalyst surface, is the driving force of the self-sustained oscillations in the oxidation of methane. We have compared this mechanism with the detailed 18-stage mechanism described previously by Lashina et al. (Kinetics and Catalysis 2012, 53, 374-383). It has been shown that both kinetic mechanisms coupled with a continuous stirred-tank reactor model describe well the oscillatory behavior in the oxidation of methane under non-isothermal conditions.

Application of ATHLET/DYN3D coupled codes system for fast liquid metal cooled reactor steady state simulation

NASA Astrophysics Data System (ADS)

Ivanov, V.; Samokhin, A.; Danicheva, I.; Khrennikov, N.; Bouscuet, J.; Velkov, K.; Pasichnyk, I.

2017-01-01

In this paper the approaches used for developing of the BN-800 reactor test model and for validation of coupled neutron-physic and thermohydraulic calculations are described. Coupled codes ATHLET 3.0 (code for thermohydraulic calculations of reactor transients) and DYN3D (3-dimensional code of neutron kinetics) are used for calculations. The main calculation results of reactor steady state condition are provided. 3-D model used for neutron calculations was developed for start reactor BN-800 load. The homogeneous approach is used for description of reactor assemblies. Along with main simplifications, the main reactor BN-800 core zones are described (LEZ, MEZ, HEZ, MOX, blankets). The 3D neutron physics calculations were provided with 28-group library, which is based on estimated nuclear data ENDF/B-7.0. Neutron SCALE code was used for preparation of group constants. Nodalization hydraulic model has boundary conditions by coolant mass-flow rate for core inlet part, by pressure and enthalpy for core outlet part, which can be chosen depending on reactor state. Core inlet and outlet temperatures were chosen according to reactor nominal state. The coolant mass flow rate profiling through the core is based on reactor power distribution. The test thermohydraulic calculations made with using of developed model showed acceptable results in coolant mass flow rate distribution through the reactor core and in axial temperature and pressure distribution. The developed model will be upgraded in future for different transient analysis in metal-cooled fast reactors of BN type including reactivity transients (control rods withdrawal, stop of the main circulation pump, etc.).

Kinetics of gas phase formic acid decomposition on platinum single crystal and polycrystalline surfaces

NASA Astrophysics Data System (ADS)

Detwiler, Michael D.; Milligan, Cory A.; Zemlyanov, Dmitry Y.; Delgass, W. Nicholas; Ribeiro, Fabio H.

2016-06-01

Formic acid dehydrogenation turnover rates (TORs) were measured on Pt(111), Pt(100), and polycrystalline Pt foil surfaces at a total pressure of 800 Torr between 413 and 513 K in a batch reactor connected to an ultra-high vacuum (UHV) system. The TORs, apparent activation energies, and reaction orders are not sensitive to the structure of the Pt surface, within the precision of the measurements. CO introduced into the batch reactor depressed the formic acid dehydrogenation TOR and increased the reaction's apparent activation energies on Pt(111) and Pt(100), consistent with behavior predicted by the Temkin equation. Two reaction mechanisms were explored which explain the formic acid decomposition mechanism on Pt, both of which include dissociative adsorption of formic acid, rate limiting formate decomposition, and quasi-equilibrated hydrogen recombination and CO adsorption. No evidence was found that catalytic supports used in previous studies altered the reaction kinetics or mechanism.

Plasma flow reactor for steady state monitoring of physical and chemical processes at high temperatures.

PubMed

Koroglu, Batikan; Mehl, Marco; Armstrong, Michael R; Crowhurst, Jonathan C; Weisz, David G; Zaug, Joseph M; Dai, Zurong; Radousky, Harry B; Chernov, Alex; Ramon, Erick; Stavrou, Elissaios; Knight, Kim; Fabris, Andrea L; Cappelli, Mark A; Rose, Timothy P

2017-09-01

We present the development of a steady state plasma flow reactor to investigate gas phase physical and chemical processes that occur at high temperature (1000 < T < 5000 K) and atmospheric pressure. The reactor consists of a glass tube that is attached to an inductively coupled argon plasma generator via an adaptor (ring flow injector). We have modeled the system using computational fluid dynamics simulations that are bounded by measured temperatures. In situ line-of-sight optical emission and absorption spectroscopy have been used to determine the structures and concentrations of molecules formed during rapid cooling of reactants after they pass through the plasma. Emission spectroscopy also enables us to determine the temperatures at which these dynamic processes occur. A sample collection probe inserted from the open end of the reactor is used to collect condensed materials and analyze them ex situ using electron microscopy. The preliminary results of two separate investigations involving the condensation of metal oxides and chemical kinetics of high-temperature gas reactions are discussed.

Kinetic study of anaerobic digestion of fruit-processing wastewater in immobilized-cell bioreactors.

PubMed

Borja, R; Banks, C J

1994-08-01

The kinetics of the anaerobic digestion of a fruit-processing wastewater [chemical oxygen demand (COD) = 5.1 g/l] were investigated. Laboratory experiments were carried out in bioreactors containing supports of different chemical composition and features, namely bentonite and zeolite (aluminum silicates), sepiolite and saponite (magnesium silicates) and polyurethane foam, to which the microorganisms responsible for the process adhered. The influence of the support medium on the kinetics was compared with a control digester with suspended biomass. Assuming the overall anaerobic digestion process conforms to first-order kinetics, the specific rate constant, K0, was determined for each of the experimental reactors. The average values obtained were: 0.080 h-1 (bentonite); 0.103 h-1 (zeolite); 0.180 h-1 (sepiolite); 0.198 h-1 (saponite); 0.131 h-1 (polyurethane); and 0.037 h-1 (control). The results indicate that the support used to immobilize the micro-organisms had a marked influence on the digestion process; the results were significant at the 95% confidence level. Methanogenic activity increased linearly with COD, with the saponite and sepiolite supports showing the highest values. The yield coefficient of methane was 270 ml of methane (under standard temperature and pressure conditions)/g of COD. The average elimination of COD was 89.5%.

Fundamental electrode kinetics

NASA Technical Reports Server (NTRS)

Elder, J. P.

1968-01-01

Report presents the fundamentals of electrode kinetics and the methods used in evaluating the characteristic parameters of rapid-charge transfer processes at electrode-electrolyte interfaces. The concept of electrode kinetics is outlined, followed by the principles underlying the experimental techniques for the investigation of electrode kinetics.

Positron Annihilation Spectroscopy Characterization of Nanostructural Features in Reactor Steels

NASA Astrophysics Data System (ADS)

Glade, Stephen; Wirth, Brian; Asoka-Kumar, Palakkal; Sterne, Philip; Alinger, Matthew; Odette, George

2004-03-01

Irradiation embrittlement in nuclear reactor pressure vessel steels results from the formation of a high number density of nanometer sized copper rich precipitates and sub-nanometer defect-solute clusters. We present results of study to characterize the size and compositions of simple binary and ternary Fe-Cu-Mn model alloys and more representative Fe-Cu-Mn-Ni-Si-Mo-C reactor pressure vessel steels using positron annihilation spectroscopy (PAS). Using a recently developed spin-polarized PAS technique, we have also measured the magnetic properties of the nanometer-sized copper rich precipitates. Mn retards the precipitation kinetics and inhibits large vacancy cluster formation, suggesting a strong Mn-vacancy interaction which reduces radiation enhanced diffusion. The spin-polarized PAS measurements reveal the non-magnetic nature of the copper precipitates, discounting the notion that the precipitates contain significant quantities of Fe and providing an upper limit of at most a few percent Fe in the precipitates. PAS results on oxide dispersion-strengthened steel for use in fusion reactors will also be presented. Part of this work was performed under the auspices of the US Department of Energy by the University of California, Lawrence Livermore National Laboratory, under contract No. W-7405-ENG-48 with partial support provided from Basic Energy Sciences, Division of Materials Science.

GLSENS: A Generalized Extension of LSENS Including Global Reactions and Added Sensitivity Analysis for the Perfectly Stirred Reactor

NASA Technical Reports Server (NTRS)

Bittker, David A.

1996-01-01

A generalized version of the NASA Lewis general kinetics code, LSENS, is described. The new code allows the use of global reactions as well as molecular processes in a chemical mechanism. The code also incorporates the capability of performing sensitivity analysis calculations for a perfectly stirred reactor rapidly and conveniently at the same time that the main kinetics calculations are being done. The GLSENS code has been extensively tested and has been found to be accurate and efficient. Nine example problems are presented and complete user instructions are given for the new capabilities. This report is to be used in conjunction with the documentation for the original LSENS code.

Incorporating Geochemical And Microbial Kinetics In Reactive Transport Models For Generation Of Acid Rock Drainage

NASA Astrophysics Data System (ADS)

Andre, B. J.; Rajaram, H.; Silverstein, J.

2010-12-01

Acid mine drainage, AMD, results from the oxidation of metal sulfide minerals (e.g. pyrite), producing ferrous iron and sulfuric acid. Acidophilic autotrophic bacteria such as Acidithiobacillus ferrooxidans and Leptospirillum ferrooxidans obtain energy by oxidizing ferrous iron back to ferric iron, using oxygen as the electron acceptor. Most existing models of AMD do not account for microbial kinetics or iron geochemistry rigorously. Instead they assume that oxygen limitation controls pyrite oxidation and thus focus on oxygen transport. These models have been successfully used for simulating conditions where oxygen availability is a limiting factor (e.g. source prevention by capping), but have not been shown to effectively model acid generation and effluent chemistry under a wider range of conditions. The key reactions, oxidation of pyrite and oxidation of ferrous iron, are both slow kinetic processes. Despite being extensively studied for the last thirty years, there is still not a consensus in the literature about the basic mechanisms, limiting factors or rate expressions for microbially enhanced oxidation of metal sulfides. An indirect leaching mechanism (chemical oxidation of pyrite by ferric iron to produce ferrous iron, with regeneration of ferric iron by microbial oxidation of ferrous iron) is used as the foundation of a conceptual model for microbially enhanced oxidation of pyrite. Using literature data, a rate expression for microbial consumption of ferrous iron is developed that accounts for oxygen, ferrous iron and pH limitation. Reaction rate expressions for oxidation of pyrite and chemical oxidation of ferrous iron are selected from the literature. A completely mixed stirred tank reactor (CSTR) model is implemented coupling the kinetic rate expressions, speciation calculations and flow. The model simulates generation of AMD and effluent chemistry that qualitatively agrees with column reactor and single rock experiments. A one dimensional reaction

Kinetic Atom.

ERIC Educational Resources Information Center

Wilson, David B.

1981-01-01

Surveys the research of scientists like Joule, Kelvin, Maxwell, Clausius, and Boltzmann as it comments on the basic conceptual issues involved in the development of a more precise kinetic theory and the idea of a kinetic atom. (Author/SK)

Kinetic studies on hydrolysis of urea in a semi-batch reactor at atmospheric pressure for safe use of ammonia in a power plant for flue gas conditioning.

PubMed

Mahalik, K; Sahu, J N; Patwardhan, Anand V; Meikap, B C

2010-03-15

With growing industrialization in power sector, air is being polluted with a host of substances-most conspicuously with suspended particulate matter emanating from coal-fired thermal power plants. Flue gas conditioning, especially in such power plants, requires in situ generation of ammonia. In the present paper, experiments for kinetic study of hydrolysis of urea have been conducted using a borosil glass reactor, first without stirring followed by with stirring. The study reveals that conversion increases exponentially with an increase in temperature and feed concentration. Furthermore, the effect of stirring speed, temperature and concentration on conversion has been studied. Using collision theory, temperature dependency of forward rate constant has been developed from which activation energy of the reaction and the frequency factors have been calculated. It has been observed that the forward rate constant increases with an increase in temperature. The activation energy and frequency factor with stirring has been found to be 59.85 kJ/mol and 3.9 x 10(6)min(-1) respectively with correlation co-efficient and standard deviation being 0.98% and +/-0.1% in that order. (c) 2009 Elsevier B.V. All rights reserved.

Feasibility of creating a specialized reactimeter based on the inverse solution to kinetics equation with a current-mode neutron detector

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koshelev, A. S., E-mail: alexsander.coshelev@yandex.ru; Arapov, A. V.; Ovchinnikov, M. A.

2016-12-15

The file-evaluation results of a reactimeter based on the inverse solution to the kinetics equation (ISKE) are presented, which were obtained using an operating hardware-measuring complex with a KNK-4 neutron detector working in the current mode. The processing of power-recording files of the BR-1M, BR-K1, and VIR-2M reactors of the Russian Federal Nuclear Center—All-Russian Research Institute of Experimental Physics, which was performed with the use of Excel simulation of the ISKE formalism, demonstrated the feasibility of implementation of the reactivity monitoring (during the operation of these reactors at stationary power) beginning from the level of ~5 × 10{sup –4}β{sub eff}.

A Theoretical Investigation of Oxidation Efficiency of a Volatile Removal Assembly Reactor Under Microgravity Conditions

NASA Technical Reports Server (NTRS)

Guo, Boyun

2005-01-01

Volatile Removal Assembly (VRA) is a subsystem of the Closed Environment Life Support System (CELSS) installed in the International Space Station. It is used for removing contaminants (volatile organics) in the wastewater produced by the space station crews. The major contaminants are formic acid, ethanol, and propylene glycol. The VRA contains a slim packbed reactor (3.5 cm diameter and four 28 cm long tubes in series) to perform catalyst oxidation of wastewater at elevated pressure and temperature under microgravity conditions. In the reactor, the contaminants are burned with oxygen gas (O2) to form water and carbon dioxide (CO2) that dissolves in the water stream. Optimal design of the reactor requires a thorough understanding about how the reactor performs under microgravity conditions. The objective of this study was to develop a mathematical model to interpret experimental data obtained from normal and microgravity conditions, and to predict the performance of VRA reactor under microgravity conditions. Catalyst oxidation kinetics and the total oxygen-water contact area control the efficiency of catalyst oxidation for mass transfer, which depends on oxygen gas holdup and distribution in the reactor. The process involves bubbly flow in porous media with chemical reactions in microgravity environment. This presents a unique problem in fluid dynamics that has not been studied. Guo et al. (2004) developed a mathematical model that predicts oxygen holdup in the VRA reactor. No mathematical model has been found in the literature that can be used to predict the efficiency of catalyst oxidation under microgravity conditions.

LSENS, a general chemical kinetics and sensitivity analysis code for gas-phase reactions: User's guide

NASA Technical Reports Server (NTRS)

Radhakrishnan, Krishnan; Bittker, David A.

1993-01-01

A general chemical kinetics and sensitivity analysis code for complex, homogeneous, gas-phase reactions is described. The main features of the code, LSENS, are its flexibility, efficiency and convenience in treating many different chemical reaction models. The models include static system, steady, one-dimensional, inviscid flow, shock initiated reaction, and a perfectly stirred reactor. In addition, equilibrium computations can be performed for several assigned states. An implicit numerical integration method, which works efficiently for the extremes of very fast and very slow reaction, is used for solving the 'stiff' differential equation systems that arise in chemical kinetics. For static reactions, sensitivity coefficients of all dependent variables and their temporal derivatives with respect to the initial values of dependent variables and/or the rate coefficient parameters can be computed. This paper presents descriptions of the code and its usage, and includes several illustrative example problems.

Alternative approaches to fusion. [reactor design and reactor physics for Tokamak fusion reactors

NASA Technical Reports Server (NTRS)

Roth, R. J.

1976-01-01

The limitations of the Tokamak fusion reactor concept are discussed and various other fusion reactor concepts are considered that employ the containment of thermonuclear plasmas by magnetic fields (i.e., stellarators). Progress made in the containment of plasmas in toroidal devices is reported. Reactor design concepts are illustrated. The possibility of using fusion reactors as a power source in interplanetary space travel and electric power plants is briefly examined.

Wave-particle energy exchange directly observed in a kinetic Alfvén-branch wave

DOE PAGES

Gershman, Daniel J.; F-Viñas, Adolfo; Dorelli, John C.; ...

2017-03-31

Alfvén waves are fundamental plasma wave modes that permeate the universe. At small kinetic scales, they provide a critical mechanism for the transfer of energy between electromagnetic fields and charged particles. These waves are important not only in planetary magnetospheres, heliospheres and astrophysical systems but also in laboratory plasma experiments and fusion reactors. Through measurement of charged particles and electromagnetic fields with NASA’s Magnetospheric Multiscale (MMS) mission, we utilize Earth’s magnetosphere as a plasma physics laboratory. Here we confirm the conservative energy exchange between the electromagnetic field fluctuations and the charged particles that comprise an undamped kinetic Alfvén wave. Electronsmore » confined between adjacent wave peaks may have contributed to saturation of damping effects via nonlinear particle trapping. As a result, the investigation of these detailed wave dynamics has been unexplored territory in experimental plasma physics and is only recently enabled by high-resolution MMS observations.« less

Wave-particle energy exchange directly observed in a kinetic Alfvén-branch wave

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gershman, Daniel J.; F-Viñas, Adolfo; Dorelli, John C.

Alfvén waves are fundamental plasma wave modes that permeate the universe. At small kinetic scales, they provide a critical mechanism for the transfer of energy between electromagnetic fields and charged particles. These waves are important not only in planetary magnetospheres, heliospheres and astrophysical systems but also in laboratory plasma experiments and fusion reactors. Through measurement of charged particles and electromagnetic fields with NASA’s Magnetospheric Multiscale (MMS) mission, we utilize Earth’s magnetosphere as a plasma physics laboratory. Here we confirm the conservative energy exchange between the electromagnetic field fluctuations and the charged particles that comprise an undamped kinetic Alfvén wave. Electronsmore » confined between adjacent wave peaks may have contributed to saturation of damping effects via nonlinear particle trapping. As a result, the investigation of these detailed wave dynamics has been unexplored territory in experimental plasma physics and is only recently enabled by high-resolution MMS observations.« less

Thermodynamic and kinetic modelling of fuel oxidation behaviour in operating defective fuel

NASA Astrophysics Data System (ADS)

Lewis, operating defective fuel B. J.; Thompson, W. T.; Akbari, F.; Thompson, D. M.; Thurgood, C.; Higgs, J.

2004-07-01

A theoretical treatment has been developed to predict the fuel oxidation behaviour in operating defective nuclear fuel elements. The equilibrium stoichiometry deviation in the hyper-stoichiometric fuel has been derived from thermodynamic considerations using a self-consistent set of thermodynamic properties for the U-O system, which emphasizes replication of solubilities and three-phase invariant conditions displayed in the U-O binary phase diagram. The kinetics model accounts for multi-phase transport including interstitial oxygen diffusion in the solid and gas-phase transport of hydrogen and steam in the fuel cracks. The fuel oxidation model is further coupled to a heat conduction model to account for the feedback effect of a reduced thermal conductivity in the hyper-stoichiometric fuel. A numerical solution has been developed using a finite-element technique with the FEMLAB software package. The model has been compared to available data from several in-reactor X-2 loop experiments with defective fuel conducted at the Chalk River Laboratories. The model has also been benchmarked against an O/U profile measurement for a spent defective fuel element discharged from a commercial reactor.

Materials and fabrication technology of modules intended for irradiation tests of blanket tritium-breeding zones in Russian fusion reactor projects

NASA Astrophysics Data System (ADS)

Kapychev, V.; Davydov, D.; Gorokhov, V.; Ioltukhovskiy, A.; Kazennov, Yu; Tebus, V.; Frolov, V.; Shikov, A.; Shishkov, N.; Kovalenko, V.; Shishkin, N.; Strebkov, Yu

2000-12-01

This paper surveys the modules and materials of blanket tritium-breeding zones developed in the Russian Federation for fusion reactors. Synthesis of lithium orthosilicate, metasilicate and aluminate, fabrication of ceramic pellets and pebbles and experimental reactor units are described. Results of tritium extraction kinetics under irradiation in a water-graphite reactor at a thermal neutron flux of 5×10 13 neutron/(s cm2) are considered. At the present time, development and fabrication of lithium orthosilicate-beryllium modules of the tritium-breeding zone (TBZ), have been carried out within the framework of the ITER and DEMO projects. Two modules containing orthosilicate pellets, porous beryllium and beryllium pebbles are suggested for irradiation tests in the temperature range of 350-700°C. Technical problems associated with manufacturing of the modules are discussed.

NuLat: A Novel Design for a Reactor Anti-Neutrino Detector

NASA Astrophysics Data System (ADS)

Rountree, S. Derek; NuLat Collaboration

2015-04-01

NuLat is a proposed very-short baseline (3-10m) reactor electron antineutrino (anti-νe) experiment that will probe the current best fit for light sterile neutrino mixing, the 5 MeV excess seen in current short baseline reactor experiments, and serve as a portable surface detector for cooperative (~ 30m baseline) surface monitoring of reactors. The NuLat detector will use an optically segmented 3D Raghavan optical lattice (ROL) detector that channels light via total internal reflection from a scintillation event down the 3 primary axes to the detector faces. The high degree of segmentation allows for each voxel's energy to be determined independently of other voxels, thus providing high temporal and spatial resolution and energy reconstruction independent of position. NuLat detects anti-νe via inverse beta decay (IBD), which produces a positron and a neutron. Most of the time, the positron deposits its kinetic energy into a single voxel allowing superior derivation of the incident anti-νe's energy. The final state neutron is captured via (n, α) on 6 Li or 10 B after a characteristic delay time giving a coincidence tag. This talk will discuss the physics reach of NuLat using a solid loaded scintillator, and the timeline of the NuLat reactor anti-νe program. This research has been funded in part by the National Science Foundation on Award Numbers 1001394 and 1001078.

A coupled nuclear reactor thermal energy storage system for enhanced load following operation

NASA Astrophysics Data System (ADS)

Alameri, Saeed A.

Nuclear power plants usually provide base-load electric power and operate most economically at a constant power level. In an energy grid with a high fraction of renewable energy sources, future nuclear reactors may be subject to significantly variable power demands. These variable power demands can negatively impact the effective capacity factor of the reactor and result in severe economic penalties. Coupling the reactor to a large Thermal Energy Storage (TES) block will allow the reactor to better respond to variable power demands. In the system described in this thesis, a Prismatic-core Advanced High Temperature Reactor (PAHTR) operates at constant power with heat provided to a TES block that supplies power as needed to a secondary energy conversion system. The PAHTR is designed to have a power rating of 300 MW th, with 19.75 wt% enriched Tri-Structural-Isotropic UO 2 fuel and a five year operating cycle. The passive molten salt TES system will operate in the latent heat region with an energy storage capacity of 150 MWd. Multiple smaller TES blocks are used instead of one large block to enhance the efficiency and maintenance complexity of the system. A transient model of the coupled reactor/TES system is developed to study the behavior of the system in response to varying load demands. The model uses six-delayed group point kinetics and decay heat models coupled to thermal-hydraulic and heat transfer models of the reactor and TES system. Based on the transient results, the preferred TES design consists of 1000 blocks, each containing 11000 LiCl phase change material tubes. A safety assessment of major reactor events demonstrates the inherent safety of the coupled system. The loss of forced circulation study determined the minimum required air convection heat removal rate from the reactor core and the lowest possible reduced primary flow rate that can maintain the reactor in a safe condition. The loss of ultimate heat sink study demonstrated the ability of the TES

New core-reflector boundary conditions for transient nodal reactor calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, E.K.; Kim, C.H.; Joo, H.K.

1995-09-01

New core-reflector boundary conditions designed for the exclusion of the reflector region in transient nodal reactor calculations are formulated. Spatially flat frequency approximations for the temporal neutron behavior and two types of transverse leakage approximations in the reflector region are introduced to solve the transverse-integrated time-dependent one-dimensional diffusion equation and then to obtain relationships between net current and flux at the core-reflector interfaces. To examine the effectiveness of new core-reflector boundary conditions in transient nodal reactor computations, nodal expansion method (NEM) computations with and without explicit representation of the reflector are performed for Laboratorium fuer Reaktorregelung und Anlagen (LRA) boilingmore » water reactor (BWR) and Nuclear Energy Agency Committee on Reactor Physics (NEACRP) pressurized water reactor (PWR) rod ejection kinetics benchmark problems. Good agreement between two NEM computations is demonstrated in all the important transient parameters of two benchmark problems. A significant amount of CPU time saving is also demonstrated with the boundary condition model with transverse leakage (BCMTL) approximations in the reflector region. In the three-dimensional LRA BWR, the BCMTL and the explicit reflector model computations differ by {approximately}4% in transient peak power density while the BCMTL results in >40% of CPU time saving by excluding both the axial and the radial reflector regions from explicit computational nodes. In the NEACRP PWR problem, which includes six different transient cases, the largest difference is 24.4% in the transient maximum power in the one-node-per-assembly B1 transient results. This difference in the transient maximum power of the B1 case is shown to reduce to 11.7% in the four-node-per-assembly computations. As for the computing time, BCMTL is shown to reduce the CPU time >20% in all six transient cases of the NEACRP PWR.« less

Neutron and hard X-ray diffraction studies of the isothermal transformation kinetics in the research reactor fuel candidate U–8 wt%Mo

PubMed Central

Säubert, Steffen; Jungwirth, Rainer; Zweifel, Tobias; Hofmann, Michael; Hoelzel, Markus; Petry, Winfried

2016-01-01

Exposing uranium–molybdenum alloys (UMo) retained in the γ phase to elevated temperatures leads to transformation reactions during which the γ-UMo phase decomposes into the thermal equilibrium phases, i.e. U2Mo and α-U. Since α-U is not suitable for a nuclear fuel exposed to high burn-up, it is necessary to retain the γ-UMo phase during the production process of the fuel elements for modern high-performance research reactors. The present work deals with the isothermal transformation kinetics in U–8 wt%Mo alloys for temperatures between 673 and 798 K and annealing durations of up to 48 h. Annealed samples were examined at room temperature using either X-ray or neutron diffraction to determine the phase composition after thermal treatment, and in situ annealing studies disclosed the onset of phase decomposition. While for temperatures of 698 and 673 K the start of decomposition is delayed, for higher temperatures the first signs of transformation are already observable within 3 h of annealing. The typical C-shaped curves in a time–temperature–transformation (TTT) diagram for both the start and the end of phase decomposition could be determined in the observed temperature regime. Therefore, a revised TTT diagram for U–8 wt%Mo between 673 and 798 K and annealing durations of up to 48 h is proposed. PMID:27275139

A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Atef, Nour; Kukkadapu, Goutham; Mohamed, Samah Y.

Iso-Octane (2,2,4-trimethylpentane) is a primary reference fuel and an important component of gasoline fuels. Furthermore, it is a key component used in surrogates to study the ignition and burning characteristics of gasoline fuels. This paper presents an updated chemical kinetic model for iso-octane combustion. Specifically, the thermodynamic data and reaction kinetics of iso-octane have been re-assessed based on new thermodynamic group values and recently evaluated rate coefficients from the literature. The adopted rate coefficients were either experimentally measured or determined by analogy to theoretically calculated values. New alternative isomerization pathways for peroxy-alkyl hydroperoxide (more » $$\\dot{O}$$OQOOH) radicals were added to the reaction mechanism. The updated kinetic model was compared against new ignition delay data measured in rapid compression machines (RCM) and a high-pressure shock tube. Our experiments were conducted at pressures of 20 and 40 atm, at equivalence ratios of 0.4 and 1.0, and at temperatures in the range of 632–1060 K. The updated model was further compared against shock tube ignition delay times, jet-stirred reactor oxidation speciation data, premixed laminar flame speeds, counterflow diffusion flame ignition, and shock tube pyrolysis speciation data available in the literature. Finally, the updated model was used to investigate the importance of alternative isomerization pathways in the low temperature oxidation of highly branched alkanes. When compared to available models in the literature, the present model represents the current state-of-the-art in fundamental thermochemistry and reaction kinetics of iso-octane; and thus provides the best prediction of wide ranging experimental data and fundamental insights into iso-octane combustion chemistry.« less

A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics

DOE PAGES

Atef, Nour; Kukkadapu, Goutham; Mohamed, Samah Y.; ...

2017-02-05

Iso-Octane (2,2,4-trimethylpentane) is a primary reference fuel and an important component of gasoline fuels. Furthermore, it is a key component used in surrogates to study the ignition and burning characteristics of gasoline fuels. This paper presents an updated chemical kinetic model for iso-octane combustion. Specifically, the thermodynamic data and reaction kinetics of iso-octane have been re-assessed based on new thermodynamic group values and recently evaluated rate coefficients from the literature. The adopted rate coefficients were either experimentally measured or determined by analogy to theoretically calculated values. New alternative isomerization pathways for peroxy-alkyl hydroperoxide (more » $$\\dot{O}$$OQOOH) radicals were added to the reaction mechanism. The updated kinetic model was compared against new ignition delay data measured in rapid compression machines (RCM) and a high-pressure shock tube. Our experiments were conducted at pressures of 20 and 40 atm, at equivalence ratios of 0.4 and 1.0, and at temperatures in the range of 632–1060 K. The updated model was further compared against shock tube ignition delay times, jet-stirred reactor oxidation speciation data, premixed laminar flame speeds, counterflow diffusion flame ignition, and shock tube pyrolysis speciation data available in the literature. Finally, the updated model was used to investigate the importance of alternative isomerization pathways in the low temperature oxidation of highly branched alkanes. When compared to available models in the literature, the present model represents the current state-of-the-art in fundamental thermochemistry and reaction kinetics of iso-octane; and thus provides the best prediction of wide ranging experimental data and fundamental insights into iso-octane combustion chemistry.« less

KINETIC STUDY OF ADSORPTION AND TRANSFORMATION OF MERCURY ON FLY ASH PARTICLES IN AN ENTRAINED FLOW REACTOR

EPA Science Inventory

Experimental studies were performed to investigate the interactions of elemental mercury vapor with entrained fly ash particles from coal combustion in a flow reactor. The rate of transformation of elemental mercury on fly ash particles was evauated over the temperature range fro...

Determination of kinetic parameters of 1,3-propanediol fermentation by Clostridium diolis using statistically optimized medium.

PubMed

Kaur, Guneet; Srivastava, Ashok K; Chand, Subhash

2012-09-01

1,3-propanediol (1,3-PD) is a chemical compound of immense importance primarily used as a raw material for fiber and textile industry. It can be produced by the fermentation of glycerol available abundantly as a by-product from the biodiesel plant. The present study was aimed at determination of key kinetic parameters of 1,3-PD fermentation by Clostridium diolis. Initial experiments on microbial growth inhibition were followed by optimization of nutrient medium recipe by statistical means. Batch kinetic data from studies in bioreactor using optimum concentration of variables obtained from statistical medium design was used for estimation of kinetic parameters of 1,3-PD production. Direct use of raw glycerol from biodiesel plant without any pre-treatment for 1,3-PD production using this strain investigated for the first time in this work gave results comparable to commercial glycerol. The parameter values obtained in this study would be used to develop a mathematical model for 1,3-PD to be used as a guide for designing various reactor operating strategies for further improving 1,3-PD production. An outline of protocol for model development has been discussed in the present work.

A new halogen-free chemical oscillator: the reaction between permanganate ion and ninhydrin in a continuously stirred tank reactor

NASA Astrophysics Data System (ADS)

Treindl, Ľudovít; Nagy, Arpád

1987-07-01

The reaction between permanganate ion and ninhydrin in the presence of phosphoric acid in aqueous solution shows sustained oscillations in a continuously stirred tank reactor (CSTR). It exhibits a kinetic bistability between an oscillatory and a stationary state. Our new oscillating system seems to be a second permanganate chemical oscillator, thus broadening the small group of non-halogen-based chemical oscillators.

Novel recirculating loop reactor for studies on model catalysts: CO oxidation on Pt/TiO2(110)

NASA Astrophysics Data System (ADS)

Tenney, Samuel A.; Xie, Kangmin; Monnier, John R.; Rodriguez, Abraham; Galhenage, Randima P.; Duke, Audrey S.; Chen, Donna A.

2013-10-01

A novel recirculating loop microreactor coupled to an ultrahigh vacuum (UHV) chamber has been constructed for the kinetic evaluation of model catalysts, which can be fully characterized by UHV surface science techniques. The challenge for this reactor design is to attain sufficient sensitivity to detect reactions on model single-crystal surfaces, which have a low number of active sites compared to conventional catalysts of equivalent mass. To this end, the total dead volume of the reactor system is minimized (32 cm3), and the system is operated in recirculation mode so that product concentrations build up to detectable levels over time. The injection of gas samples into the gas chromatography column and the refilling of the recirculation loop with fresh feed gas are achieved with computer-controlled, automated switching valves. In this manner, product concentrations can be followed over short time intervals (15 min) for extended periods of time (24 h). A proof of principle study in this reactor for CO oxidation at 145-165 °C on Pt clusters supported on a rutile TiO2(110) single crystal yields kinetic parameters that are comparable to those reported in the literature for CO oxidation on Pt clusters on powdered oxide supports, as well as on Pt(100). The calculated activation energy is 16.4 ± 0.7 kcal/mol, the turnover frequency is 0.03-0.06 molecules/(site.s) over the entire temperature range, and the reaction orders in O2 and CO at 160 °C are 0.9 ± 0.2 and -0.82 ± 0.03, respectively.

On kinetic modelling for solar redox thermochemical H2O and CO2 splitting over NiFe2O4 for H2, CO and syngas production.

PubMed

Dimitrakis, Dimitrios A; Syrigou, Maria; Lorentzou, Souzana; Kostoglou, Margaritis; Konstandopoulos, Athanasios G

2017-10-11

This study aims at developing a kinetic model that can adequately describe solar thermochemical water and carbon dioxide splitting with nickel ferrite powder as the active redox material. The kinetic parameters of water splitting of a previous study are revised to include transition times and new kinetic parameters for carbon dioxide splitting are developed. The computational results show a satisfactory agreement with experimental data and continuous multicycle operation under varying operating conditions is simulated. Different test cases are explored in order to improve the product yield. At first a parametric analysis is conducted, investigating the appropriate duration of the oxidation and the thermal reduction step that maximizes the hydrogen yield. Subsequently, a non-isothermal oxidation step is simulated and proven as an interesting option for increasing the hydrogen production. The kinetic model is adapted to simulate the production yields in structured solar reactor components, i.e. extruded monolithic structures, as well.

Chemical Kinetics Database

National Institute of Standards and Technology Data Gateway

SRD 17 NIST Chemical Kinetics Database (Web, free access)   The NIST Chemical Kinetics Database includes essentially all reported kinetics results for thermal gas-phase chemical reactions. The database is designed to be searched for kinetics data based on the specific reactants involved, for reactions resulting in specified products, for all the reactions of a particular species, or for various combinations of these. In addition, the bibliography can be searched by author name or combination of names. The database contains in excess of 38,000 separate reaction records for over 11,700 distinct reactant pairs. These data have been abstracted from over 12,000 papers with literature coverage through early 2000.

Development of a three-dimensional core dynamics analysis program for commercial boiling water reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bessho, Yasunori; Yokomizo, Osamu; Yoshimoto, Yuichiro

1997-03-01

Development and qualification results are described for a three-dimensional, time-domain core dynamics analysis program for commercial boiling water reactors (BWRs). The program allows analysis of the reactor core with a detailed mesh division, which eliminates calculational ambiguity in the nuclear-thermal-hydraulic stability analysis caused by reactor core regional division. During development, emphasis was placed on high calculational speed and large memory size as attained by the latest supercomputer technology. The program consists of six major modules, namely a core neutronics module, a fuel heat conduction/transfer module, a fuel channel thermal-hydraulic module, an upper plenum/separator module, a feedwater/recirculation flow module, and amore » control system module. Its core neutronics module is based on the modified one-group neutron kinetics equation with the prompt jump approximation and with six delayed neutron precursor groups. The module is used to analyze one fuel bundle of the reactor core with one mesh (region). The fuel heat conduction/transfer module solves the one-dimensional heat conduction equation in the radial direction with ten nodes in the fuel pin. The fuel channel thermal-hydraulic module is based on separated three-equation, two-phase flow equations with the drift flux correlation, and it analyzes one fuel bundle of the reactor core with one channel to evaluate flow redistribution between channels precisely. Thermal margin is evaluated by using the GEXL correlation, for example, in the module.« less

Kinetic modelling of a diesel-polluted clayey soil bioremediation process.

PubMed

Fernández, Engracia Lacasa; Merlo, Elena Moliterni; Mayor, Lourdes Rodríguez; Camacho, José Villaseñor

2016-07-01

A mathematical model is proposed to describe a diesel-polluted clayey soil bioremediation process. The reaction system under study was considered a completely mixed closed batch reactor, which initially contacted a soil matrix polluted with diesel hydrocarbons, an aqueous liquid-specific culture medium and a microbial inoculation. The model coupled the mass transfer phenomena and the distribution of hydrocarbons among four phases (solid, S; water, A; non-aqueous liquid, NAPL; and air, V) with Monod kinetics. In the first step, the model simulating abiotic conditions was used to estimate only the mass transfer coefficients. In the second step, the model including both mass transfer and biodegradation phenomena was used to estimate the biological kinetic and stoichiometric parameters. In both situations, the model predictions were validated with experimental data that corresponded to previous research by the same authors. A correct fit between the model predictions and the experimental data was observed because the modelling curves captured the major trends for the diesel distribution in each phase. The model parameters were compared to different previously reported values found in the literature. Pearson correlation coefficients were used to show the reproducibility level of the model. Copyright © 2016. Published by Elsevier B.V.

Ozone delignification of pine and eucalyptus kraft pulps. 1: Kinetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Simoes, R.M.S.; Castro, J.A.A.M.

1999-12-01

The kinetics of ozone delignification of unbleached pine and eucalyptus kraft pulps is studied at ultralow consistency in a stirred reactor. Ozone consumption was monitored with sensors located in both the liquid and gas phases of the reacting medium, and the results confirm the expectations, i.e., the very high oxidation rates. The experiments were carried out following two different approaches that give rise to very different ozone concentration profiles in the pulp suspension and to significant improvements in the statistical contents of the experimental data. In the development of the delignification model, special attention was paid to its validation andmore » thus different sets of data for training and validation were used, leading to high levels of confidence in the model. As far as the delignification is concerned, its rate can be described for both pulps by a pseudohomogeneous model with partial orders of 1 and 2 for ozone and lignin contents, respectively. However, the remaining parameters of the kinetic model are markedly different for the two pulps. The effect of temperature on the delignification rate is small and can be characterized by an activation energy close to 20 kJ/mol for both pulps.« less

Natural Circulation Level Optimization and the Effect during ULOF Accident in the SPINNOR Reactors

NASA Astrophysics Data System (ADS)

Abdullah, Ade Gafar; Su'ud, Zaki; Kurniadi, Rizal; Kurniasih, Neny; Yulianti, Yanti

2010-12-01

Natural circulation level optimization and the effect during loss of flow accident in the 250 MWt MOX fuelled small Pb-Bi Cooled non-refueling nuclear reactors (SPINNOR) have been performed. The simulation was performed using FI-ITB safety code which has been developed in ITB. The simulation begins with steady state calculation of neutron flux, power distribution and temperature distribution across the core, hot pool and cool pool, and also steam generator. When the accident is started due to the loss of pumping power the power distribution and the temperature distribution of core, hot pool and cool pool, and steam generator change. Then the feedback reactivity calculation is conducted, followed by kinetic calculation. The process is repeated until the optimum power distribution is achieved. The results show that the SPINNOR reactor has inherent safety capability against this accident.

Kinetics of nitrate and perchlorate reduction in ion exchange brine using the membrane biofilm reactor (MBfR)

EPA Science Inventory

Several sources of bacterial inocula were tested for their ability to reduce nitrate and perchlorate in synthetic ion-exchange spent brine (3-4.5% salinity) using a hydrogen-based membrane biofilm reactor (MBfR). Nitrate and perchlorate removal fluxes reached as high as 5.4 g N ...

Remediation of trichloroethylene by bio-precipitated and encapsulated palladium nanoparticles in a fixed bed reactor.

PubMed

Hennebel, Tom; Verhagen, Pieter; Simoen, Henri; De Gusseme, Bart; Vlaeminck, Siegfried E; Boon, Nico; Verstraete, Willy

2009-08-01

Trichloroethylene is a toxic and recalcitrant groundwater pollutant. Palladium nanoparticles bio-precipitated on Shewanella oneidensis were encapsulated in polyurethane, polyacrylamide, alginate, silica or coated on zeolites. The reactivity of these bio-Pd beads and zeolites was tested in batch experiments and trichloroethylene dechlorination followed first order reaction kinetics. The calculated k-values of the encapsulated catalysts were a factor of six lower compared to non-encapsulated bio-Pd. Bio-Pd, used as a catalyst, was able to dechlorinate 100 mgL(-1) trichloroethylene within a time period of 1h. The main reaction product was ethane; yet small levels of chlorinated intermediates were detected. Subsequently polyurethane cubes empowered with bio-Pd were implemented in a fixed bed reactor for the treatment of water containing trichloroethylene. The influent recycle configuration resulted in a cumulative removal of 98% after 22 h. The same reactor in a flow through configuration achieved removal rates up to 1059 mg trichloroethylene g Pd(-1)d(-1). This work showed that fixed bed reactors with bio-Pd polyurethane cubes can be instrumental for remediation of water contaminated with trichloroethylene.

Plasma flow reactor for steady state monitoring of physical and chemical processes at high temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koroglu, Batikan; Mehl, Marco; Armstrong, Michael R.

Here, we present the development of a steady state plasma flow reactor to investigate gas phase physical and chemical processes that occur at high temperature (1000 < T < 5000 K) and atmospheric pressure. The reactor consists of a glass tube that is attached to an inductively coupled argon plasma generator via an adaptor (ring flow injector). We have modeled the system using computational fluid dynamics simulations that are bounded by measured temperatures. In situ line-of-sight optical emission and absorption spectroscopy have been used to determine the structures and concentrations of molecules formed during rapid cooling of reactants after theymore » pass through the plasma. Emission spectroscopy also enables us to determine the temperatures at which these dynamic processes occur. A sample collection probe inserted from the open end of the reactor is used to collect condensed materials and analyze them ex situ using electron microscopy. The preliminary results of two separate investigations involving the condensation of metal oxides and chemical kinetics of high-temperature gas reactions are discussed.« less

Plasma flow reactor for steady state monitoring of physical and chemical processes at high temperatures

DOE PAGES

Koroglu, Batikan; Mehl, Marco; Armstrong, Michael R.; ...

2017-09-11

Here, we present the development of a steady state plasma flow reactor to investigate gas phase physical and chemical processes that occur at high temperature (1000 < T < 5000 K) and atmospheric pressure. The reactor consists of a glass tube that is attached to an inductively coupled argon plasma generator via an adaptor (ring flow injector). We have modeled the system using computational fluid dynamics simulations that are bounded by measured temperatures. In situ line-of-sight optical emission and absorption spectroscopy have been used to determine the structures and concentrations of molecules formed during rapid cooling of reactants after theymore » pass through the plasma. Emission spectroscopy also enables us to determine the temperatures at which these dynamic processes occur. A sample collection probe inserted from the open end of the reactor is used to collect condensed materials and analyze them ex situ using electron microscopy. The preliminary results of two separate investigations involving the condensation of metal oxides and chemical kinetics of high-temperature gas reactions are discussed.« less

Heterogeneous decomposition of silane in a fixed bed reactor

NASA Technical Reports Server (NTRS)

Iya, S. K.; Flagella, R. N.; Dipaolo, F. S.

1982-01-01

Heterogeneous decomposition of silane in a fluidized bed offers an attractive route for the low-cost production of silicon for photovoltaic application. To obtain design data for a fluid bed silane pyrolysis reactor, deposition experiments were conducted in a small-scale fixed bed apparatus. Data on the decomposition mode, plating rate, and deposition morphology were obtained in the temperature range 600-900 C. Conditions favorable for heterogeneous decomposition with good deposition morphology were identified. The kinetic rate data showed the reaction to be first order with an activation energy of 38.8 kcal/mol, which agrees well with work done by others. The results are promising for the development of an economically attractive fluid bed process.

Effects of reaction-kinetic parameters on modeling reaction pathways in GaN MOVPE growth

NASA Astrophysics Data System (ADS)

Zhang, Hong; Zuo, Ran; Zhang, Guoyi

2017-11-01

In the modeling of the reaction-transport process in GaN MOVPE growth, the selections of kinetic parameters (activation energy Ea and pre-exponential factor A) for gas reactions are quite uncertain, which cause uncertainties in both gas reaction path and growth rate. In this study, numerical modeling of the reaction-transport process for GaN MOVPE growth in a vertical rotating disk reactor is conducted with varying kinetic parameters for main reaction paths. By comparisons of the molar concentrations of major Ga-containing species and the growth rates, the effects of kinetic parameters on gas reaction paths are determined. The results show that, depending on the values of the kinetic parameters, the gas reaction path may be dominated either by adduct/amide formation path, or by TMG pyrolysis path, or by both. Although the reaction path varies with different kinetic parameters, the predicted growth rates change only slightly because the total transport rate of Ga-containing species to the substrate changes slightly with reaction paths. This explains why previous authors using different chemical models predicted growth rates close to the experiment values. By varying the pre-exponential factor for the amide trimerization, it is found that the more trimers are formed, the lower the growth rates are than the experimental value, which indicates that trimers are poor growth precursors, because of thermal diffusion effect caused by high temperature gradient. The effective order for the contribution of major species to growth rate is found as: pyrolysis species > amides > trimers. The study also shows that radical reactions have little effect on gas reaction path because of the generation and depletion of H radicals in the chain reactions when NH2 is considered as the end species.

NEUTRONIC REACTOR

DOEpatents

Wigner, E.P.

1958-04-22

A nuclear reactor for isotope production is described. This reactor is designed to provide a maximum thermal neutron flux in a region adjacent to the periphery of the reactor rather than in the center of the reactor. The core of the reactor is generally centrally located with respect tn a surrounding first reflector, constructed of beryllium. The beryllium reflector is surrounded by a second reflector, constructed of graphite, which, in tune, is surrounded by a conventional thermal shield. Water is circulated through the core and the reflector and functions both as a moderator and a coolant. In order to produce a greatsr maximum thermal neutron flux adjacent to the periphery of the reactor rather than in the core, the reactor is designed so tbat the ratio of neutron scattering cross section to neutron absorption cross section averaged over all of the materials in the reflector is approximately twice the ratio of neutron scattering cross section to neutron absorption cross section averaged over all of the material of the core of the reactor.

A kinetic equation with kinetic entropy functions for scalar conservation laws

NASA Technical Reports Server (NTRS)

Perthame, Benoit; Tadmor, Eitan

1990-01-01

A nonlinear kinetic equation is constructed and proved to be well-adapted to describe general multidimensional scalar conservation laws. In particular, it is proved to be well-posed uniformly in epsilon - the microscopic scale. It is also shown that the proposed kinetic equation is equipped with a family of kinetic entropy functions - analogous to Boltzmann's microscopic H-function, such that they recover Krushkov-type entropy inequality on the macroscopic scale. Finally, it is proved by both - BV compactness arguments in the one-dimensional case, that the local density of kinetic particles admits a continuum limit, as it converges strongly with epsilon below 0 to the unique entropy solution of the corresponding conservation law.

Control of reactor coolant flow path during reactor decay heat removal

DOEpatents

Hunsbedt, Anstein N.

1988-01-01

An improved reactor vessel auxiliary cooling system for a sodium cooled nuclear reactor is disclosed. The sodium cooled nuclear reactor is of the type having a reactor vessel liner separating the reactor hot pool on the upstream side of an intermediate heat exchanger and the reactor cold pool on the downstream side of the intermediate heat exchanger. The improvement includes a flow path across the reactor vessel liner flow gap which dissipates core heat across the reactor vessel and containment vessel responsive to a casualty including the loss of normal heat removal paths and associated shutdown of the main coolant liquid sodium pumps. In normal operation, the reactor vessel cold pool is inlet to the suction side of coolant liquid sodium pumps, these pumps being of the electromagnetic variety. The pumps discharge through the core into the reactor hot pool and then through an intermediate heat exchanger where the heat generated in the reactor core is discharged. Upon outlet from the heat exchanger, the sodium is returned to the reactor cold pool. The improvement includes placing a jet pump across the reactor vessel liner flow gap, pumping a small flow of liquid sodium from the lower pressure cold pool into the hot pool. The jet pump has a small high pressure driving stream diverted from the high pressure side of the reactor pumps. During normal operation, the jet pumps supplement the normal reactor pressure differential from the lower pressure cold pool to the hot pool. Upon the occurrence of a casualty involving loss of coolant pump pressure, and immediate cooling circuit is established by the back flow of sodium through the jet pumps from the reactor vessel hot pool to the reactor vessel cold pool. The cooling circuit includes flow into the reactor vessel liner flow gap immediate the reactor vessel wall and containment vessel where optimum and immediate discharge of residual reactor heat occurs.

Kerosene combustion at pressures up to 40 atm: Experimental study and detailed chemical kinetic modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dagaut, P.; Reuillon, M.; Boettner, J.C.

1994-12-31

The oxidation of TR0 kerosene (jet A1 aviation fuel) was studied in a jet-stirred reactor (JSR) at pressures extending from 10 to 40 atm, in the temperature range 750--1,150 K. A large number of reaction intermediates were identified, and their concentrations were followed for reaction yields ranging from low conversion to the formation of the final products. A reference hydrocarbon, n-decane, studied under the same experimental conditions gave very similar experimental concentration profiles for the main oxidation products. Because of the strong analogy between n-decane and kerosene oxidation kinetics, a detailed chemical kinetic reaction mechanisms describing the oxidation of n-decanemore » was built to reproduce the present experimental results. This mechanisms includes 573 elementary reactions, most of them being reversible, among 90 chemical species. A reasonably good prediction of the concentrations of major species was obtained by computation, covering the whole range of temperature, pressures, and equivalence ratios of the experiments. A kinetic analysis performed to identify the dominant reaction steps of the mechanism shows that, under the conditions of the present study (intermediate temperature and high pressure), HO{sub 2} radicals are important chain carriers leading to the formation of the branching agent H{sub 2}O{sub 2}.« less

Ozonation of hospital raw wastewaters for cytostatic compounds removal. Kinetic modelling and economic assessment of the process.

PubMed

Ferre-Aracil, J; Valcárcel, Y; Negreira, N; de Alda, M López; Barceló, D; Cardona, S C; Navarro-Laboulais, J

2016-06-15

The kinetics of the ozone consumption for the pretreatment of hospital wastewater has been analysed in order to determine the reaction rate coefficients between the ozone and the readily oxidisabled organic matter and cytostatic compounds. The wastewater from a medium size hospital was treated with ozone and peroxone methodologies, varying the ozone concentration, the reaction time and the hydrogen peroxide doses. The analysis shows that there are four cytostatic compounds, i.e. irinotecan, ifosfamide, cyclophosphamide and capecitabine, detected in the wastewaters and they are completely removed with reasonably short times after the ozone treatment. Considering the reactor geometry, the gas hydrodynamics, the mass transfer of ozone from gas to liquid and the reaction of all oxidisable compounds of the wastewater it is possible to determine the chemical ozone demand, COzD, of the sample as 256mgO3L(-1) and the kinetic rate coefficient with the dissolved organic matter as 8.4M(-1)s(-1). The kinetic rate coefficient between the ozone and the cyclophosphamide is in the order of 34.7M(-1)s(-1) and higher for the other cytostatics. The direct economic cost of the treatment was evaluated considering this reaction kinetics and it is below 0.3€/m(3) under given circumstances. Copyright © 2016 Elsevier B.V. All rights reserved.

Delayed Neutrons Effect on Power Reactor with Variation of Fluid Fuel Velocity at MSR Fuji-12

NASA Astrophysics Data System (ADS)

Kuncoro Aji, Indarta; Pramuditya, Syeilendra; Novitrian; Irwanto, Dwi; Waris, Abdul

2017-01-01

As the nuclear reactor operate with liquid fuel, controlling velocity of the fuel flow on the Molten salt reactor very influence on the neutron kinetics in that reactor system. The effect of the pace fuel changes to the populations number of neutrons and power density on vertical direction (1 dimension) from the first until fifth year reactor operating had been analyzed on this research. This research had been conducted on MSR Fuji-12 with a two meters core high, and LiF-BeF2-ThF4-233UF4 as fuel composition respectively 71.78%-16%-11.86%-0.36%. Data of reactivity, neutron flux, and the macroscopic fission cross section obtained from ouput of SRAC (neutronic calculation code has been developed by JAEA, with JENDL-4.0 as data library on the SRAC calculation) was being used for the calculation process of this research. The calculation process of this research had been performed numerically by SOR (successive over relaxation) and finite difference methode, as well as using C programing language. From the calculation, regarding to the value of power density resulting from delayed neutrons, concluded that 20 m/s is the optimum fuel flow velocity in all the years reactor had operated. Where the increases number of power are inversely proportional with the fuel flow speed.

Non-Isothermal Kinetics.

ERIC Educational Resources Information Center

Brown, M. E.; Phillpotts, C. A. R.

1978-01-01

Discusses the principle of nonisothermal kinetics and some of the factors involved in such reactions, especially when considering the reliability of the kinetic parameters, compared to those of isothermal conditions. (GA)

Nitrous oxide production kinetics during nitrate reduction in river sediments.

PubMed

Laverman, Anniet M; Garnier, Josette A; Mounier, Emmanuelle M; Roose-Amsaleg, Céline L

2010-03-01

A significant amount of nitrogen entering river basins is denitrified in riparian zones. The aim of this study was to evaluate the influence of nitrate and carbon concentrations on the kinetic parameters of nitrate reduction as well as nitrous oxide emissions in river sediments in a tributary of the Marne (the Seine basin, France). In order to determine these rates, we used flow-through reactors (FTRs) and slurry incubations; flow-through reactors allow determination of rates on intact sediment slices under controlled conditions compared to sediment homogenization in the often used slurry technique. Maximum nitrate reduction rates (R(m)) ranged between 3.0 and 7.1microg Ng(-1)h(-1), and affinity constant (K(m)) ranged from 7.4 to 30.7mg N-NO(3)(-)L(-1). These values were higher in slurry incubations with an R(m) of 37.9microg Ng(-1)h(-1) and a K(m) of 104mg N-NO(3)(-)L(-1). Nitrous oxide production rates did not follow Michaelis-Menten kinetics, and we deduced a rate constant with an average of 0.7 and 5.4ng Ng(-1)h(-1) for FTR and slurry experiments respectively. The addition of carbon (as acetate) showed that carbon was not limiting nitrate reduction rates in these sediments. Similar rates were obtained for FTR and slurries with carbon addition, confirming the hypothesis that homogenization increases rates due to release of and increasing access to carbon in slurries. Nitrous oxide production rates in FTR with carbon additions were low and represented less than 0.01% of the nitrate reduction rates and were even negligible in slurries. Maximum nitrate reduction rates revealed seasonality with high potential rates in fall and winter and low rates in late spring and summer. Under optimal conditions (anoxia, non-limiting nitrate and carbon), nitrous oxide emission rates were low, but significant (0.01% of the nitrate reduction rates). Copyright 2009 Elsevier Ltd. All rights reserved.

Occurrence of dead core in catalytic particles containing immobilized enzymes: analysis for the Michaelis-Menten kinetics and assessment of numerical methods.

PubMed

Pereira, Félix Monteiro; Oliveira, Samuel Conceição

2016-11-01

In this article, the occurrence of dead core in catalytic particles containing immobilized enzymes is analyzed for the Michaelis-Menten kinetics. An assessment of numerical methods is performed to solve the boundary value problem generated by the mathematical modeling of diffusion and reaction processes under steady state and isothermal conditions. Two classes of numerical methods were employed: shooting and collocation. The shooting method used the ode function from Scilab software. The collocation methods included: that implemented by the bvode function of Scilab, the orthogonal collocation, and the orthogonal collocation on finite elements. The methods were validated for simplified forms of the Michaelis-Menten equation (zero-order and first-order kinetics), for which analytical solutions are available. Among the methods covered in this article, the orthogonal collocation on finite elements proved to be the most robust and efficient method to solve the boundary value problem concerning Michaelis-Menten kinetics. For this enzyme kinetics, it was found that the dead core can occur when verified certain conditions of diffusion-reaction within the catalytic particle. The application of the concepts and methods presented in this study will allow for a more generalized analysis and more accurate designs of heterogeneous enzymatic reactors.

Long-term Kinetics of Uranyl Desorption from Sediments Under Advective Conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shang, Jianying; Liu, Chongxuan; Wang, Zheming

2014-02-15

Long-term (> 4 months) column experiments were performed to investigate the kinetics of uranyl (U(VI)) desorption in sediments collected from the Integrated Field Research Challenge (IFRC) site at the US Department of Energy (DOE) Hanford 300 Area. The experimental results were used to evaluate alternative multi-rate surface complexation reaction (SCR) approaches to describe the short- and long-term kinetics of U(VI) desorption under flow conditions. The SCR stoichiometry, equilibrium constants, and multi-rate parameters were independently characterized in batch and stirred flow-cell reactors. Multi-rate SCR models that were either additively constructed using the SCRs for individual size fractions (e.g., Shang et al.,more » 2011), or composite in nature could effectively describe short-term U(VI) desorption under flow conditions. The long-term desorption results, however, revealed that using a labile U concentration measured by carbonate extraction under-estimated desorbable U(VI) and the long-term rate of U(VI) desorption. An alternative modeling approach using total U as the desorbable U(VI) concentration was proposed to overcome this difficulty. This study also found that the gravel size fraction (2-8 mm), which is typically treated as non-reactive in modeling U(VI) reactive transport because of low external surface area, can have an important effect on the U(VI) desorption in the sediment. This study demonstrates an approach to effectively extrapolate U(VI) desorption kinetics for field-scale application, and identifies important parameters and uncertainties affecting model predictions.« less

NEUTRONIC REACTOR

DOEpatents

Fermi, E.; Zinn, W.H.; Anderson, H.L.

1958-09-16

Means are presenied for increasing the reproduction ratio of a gaphite- moderated neutronic reactor by diminishing the neutron loss due to absorption or capture by gaseous impurities within the reactor. This means comprised of a fluid-tight casing or envelope completely enclosing the reactor and provided with a valve through which the casing, and thereby the reactor, may be evacuated of atmospheric air.

Mineral solubility and free energy controls on microbial reaction kinetics: Application to contaminant transport in the subsurface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taillefert, Martial; Van Cappellen, Philippe

Recent developments in the theoretical treatment of geomicrobial reaction processes have resulted in the formulation of kinetic models that directly link the rates of microbial respiration and growth to the corresponding thermodynamic driving forces. The overall objective of this project was to verify and calibrate these kinetic models for the microbial reduction of uranium(VI) in geochemical conditions that mimic as much as possible field conditions. The approach combined modeling of bacterial processes using new bioenergetic rate laws, laboratory experiments to determine the bioavailability of uranium during uranium bioreduction, evaluation of microbial growth yield under energy-limited conditions using bioreactor experiments, competitionmore » experiments between metabolic processes in environmentally relevant conditions, and model applications at the field scale. The new kinetic descriptions of microbial U(VI) and Fe(III) reduction should replace those currently used in reactive transport models that couple catabolic energy generation and growth of microbial populations to the rates of biogeochemical redox processes. The above work was carried out in collaboration between the groups of Taillefert (batch reactor experiments and reaction modeling) at Georgia Tech and Van Cappellen (retentostat experiments and reactive transport modeling) at University of Waterloo (Canada).« less

Analysis of JSI TRIGA MARK II reactor physical parameters calculated with TRIPOLI and MCNP.

PubMed

Henry, R; Tiselj, I; Snoj, L

2015-03-01

New computational model of the JSI TRIGA Mark II research reactor was built for TRIPOLI computer code and compared with existing MCNP code model. The same modelling assumptions were used in order to check the differences of the mathematical models of both Monte Carlo codes. Differences between the TRIPOLI and MCNP predictions of keff were up to 100pcm. Further validation was performed with analyses of the normalized reaction rates and computations of kinetic parameters for various core configurations. Copyright © 2014 Elsevier Ltd. All rights reserved.

Kinetics analysis and quantitative calculations for the successive radioactive decay process

NASA Astrophysics Data System (ADS)

Zhou, Zhiping; Yan, Deyue; Zhao, Yuliang; Chai, Zhifang

2015-01-01

The general radioactive decay kinetics equations with branching were developed and the analytical solutions were derived by Laplace transform method. The time dependence of all the nuclide concentrations can be easily obtained by applying the equations to any known radioactive decay series. Taking the example of thorium radioactive decay series, the concentration evolution over time of various nuclide members in the family has been given by the quantitative numerical calculations with a computer. The method can be applied to the quantitative prediction and analysis for the daughter nuclides in the successive decay with branching of the complicated radioactive processes, such as the natural radioactive decay series, nuclear reactor, nuclear waste disposal, nuclear spallation, synthesis and identification of superheavy nuclides, radioactive ion beam physics and chemistry, etc.

Sludge reduction in a small wastewater treatment plant by electro-kinetic disintegration.

PubMed

Chiavola, Agostina; Ridolfi, Alessandra; D'Amato, Emilio; Bongirolami, Simona; Cima, Ennio; Sirini, Piero; Gavasci, Renato

2015-01-01

Sludge reduction in a wastewater treatment plant (WWTP) has recently become a key issue for the managing companies, due to the increasing constraints on the disposal alternatives. Therefore, all the solutions proposed with the aim of minimizing sludge production are receiving increasing attention and are tested either at laboratory or full-scale to evaluate their real effectiveness. In the present paper, electro-kinetic disintegration has been applied at full-scale in the recycle loop of the sludge drawn from the secondary settlement tank of a small WWTP for domestic sewage. After the disintegration stage, the treated sludge was returned to the biological reactor. Three different percentages (50, 75 and 100%) of the return sludge flow rate were subjected to disintegration and the effects on the sludge production and the WWTP operation efficiency evaluated. The long-term observations showed that the electro-kinetic disintegration was able to drastically reduce the amount of biological sludge produced by the plant, without affecting its treatment efficiency. The highest reduction was achieved when 100% return sludge flow rate was subjected to the disintegration process. The reduced sludge production gave rise to a considerable net cost saving for the company which manages the plant.

Nuclear Reactors. Revised.

ERIC Educational Resources Information Center

Hogerton, John F.

This publication is one of a series of information booklets for the general public published by the United States Atomic Energy Commission. Among the topics discussed are: How Reactors Work; Reactor Design; Research, Teaching, and Materials Testing; Reactors (Research, Teaching and Materials); Production Reactors; Reactors for Electric Power…

A prospectus on kinetic heliophysics

NASA Astrophysics Data System (ADS)

Howes, Gregory G.

2017-05-01

Under the low density and high temperature conditions typical of heliospheric plasmas, the macroscopic evolution of the heliosphere is strongly affected by the kinetic plasma physics governing fundamental microphysical mechanisms. Kinetic turbulence, collisionless magnetic reconnection, particle acceleration, and kinetic instabilities are four poorly understood, grand-challenge problems that lie at the new frontier of kinetic heliophysics. The increasing availability of high cadence and high phase-space resolution measurements of particle velocity distributions by current and upcoming spacecraft missions and of massively parallel nonlinear kinetic simulations of weakly collisional heliospheric plasmas provides the opportunity to transform our understanding of these kinetic mechanisms through the full utilization of the information contained in the particle velocity distributions. Several major considerations for future investigations of kinetic heliophysics are examined. Turbulent dissipation followed by particle heating is highlighted as an inherently two-step process in weakly collisional plasmas, distinct from the more familiar case in fluid theory. Concerted efforts must be made to tackle the big-data challenge of visualizing the high-dimensional (3D-3V) phase space of kinetic plasma theory through physics-based reductions. Furthermore, the development of innovative analysis methods that utilize full velocity-space measurements, such as the field-particle correlation technique, will enable us to gain deeper insight into these four grand-challenge problems of kinetic heliophysics. A systems approach to tackle the multi-scale problem of heliophysics through a rigorous connection between the kinetic physics at microscales and the self-consistent evolution of the heliosphere at macroscales will propel the field of kinetic heliophysics into the future.

A prospectus on kinetic heliophysics

PubMed Central

2017-01-01

Under the low density and high temperature conditions typical of heliospheric plasmas, the macroscopic evolution of the heliosphere is strongly affected by the kinetic plasma physics governing fundamental microphysical mechanisms. Kinetic turbulence, collisionless magnetic reconnection, particle acceleration, and kinetic instabilities are four poorly understood, grand-challenge problems that lie at the new frontier of kinetic heliophysics. The increasing availability of high cadence and high phase-space resolution measurements of particle velocity distributions by current and upcoming spacecraft missions and of massively parallel nonlinear kinetic simulations of weakly collisional heliospheric plasmas provides the opportunity to transform our understanding of these kinetic mechanisms through the full utilization of the information contained in the particle velocity distributions. Several major considerations for future investigations of kinetic heliophysics are examined. Turbulent dissipation followed by particle heating is highlighted as an inherently two-step process in weakly collisional plasmas, distinct from the more familiar case in fluid theory. Concerted efforts must be made to tackle the big-data challenge of visualizing the high-dimensional (3D-3V) phase space of kinetic plasma theory through physics-based reductions. Furthermore, the development of innovative analysis methods that utilize full velocity-space measurements, such as the field-particle correlation technique, will enable us to gain deeper insight into these four grand-challenge problems of kinetic heliophysics. A systems approach to tackle the multi-scale problem of heliophysics through a rigorous connection between the kinetic physics at microscales and the self-consistent evolution of the heliosphere at macroscales will propel the field of kinetic heliophysics into the future. PMID:29104421

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

NASA Astrophysics Data System (ADS)

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

Optimization of hydrogen dispersion in thermophilic up-flow reactors for ex situ biogas upgrading.

PubMed

Bassani, Ilaria; Kougias, Panagiotis G; Treu, Laura; Porté, Hugo; Campanaro, Stefano; Angelidaki, Irini

2017-06-01

This study evaluates the efficiency of four novel up-flow reactors for ex situ biogas upgrading converting externally provided CO 2 and H 2 to CH 4 , via hydrogenotrophic methanogenesis. The gases were injected through stainless steel diffusers combined with alumina ceramic sponge or through alumina ceramic membranes. Pore size, input gas loading and gas recirculation flow rate were modulated to optimize gas-liquid mass transfer, and thus methanation efficiency. Results showed that larger pore size diffusion devices achieved the best kinetics and output-gas quality converting all the injected H 2 and CO 2 , up to 3.6L/L REACTOR ·d H 2 loading rate. Specifically, reactors' CH 4 content increased from 23 to 96% and the CH 4 yield reached 0.25L CH4/ L H2 . High throughput 16S rRNA gene sequencing revealed predominance of bacteria belonging to Anaerobaculum genus and to uncultured order MBA08. Additionally, the massive increase of hydrogenotrophic methanogens, such as Methanothermobacter thermautotrophicus, and syntrophic bacteria demonstrates the selection-effect of H 2 on community composition. Copyright © 2017 Elsevier Ltd. All rights reserved.

Sulfide and ammonium oxidation, acetate mineralization by denitrification in a multipurpose UASB reactor.

PubMed

Beristain-Cardoso, Ricardo; Gómez, Jorge; Méndez-Pampín, Ramón

2011-02-01

The physiological and kinetic behavior of a denitrifying granular sludge exposed to different sulfide loading rates (55-295 mg/L d) were evaluated in a UASB reactor fed with acetate, ammonium and nitrate. At any sulfide loading rates, the consumption efficiencies of sulfide, acetate and ammonium were above 95%, while nitrate consumption efficiencies were around 62-72%. At the highest sulfide loading rate the ammonium was used as electron donor for N(2) production. The increase of sulfide loading rate also affected the fate of sulfide oxidation, since elemental sulfur was the main end product instead of sulfate. However, the lithotrophic denitrifying kinetic was not affected. FISH oligonucleotide probes for Thiobacillus denitrificans, Thiomiscropira denitrificans, genus Paracoccus and Pseudomonas spp. were used to follow the microbial ecology. The results of this work have shown that four pollutants could simultaneously be removed, namely, sulfide, ammonium, acetate and nitrate under well defined denitrifying conditions. Copyright © 2010 Elsevier Ltd. All rights reserved.

Scalable synthesis of palladium icosahedra in plug reactors for the production of oxygen reduction reaction catalysts

DOE PAGES

Wang, Helan; Niu, Guangda; Zhou, Ming; ...

2016-03-10

We have synthesized Pd icosahedra with uniform, controllable sizes in plug reactors separated by air. The oxygen contained in the air segments not only contributed to the generation of a reductant from diethylene glycol in situ, but also oxidized elemental Pd back to the ionic form by oxidative etching and thus slowed down the reduction kinetics. Compared to droplet reactors involving silicone oil or fluorocarbon, the use of air as a carrier phase could reduce the production cost by avoiding additional procedures for the separation of products from the oil. The average diameters of the Pd icosahedra could be readilymore » controlled in the range of 12–20 nm. The Pd icosahedra were further employed as seeds for the production of Pd@Pt 2–3L core-shell icosahedra, which could serve as a catalyst toward the oxygen reduction reaction with greatly enhanced activity. As a result, we believe that the plug reactors could be extended to other types of noble-metal nanocrystals for their scale-up production.« less

Preparation of steam activated carbon from rubberwood sawdust (Hevea brasiliensis) and its adsorption kinetics.

PubMed

Prakash Kumar, B G; Shivakamy, K; Miranda, Lima Rose; Velan, M

2006-08-25

Activated carbon was produced from a biowaste product, rubberwood sawdust (RWSD) using steam in a high temperature fluidized bed reactor. Experiments were carried out to investigate the influence of various process parameters such as activation time, activation temperature, particle size and fluidising velocity on the quality of the activated carbon. The activated carbon was characterized based on its iodine number, methylene blue number, Brauner Emmet Teller (BET) surface area and surface area obtained using the ethylene glycol mono ethyl ether (EGME) retention method. The best quality activated carbon was obtained at an activation time and temperature of 1h and 750 degrees C for an average particle size of 0.46 mm. The adsorption kinetics shows that pseudo-second-order rate fitted the adsorption kinetics better than pseudo-first-order rate equation. The adsorption capacity of carbon produced from RWSD was found to be 1250 mg g(-1) for the Bismark Brown dye. The rate constant and diffusion coefficient for intraparticle transport were determined for steam activated carbon. The characteristic of the prepared activated carbon was found comparable to the commercial activated carbon.

Identifiability of sorption parameters in stirred flow-through reactor experiments and their identification with a Bayesian approach.

PubMed

Nicoulaud-Gouin, V; Garcia-Sanchez, L; Giacalone, M; Attard, J C; Martin-Garin, A; Bois, F Y

2016-10-01

This paper addresses the methodological conditions -particularly experimental design and statistical inference- ensuring the identifiability of sorption parameters from breakthrough curves measured during stirred flow-through reactor experiments also known as continuous flow stirred-tank reactor (CSTR) experiments. The equilibrium-kinetic (EK) sorption model was selected as nonequilibrium parameterization embedding the K d approach. Parameter identifiability was studied formally on the equations governing outlet concentrations. It was also studied numerically on 6 simulated CSTR experiments on a soil with known equilibrium-kinetic sorption parameters. EK sorption parameters can not be identified from a single breakthrough curve of a CSTR experiment, because K d,1 and k - were diagnosed collinear. For pairs of CSTR experiments, Bayesian inference allowed to select the correct models of sorption and error among sorption alternatives. Bayesian inference was conducted with SAMCAT software (Sensitivity Analysis and Markov Chain simulations Applied to Transfer models) which launched the simulations through the embedded simulation engine GNU-MCSim, and automated their configuration and post-processing. Experimental designs consisting in varying flow rates between experiments reaching equilibrium at contamination stage were found optimal, because they simultaneously gave accurate sorption parameters and predictions. Bayesian results were comparable to maximum likehood method but they avoided convergence problems, the marginal likelihood allowed to compare all models, and credible interval gave directly the uncertainty of sorption parameters θ. Although these findings are limited to the specific conditions studied here, in particular the considered sorption model, the chosen parameter values and error structure, they help in the conception and analysis of future CSTR experiments with radionuclides whose kinetic behaviour is suspected. Copyright © 2016 Elsevier Ltd. All

Accurate evaluation for the biofilm-activated sludge reactor using graphical techniques

NASA Astrophysics Data System (ADS)

Fouad, Moharram; Bhargava, Renu

2018-05-01

A complete graphical solution is obtained for the completely mixed biofilm-activated sludge reactor (hybrid reactor). The solution consists of a series of curves deduced from the principal equations of the hybrid system after converting them in dimensionless form. The curves estimate the basic parameters of the hybrid system such as suspended biomass concentration, sludge residence time, wasted mass of sludge, and food to biomass ratio. All of these parameters can be expressed as functions of hydraulic retention time, influent substrate concentration, substrate concentration in the bulk, stagnant liquid layer thickness, and the minimum substrate concentration which can maintain the biofilm growth in addition to the basic kinetics of the activated sludge process in which all these variables are expressed in a dimensionless form. Compared to other solutions of such system these curves are simple, easy to use, and provide an accurate tool for analyzing such system based on fundamental principles. Further, these curves may be used as a quick tool to get the effect of variables change on the other parameters and the whole system.

CONVECTION REACTOR

DOEpatents

Hammond, R.P.; King, L.D.P.

1960-03-22

An homogeneous nuclear power reactor utilizing convection circulation of the liquid fuel is proposed. The reactor has an internal heat exchanger looated in the same pressure vessel as the critical assembly, thereby eliminating necessity for handling the hot liquid fuel outside the reactor pressure vessel during normal operation. The liquid fuel used in this reactor eliminates the necessity for extensive radiolytic gas rocombination apparatus, and the reactor is resiliently pressurized and, without any movable mechanical apparatus, automatically regulates itself to the condition of criticality during moderate variations in temperature snd pressure and shuts itself down as the pressure exceeds a predetermined safe operating value.

BOILING REACTORS

DOEpatents

Untermyer, S.

1962-04-10

A boiling reactor having a reactivity which is reduced by an increase in the volume of vaporized coolant therein is described. In this system unvaporized liquid coolant is extracted from the reactor, heat is extracted therefrom, and it is returned to the reactor as sub-cooled liquid coolant. This reduces a portion of the coolant which includes vaporized coolant within the core assembly thereby enhancing the power output of the assembly and rendering the reactor substantially self-regulating. (AEC)

Flash crystallization kinetics of methane (sI) hydrate in a thermoelectrically-cooled microreactor.

PubMed

Chen, Weiqi; Pinho, Bruno; Hartman, Ryan L

2017-09-12

The crystallization kinetics of methane (sI) hydrate were investigated in a thermoelectrically-cooled microreactor with in situ Raman spectroscopy. Step-wise and precise control of the temperature allowed acquisition of reproducible data within minutes, while the nucleation of methane hydrates can take up to 24 h in traditional batch reactors. The propagation rates of methane hydrate (from 3.1-196.3 μm s -1 ) at the gas-liquid interface were measured for different Reynolds' numbers (0.7-68.9), pressures (30.0-80.9 bar), and sub-cooling temperatures (1.0-4.0 K). The precise measurement of the propagation rates and their subsequent analyses revealed a transition from mixed heat-transfer-crystallization-rate-limited to mixed heat-transfer-mass-transfer-crystallization-rate-limited kinetics. A theoretical model, based on heat transfer, mass transfer, and intrinsic crystallization kinetics, was derived for the first time to understand the non-linear relationship between the propagation rate and sub-cooling temperature. The molecular diffusivity of methane within a stagnant film (ahead of the propagation front) was discovered to follow Stokes-Einstein, while calculated Hatta (0.50-0.68), Lewis (128-207), and beta (0.79-116) numbers also confirmed that the diffusive flux influences crystal growth. Understanding methane hydrate crystal growth is important to the atmospheric, oceanic, and planetary sciences and to energy production, storage, and transportation. Our discoveries could someday advance the science of other multiphase, high-pressure, and sub-cooled crystallizations.

Biodegradation of pharmaceuticals in hospital wastewater by staged Moving Bed Biofilm Reactors (MBBR).

PubMed

Casas, Mònica Escolà; Chhetri, Ravi Kumar; Ooi, Gordon; Hansen, Kamilla M S; Litty, Klaus; Christensson, Magnus; Kragelund, Caroline; Andersen, Henrik R; Bester, Kai

2015-10-15

Hospital wastewater represents a significant input of pharmaceuticals into municipal wastewater. As Moving Bed Biofilm Reactors (MBBRs) appear to remove organic micro-pollutants, hospital wastewater was treated with a pilot plant consisting of three MBBRs in series. The removal of pharmaceuticals was studied in two experiments: 1) A batch experiment where pharmaceuticals were spiked to each reactor and 2) a continuous flow experiment at native concentrations. DOC removal, nitrification as well as removal of pharmaceuticals (including X-ray contrast media, β-blockers, analgesics and antibiotics) occurred mainly in the first reactor. In the batch experiment most of the compounds followed a single first-order kinetics degradation function, giving degradation rate constants ranged from 5.77 × 10(-3) to 4.07 h(-1), from -5.53 × 10(-3) to 9.24 × 10(-1) h(-1) and from 1.83 × 10(-3) to 2.42 × 10(-1) h(-1) for first, second and third reactor respectively. Generally, the highest removal rate constants were found in the first reactor while the lowest were found in the third one. This order was inverted for most compounds, when the removal rate constants were normalized to biomass, indicating that the last tank had the most effective biofilms. In the batch experiment, 21 out of 26 compounds were assessed to be degraded with more than 20% within the MBBR train. In the continuous flow experiment the measured removal rates were lower than those estimated from the batch experiments. Copyright © 2015 Elsevier Ltd. All rights reserved.

Nuclear Reactor Physics

NASA Astrophysics Data System (ADS)

Stacey, Weston M.

2001-02-01

An authoritative textbook and up-to-date professional's guide to basic and advanced principles and practices Nuclear reactors now account for a significant portion of the electrical power generated worldwide. At the same time, the past few decades have seen an ever-increasing number of industrial, medical, military, and research applications for nuclear reactors. Nuclear reactor physics is the core discipline of nuclear engineering, and as the first comprehensive textbook and reference on basic and advanced nuclear reactor physics to appear in a quarter century, this book fills a large gap in the professional literature. Nuclear Reactor Physics is a textbook for students new to the subject, for others who need a basic understanding of how nuclear reactors work, as well as for those who are, or wish to become, specialists in nuclear reactor physics and reactor physics computations. It is also a valuable resource for engineers responsible for the operation of nuclear reactors. Dr. Weston Stacey begins with clear presentations of the basic physical principles, nuclear data, and computational methodology needed to understand both the static and dynamic behaviors of nuclear reactors. This is followed by in-depth discussions of advanced concepts, including extensive treatment of neutron transport computational methods. As an aid to comprehension and quick mastery of computational skills, he provides numerous examples illustrating step-by-step procedures for performing the calculations described and chapter-end problems. Nuclear Reactor Physics is a useful textbook and working reference. It is an excellent self-teaching guide for research scientists, engineers, and technicians involved in industrial, research, and military applications of nuclear reactors, as well as government regulators who wish to increase their understanding of nuclear reactors.

Chemical kinetic modeling of propene oxidation at low and intermediate temperatures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilk, R.D.; Cernansky, N.P.; Pitz, W.J.

1986-01-13

A detailed chemical kinetic mechanism for propene oxidation is developed and used to model reactions in a static reactor at temperatures of 590 to 740/sup 0/K, equivalence ratios of 0.8 to 2.0, and a pressure of 600 torr. Modeling of hydrocarbon oxidation in this temperature range is important for the validation of detailed models to be used for performing calculations related to automotive engine knock. The model predicted induction periods and species concentrations for all the species measured experimentally in a static reactor by Wilk, Cernansky, and Cohen. The detailed model predicted a temperature region of approximately constant induction periodmore » which corresponded very closely to the region of negative temperature coefficient behavior found in the experiment. Overall, the calculated concentrations of acetaldehyde, ethene, and methane were somewhat low compared to the experimental measurements, and the calculated concentrations of formaldehyde and methanol were high. The characteristic s-shape of the fuel concentration history was well predicted. The importance of OH+C/sub 3/H/sub 6/ and related rections in determining product distributions and the importance of consumption reactions for allyl radicals was demonstrated by the modeling calculations. 18 refs., 4 figs., 1 tab.« less

Nuclear-coupled thermal-hydraulic stability analysis of boiling water reactors

NASA Astrophysics Data System (ADS)

Karve, Atul A.

We have studied the nuclear-coupled thermal-hydraulic stability of boiling water reactors (BWRs) using a model we developed from: the space-time modal neutron kinetics equations based on spatial omega-modes, the equations for two-phase flow in parallel boiling channels, the fuel rod heat conduction equations, and a simple model for the recirculation loop. The model is represented as a dynamical system comprised of time-dependent nonlinear ordinary differential equations, and it is studied using stability analysis, modern bifurcation theory, and numerical simulations. We first determine the stability boundary (SB) in the most relevant parameter plane, the inlet-subcooling-number/external-pressure-drop plane, for a fixed control rod induced external reactivity equal to the 100% rod line value and then transform the SB to the practical power-flow map. Using this SB, we show that the normal operating point at 100% power is very stable, stability of points on the 100% rod line decreases as the flow rate is reduced, and that points are least stable in the low-flow/high-power region. We also determine the SB when the modal kinetics is replaced by simple point reactor kinetics and show that the first harmonic mode has no significant effect on the SB. Later we carry out the relevant numerical simulations where we first show that the Hopf bifurcation, that occurs as a parameter is varied across the SB is subcritical, and that, in the important low-flow/high-power region, growing oscillations can result following small finite perturbations of stable steady-states on the 100% rod line. Hence, a point on the 100% rod line in the low-flow/high-power region, although stable, may nevertheless be a point at which a BWR should not be operated. Numerical simulations are then done to calculate the decay ratios (DRs) and frequencies of oscillations for various points on the 100% rod line. It is determined that the NRC requirement of DR < 0.75-0.8 is not rigorously satisfied in the low

Kinetic modeling of ethane pyrolysis at high conversion.

PubMed

Xu, Chen; Al Shoaibi, Ahmed Sultan; Wang, Chenguang; Carstensen, Hans-Heinrich; Dean, Anthony M

2011-09-29

The primary objective of this study is to develop an improved first-principle-based mechanism that describes the molecular weight growth kinetics observed during ethane pyrolysis. A proper characterization of the kinetics of ethane pyrolysis is a prerequisite for any analysis of hydrocarbon pyrolysis and oxidation. Flow reactor experiments were performed with ~50/50 ethane/nitrogen mixtures with temperatures ranging from 550 to 850 °C at an absolute pressure of ~0.8 atm and a residence time of ~5 s. These conditions result in ethane conversions ranging from virtually no reaction to ~90%. Comparisons of predictions using our original mechanism to these data yielded very satisfactory results in terms of the temperature dependence of ethane conversion and prediction of the major products ethylene and hydrogen. However, there were discrepancies in some of the minor species concentrations that are involved in the molecular weight growth kinetics. We performed a series of CBS-QB3 analyses for the C(3)H(7), C(4)H(7), and C(4)H(9) potential energy surfaces to better characterize the radical addition reactions that lead to molecular weight growth. We also extended a published C(6)H(9) PES to include addition of vinyl to butadiene. The results were then used to calculate pressure-dependent rate constants for the multiple reaction pathways of these addition reactions. Inclusion of the unadjusted rate constants resulting from these analyses in the mechanism significantly improved the description of several of the species involved in molecular weight growth kinetics. We compare the predictions of this improved model to those obtained with a consensus model recently published as well as to ethane steam cracking data. We find that a particularly important reaction is that of vinyl addition to butadiene. Another important observation is that several radical addition reactions are partially equilibrated. Not only does this mean that reliable thermodynamic parameters are essential

Sunflower shells utilization for energetic purposes in an integrated approach of energy crops: laboratory study pyrolysis and kinetics.

PubMed

Zabaniotou, A A; Kantarelis, E K; Theodoropoulos, D C

2008-05-01

Sunflower is a traditional crop which can be used for the production of bioenergy and liquid biofuels. A study of the pyrolytic behaviour of sunflower residues at temperatures from 300 to 600 degrees C has been carried out. The experiments were performed in a captive sample reactor under atmospheric pressure and helium as sweeping gas. The yields of the derived pyrolysis products were determined in relation to temperature, with constant sweeping gas flow of 50 cm3 min(-1) and heating rate of 40 degrees Cs(-1). The maximum gas yield of around 53 wt.% was obtained at 500 degrees C, whereas maximum oil yield of about 21 wt.% was obtained at 400 degrees C. A simple first order kinetic model has been applied for the devolatilization of biomass. Kinetic constants have been estimated: E=78.15 kJ mol(-1); k(0)=1.03 x 10(3)s(-1).

Long-term competition between sulfate reducing and methanogenic bacteria in UASB reactors treating volatile fatty acids.

PubMed

Omil, F; Lens, P; Visser, A; Hulshoff Pol, L W; Lettinga, G

1998-03-20

The competition between acetate utilizing methane-producing bacteria (MB) and sulfate-reducing bacteria (SRB) was studied in mesophilic (30 degrees C) upflow anaerobic sludge bed (UASB) reactors (upward velocity 1 m h-1; pH 8) treating volatile fatty acids and sulfate. The UASB reactors treated a VFA mixture (with an acetate:propionate:butyrate ratio of 5:3:2 on COD basis) or acetate as the sole substrate at different COD:sulfate ratios. The outcome of the competition was evaluated in terms of conversion rates and specific methanogenic and sulfidogenic activities. The COD:sulfate ratio was a key factor in the partitioning of acetate utilization between MB and SRB. In excess of sulfate (COD:sulfate ratio lower than 0.67), SRB became predominant over MB after prolonged reactor operation: 250 and 400 days were required to increase the amount of acetate used by SRB from 50 to 90% in the reactor treating, respectively, the VFA mixture or acetate as the sole substrate. The competition for acetate was further studied by dynamic simulations using a mathematical model based on the Monod kinetic parameters of acetate utilizing SRB and MB. The simulations confirmed the long term nature of the competition between these acetotrophs. A high reactor pH (+/-8), a short solid retention time (<150 days), and the presence of a substantial SRB population in the inoculum may considerably reduce the time required for acetate-utilising SRB to outcompete MB. Copyright 1998 John Wiley & Sons, Inc.

Treatment of winery wastewater by an anaerobic sequencing batch reactor.

PubMed

Ruíz, C; Torrijos, M; Sousbie, P; Lebrato Martínez, J; Moletta, R; Delgenès, J P

2002-01-01

Treatment of winery wastewater was investigated using an anaerobic sequencing batch reactor (ASBR). Biogas production rate was monitored and permitted the automation of the bioreactor by a simple control system. The reactor was operated at an organic loading rate (ORL) around 8.6 gCOD/L.d with soluble chemical oxygen demand (COD) removal efficiency greater than 98%, hydraulic retention time (HRT) of 2.2 d and a specific organic loading rate (SOLR) of 0.96 gCOD/gVSS.d. The kinetics of COD and VFA removal were investigated for winery wastewater and for simple compounds such as ethanol, which is a major component of winery effluent, and acetate, which is the main volatile fatty acid (VFA) produced. The comparison of the profiles obtained with the 3 substrates shows that, overall, the acidification of the organic matter and the methanisation of the VFA follow zero order reactions, in the operating conditions of our study. The effect on the gas production rate resulted in two level periods separated by a sharp break when the acidification stage was finished and only the breaking down of the VFA continued.

Application of a Virtual Reactivity Feedback Control Loop in Non-Nuclear Testing of a Fast Spectrum Reactor

NASA Technical Reports Server (NTRS)

Bragg-Sitton, Shannon M.; Forsbacka, Matthew

2004-01-01

For a compact, fast-spectrum reactor, reactivity feedback is dominated by core deformation at elevated temperature. Given the use of accurate deformation measurement techniques, it is possible to simulate nuclear feedback in non-nuclear electrically heated reactor tests. Implementation of simulated reactivity feedback in response to measured deflection is being tested at the NASA Marshall Space Flight Center Early Flight Fission Test Facility (EFF-TF). During tests of the SAFE-100 reactor prototype, core deflection was monitored using a high resolution camera. "virtual" reactivity feedback was accomplished by applying the results of Monte Carlo calculations (MCNPX) to core deflection measurements; the computational analysis was used to establish the reactivity worth of van'ous core deformations. The power delivered to the SAFE-100 prototype was then dusted accordingly via kinetics calculations, The work presented in this paper will demonstrate virtual reactivity feedback as core power was increased from 1 kilowatt(sub t), to 10 kilowatts(sub t), held approximately constant at 10 kilowatts (sub t), and then allowed to decrease based on the negative thermal reactivity coefficient.

Kinetics of Methylmercury Production Revisited

DOE PAGES

Olsen, Todd A.; Muller, Katherine A.; Painter, Scott L.; ...

2018-01-27

Laboratory measurements of the biologically mediated methylation of mercury (Hg) to the neurotoxin monomethylmercury (MMHg) often exhibit kinetics that are inconsistent with first-order kinetic models. Using time-resolved measurements of filter passing Hg and MMHg during methylation/demethylation assays, a multisite kinetic sorption model, and reanalyses of previous assays, we show in this paper that competing kinetic sorption reactions can lead to time-varying availability and apparent non-first-order kinetics in Hg methylation and MMHg demethylation. The new model employing a multisite kinetic sorption model for Hg and MMHg can describe the range of behaviors for time-resolved methylation/demethylation data reported in the literature includingmore » those that exhibit non-first-order kinetics. Additionally, we show that neglecting competing sorption processes can confound analyses of methylation/demethylation assays, resulting in rate constant estimates that are systematically biased low. Finally, simulations of MMHg production and transport in a hypothetical periphyton biofilm bed illustrate the implications of our new model and demonstrate that methylmercury production may be significantly different than projected by single-rate first-order models.« less

Different enzyme kinetic models.

PubMed

Seibert, Eleanore; Tracy, Timothy S

2014-01-01

As described in Chapter 2 , a large number of enzymatic reactions can be adequately described by Michaelis-Menten kinetics. The Michaelis-Menten equation represents a rectangular hyperbola, with a y-asymptote at the V max value. In many cases, more complex kinetic models are required to explain the observed data. Atypical kinetic profiles are believed to arise from the simultaneous binding of multiple molecules within the active site of the enzyme (Tracy and Hummel, Drug Metab Rev 36:231-242, 2004). Several cytochromes P450 have large active sites that enable binding of multiple molecules (Wester et al. J Biol Chem 279:35630-35637, 2004; Yano et al. J Biol Chem 279:38091-38094, 2004). Thus, atypical kinetics are not uncommon in in vitro drug metabolism studies. This chapter covers enzyme kinetic reactions in which a single enzyme has multiple binding sites for substrates and/or inhibitors as well as reactions catalyzed by multiple enzymes.

Recycling of hazardous solid waste material using high-temperature solar process heat. 2. Reactor design and experimentation.

PubMed

Schaffner, Beatrice; Meier, Anton; Wuillemin, Daniel; Hoffelner, Wolfgang; Steinfeld, Aldo

2003-01-01

A novel high-temperature solar chemical reactor is proposed for the thermal recycling of hazardous solid waste material using concentrated solar power. It features two cavities in series, with the inner one functioning as the solar absorber and the outer one functioning as the reaction chamber. The solar reactor can handle thermochemical processes at temperatures above 1,300 K involving multiphases and controlled atmospheres. It further allows for batch or continuous mode of operation and for easy adjustment of the residence time of the reactants to match the kinetics of the reaction. A 10-kW solar reactor prototype was designed and tested for the carbothermic reduction of electric arc furnace dusts (EAFD). The reactor was subjected to mean solar flux intensities of 2,000 kW m(-2) and operated in both batch and continuous mode within the temperature range of 1,120-1,400 K. Extraction of over 90% of the toxic compounds originally contained in the EAFD was achieved while the condensable products of the off-gas contained mainly Zn, Pb, and Cl. The use of concentrated solar energy as the source of process heat offers the possibility of converting hazardous solid waste material into valuable commodities for processes in closed and sustainable material cycles.

LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 3: Illustrative test problems

NASA Technical Reports Server (NTRS)

Bittker, David A.; Radhakrishnan, Krishnan

1994-01-01

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 3 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 3 explains the kinetics and kinetics-plus-sensitivity analysis problems supplied with LSENS and presents sample results. These problems illustrate the various capabilities of, and reaction models that can be solved by, the code and may provide a convenient starting point for the user to construct the problem data file required to execute LSENS. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

NUCLEAR REACTOR

DOEpatents

Treshow, M.

1961-09-01

A boiling-water nuclear reactor is described wherein control is effected by varying the moderator-to-fuel ratio in the reactor core. This is accomplished by providing control tubes containing a liquid control moderator in the reactor core and providing means for varying the amount of control moderatcr within the control tubes.

Analysis of the chemiluminescence from electronically excited lead oxide generated in a flow tube reactor

NASA Astrophysics Data System (ADS)

Dorko, E. A.; Glessner, J. W.; Ritchey, C. M.; Rutger, L. L.; Pow, J. J.; Brasure, L. D.; Duray, J. P.; Snyder, S. R.

1986-03-01

The chemiluminescence from electronically excited lead oxide formed during the reaction between lead vapor and either 3Σ O 2 or 1Δ O 2 has been studied. The reactions were accomplished in a flow tube reactor. A microwave discharge was used to generate 1Δ O 2. The vibronic spectrum was analyzed and the band head assignments were used in a linear least-squares calculation to obtain the vibronic molecular constants for the X, a, b, A, B, C, C', D, and E electronic states of lead oxide. Based on these and other molecular constants, Franck-Condon factors were calculated for the transitions to the ground state and also for the A-a and D-a transitions. Evidence was presented to support a kinetic analysis of the mechanism leading to chemiluminescence under the experimental conditions encountered in the flow tube reactor. Mechanisms presented earlier were verified by the present data.

Synthesis of Geraniol Esters in a Continuous-Flow Packed-Bed Reactor of Immobilized Lipase: Optimization of Process Parameters and Kinetic Modeling.

PubMed

Salvi, Harshada M; Kamble, Manoj P; Yadav, Ganapati D

2018-02-01

With increasing demand for perfumes, flavors, beverages, and pharmaceuticals, the various associated industries are resorting to different approaches to enhance yields of desired compounds. The use of fixed-bed biocatalytic reactors in some of the processes for making fine chemicals will be of great value because the reaction times could be reduced substantially as well as high conversion and yields obtained. In the current study, a continuous-flow packed-bed reactor of immobilized Candida antarctica lipase B (Novozym 435) was employed for synthesis of various geraniol esters. Optimization of process parameters such as biocatalyst screening, effect of solvent, mole ratio, temperature and acyl donors was studied in a continuous-flow packed-bed reactor. Maximum conversion of ~ 87% of geranyl propionate was achieved in 15 min residence time at 70 °C using geraniol and propionic acid with a 1:1 mol ratio. Novozym 435 was found to be the most active and stable biocatalyst among all tested. Ternary complex mechanism with propionic acid inhibition was found to fit the data.

Proposed Advanced Reactor Adaptation of the Standard Review Plan NUREG-0800 Chapter 4 (Reactor) for Sodium-Cooled Fast Reactors and Modular High-Temperature Gas-Cooled Reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belles, Randy; Poore, III, Willis P.; Brown, Nicholas R.

2017-03-01

This report proposes adaptation of the previous regulatory gap analysis in Chapter 4 (Reactor) of NUREG 0800, Standard Review Plan (SRP) for the Review of Safety Analysis Reports for Nuclear Power Plants: LWR [Light Water Reactor] Edition. The proposed adaptation would result in a Chapter 4 review plan applicable to certain advanced reactors. This report addresses two technologies: the sodium-cooled fast reactor (SFR) and the modular high temperature gas-cooled reactor (mHTGR). SRP Chapter 4, which addresses reactor components, was selected for adaptation because of the possible significant differences in advanced non-light water reactor (non-LWR) technologies compared with the current LWR-basedmore » description in Chapter 4. SFR and mHTGR technologies were chosen for this gap analysis because of their diverse designs and the availability of significant historical design detail.« less

Synthesis of Prebiotic Caramels Catalyzed by Ion-Exchange Resin Particles: Kinetic Model for the Formation of Di-d-fructose Dianhydrides.

PubMed

Ortiz Cerda, Imelda-Elizabeth; Thammavong, Phahath; Caqueret, Vincent; Porte, Catherine; Mabille, Isabelle; Garcia Fernandez, José Manuel; Moscosa Santillan, Mario; Havet, Jean-Louis

2018-02-21

Caramel enriched in di-d-fructose dianhydrides (DFAs, a family of prebiotic cyclic fructodisaccharides) is a functional food with beneficial properties for health. The aim of this work was to study the conversion of fructose into DFAs catalyzed by acid ion-exchange resin, in order to establish a simplified mechanism of the caramelization reaction and a kinetic model for DFA formation. Batch reactor experiments were carried out in a 250 mL spherical glass flask and afforded up to 50% DFA yields. The mechanism proposed entails order 2 reactions that describe fructose conversion on DFAs or formation of byproducts such as HMF or melanoidines. A third order 1 reaction defines DFA transformation into fructosyl-DFAs or fructo-oligosaccharides. The influence of fructose concentration, resin loading and temperature was studied to calculate the kinetic parameters necessary to scale up the process.

Pyrolysis characteristics and kinetics of acid tar waste from crude benzol refining: A thermogravimetry-mass spectrometry analysis.

PubMed

Chihobo, Chido H; Chowdhury, Arindrajit; Kuipa, Pardon K; Simbi, David J

2016-12-01

Pyrolysis is an attractive thermochemical conversion technology that may be utilised as a safe disposal option for acid tar waste. The kinetics of acid tar pyrolysis were investigated using thermogravimetry coupled with mass spectrometry under a nitrogen atmosphere at different heating rates of 10, 15 and 20 K min -1 The thermogravimetric analysis shows three major reaction peaks centred around 178 °C, 258 °C, and 336 °C corresponding to the successive degradation of water soluble lower molecular mass sulphonic acids, sulphonated high molecular mass hydrocarbons, and high molecular mass hydrocarbons. The kinetic parameters were evaluated using the iso-conversional Kissinger-Akahira-Sunose method. A variation in the activation energy with conversion revealed that the pyrolysis of the acid tar waste progresses through complex multi-step kinetics. Mass spectrometry results revealed a predominance of gases such as hydrogen, methane and carbon monoxide, implying that the pyrolysis of acid tar waste is potentially an energy source. Thus the pyrolysis of acid tar waste may present a viable option for its environmental treatment. There are however, some limitations imposed by the co-evolution of corrosive gaseous components for which appropriate considerations must be provided in both pyrolysis reactor design and selection of construction materials. © The Author(s) 2016.

An Introductory Level Kinetics Investigation.

ERIC Educational Resources Information Center

McGarvey, J. E. B.; Knipe, A. C.

1980-01-01

Provides a list of the reactions commonly used for introductory kinetics studies. These reactions illustrate the kinetics concepts of rate law, rate constant, and reaction order. Describes a kinetic study of the hydrolysis of 3-bromo-3-phenylpropanoic acid which offers many educational advantages. (CS)

NEUTRONIC REACTOR SYSTEM

DOEpatents

Treshow, M.

1959-02-10

A reactor system incorporating a reactor of the heterogeneous boiling water type is described. The reactor is comprised essentially of a core submerged adwater in the lower half of a pressure vessel and two distribution rings connected to a source of water are disposed within the pressure vessel above the reactor core, the lower distribution ring being submerged adjacent to the uppcr end of the reactor core and the other distribution ring being located adjacent to the top of the pressure vessel. A feed-water control valve, responsive to the steam demand of the load, is provided in the feedwater line to the distribution rings and regulates the amount of feed water flowing to each distribution ring, the proportion of water flowing to the submerged distribution ring being proportional to the steam demand of the load. This invention provides an automatic means exterior to the reactor to control the reactivity of the reactor over relatively long periods of time without relying upon movement of control rods or of other moving parts within the reactor structure.

Investigation into adsorption and photocatalytic degradation of gaseous benzene in an annular fluidized bed photocatalytic reactor.

PubMed

Geng, Qijin; Tang, Shankang; Wang, Lintong; Zhang, Yunchen

2015-01-01

The adsorption and photocatalytic degradation of gaseous benzene were investigated considering the operating variables and kinetic mechanism using nano-titania agglomerates in an annular fluidized bed photocatalytic reactor (AFBPR) designed. The special adsorption equilibrium constant, adsorption active sites, and apparent reaction rate coefficient of benzene were determined by linear regression analysis at various gas velocities and relative humidities (RH). Based on a series of photocatalytic degradation kinetic equations, the influences of operating variables on degradation efficiency, apparent reaction rate coefficient and half-life were explored. The findings indicated that the operating variables have obviously influenced the adsorption/photocatalytic degradation and corresponding kinetic parameters. In the photocatalytic degradation process, the relationship between photocatalytic degradation efficiency and RH indicated that water molecules have a dual-function which was related to the structure characteristics of benzene. The optimal operating conditions for photocatalytic degradation of gaseous benzene in AFBPR were determined as the fluidization number at 1.9 and RH required related to benzene concentration. This investigation highlights the importance of controlling RH and benzene concentration in order to obtain the desired synergy effect in photocatalytic degradation processes.

Reactor safety method

DOEpatents

Vachon, Lawrence J.

1980-03-11

This invention relates to safety means for preventing a gas cooled nuclear reactor from attaining criticality prior to start up in the event the reactor core is immersed in hydrogenous liquid. This is accomplished by coating the inside surface of the reactor coolant channels with a neutral absorbing material that will vaporize at the reactor's operating temperature.

Nuclear reactor neutron shielding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Speaker, Daniel P; Neeley, Gary W; Inman, James B

A nuclear reactor includes a reactor pressure vessel and a nuclear reactor core comprising fissile material disposed in a lower portion of the reactor pressure vessel. The lower portion of the reactor pressure vessel is disposed in a reactor cavity. An annular neutron stop is located at an elevation above the uppermost elevation of the nuclear reactor core. The annular neutron stop comprises neutron absorbing material filling an annular gap between the reactor pressure vessel and the wall of the reactor cavity. The annular neutron stop may comprise an outer neutron stop ring attached to the wall of the reactormore » cavity, and an inner neutron stop ring attached to the reactor pressure vessel. An excore instrument guide tube penetrates through the annular neutron stop, and a neutron plug comprising neutron absorbing material is disposed in the tube at the penetration through the neutron stop.« less

Spinning fluids reactor

DOEpatents

Miller, Jan D; Hupka, Jan; Aranowski, Robert

2012-11-20

A spinning fluids reactor, includes a reactor body (24) having a circular cross-section and a fluid contactor screen (26) within the reactor body (24). The fluid contactor screen (26) having a plurality of apertures and a circular cross-section concentric with the reactor body (24) for a length thus forming an inner volume (28) bound by the fluid contactor screen (26) and an outer volume (30) bound by the reactor body (24) and the fluid contactor screen (26). A primary inlet (20) can be operatively connected to the reactor body (24) and can be configured to produce flow-through first spinning flow of a first fluid within the inner volume (28). A secondary inlet (22) can similarly be operatively connected to the reactor body (24) and can be configured to produce a second flow of a second fluid within the outer volume (30) which is optionally spinning.

Thorium fueled reactor

NASA Astrophysics Data System (ADS)

Sipaun, S.

2017-01-01

Current development in thorium fueled reactors shows that they can be designed to operate in the fast or thermal spectrum. The thorium/uranium fuel cycle converts fertile thorium-232 into fissile uranium-233, which fissions and releases energy. This paper analyses the characteristics of thorium fueled reactors and discusses the thermal reactor option. It is found that thorium fuel can be utilized in molten salt reactors through many configurations and designs. A balanced assessment on the feasibility of adopting one reactor technology versus another could lead to optimized benefits of having thorium resource.

Fractal reaction kinetics.

PubMed

Kopelman, R

1988-09-23

Classical reaction kinetics has been found to be unsatisfactory when the reactants are spatially constrained on the microscopic level by either walls, phase boundaries, or force fields. Recently discovered theories of heterogeneous reaction kinetics have dramatic consequences, such as fractal orders for elementary reactions, self-ordering and self-unmixing of reactants, and rate coefficients with temporal "memories." The new theories were needed to explain the results of experiments and supercomputer simulations of reactions that were confined to low dimensions or fractal dimensions or both. Among the practical examples of "fractal-like kinetics" are chemical reactions in pores of membranes, excitation trapping in molecular aggregates, exciton fusion in composite materials, and charge recombination in colloids and clouds.

Muscular Oxygen Uptake Kinetics in Aged Adults.

PubMed

Koschate, J; Drescher, U; Baum, K; Eichberg, S; Schiffer, T; Latsch, J; Brixius, K; Hoffmann, U

2016-06-01

Pulmonary oxygen uptake (V˙O2) kinetics and heart rate kinetics are influenced by age and fitness. Muscular V˙O2 kinetics can be estimated from heart rate and pulmonary V˙O2. In this study the applicability of a test using pseudo-random binary sequences in combination with a model to estimate muscular V˙O2 kinetics was tested. Muscular V˙O2 kinetics were expected to be faster than pulmonary V˙O2 kinetics, slowed in aged subjects and correlated with maximum V˙O2 and heart rate kinetics. 27 elderly subjects (73±3 years; 81.1±8.2 kg; 175±4.7 cm) participated. Cardiorespiratory kinetics were assessed using the maximum of cross-correlation functions, higher maxima implying faster kinetics. Muscular V˙O2 kinetics were faster than pulmonary V˙O2 kinetics (0.31±0.1 vs. 0.29±0.1 s; p=0.004). Heart rate kinetics were not correlated with muscular or pulmonary V˙O2 kinetics or maximum V˙O2. Muscular V˙O2 kinetics correlated with maximum V˙O2 (r=0.35; p=0.033). This suggests, that muscular V˙O2 kinetics are faster than estimates from pulmonary V˙O2 and related to maximum V˙O2 in aged subjects. In the future this experimental approach may help to characterize alterations in muscular V˙O2 under various conditions independent of motivation and maximal effort. © Georg Thieme Verlag KG Stuttgart · New York.

Kinetic Damage from Meteorites

NASA Technical Reports Server (NTRS)

Cooke, William; Brown, Peter; Matney, Mark

2017-01-01

A Near Earth object impacting into Earth's atmosphere may produce damaging effects at the surface due to airblast, thermal pulse, or kinetic impact in the form of meteorites. At large sizes (>many tens of meters), the damage is amplified by the hypersonic impact of these large projectiles moving with cosmic velocity, leaving explosively produced craters. However, much more common is simple "kinetic" damage caused by the impact of smaller meteorites moving at terminal speeds. As of this date a handful of instances are definitively known of people or structures being directly hit and/or damaged by the kinetic impact of meteorites. Meteorites known to have struck humans include the Sylacauga, Alabama fall (1954) and the Mbale meteorite fall (1992). Much more common is kinetic meteorite damage to cars, buildings, and even a post box (Claxton, Georgia - 1984). Historical accounts indicate that direct kinetic damage by meteorites may be more common than recent accounts suggest (Yau et al., 1994). In this talk we will examine the contemporary meteorite flux and estimate the frequency of kinetic damage to various structures, as well as how the meteorite flux might affect the rate of human casualties. This will update an earlier study by Halliday et al (1985), adding variations expected in meteorite flux with latitude (Le Feuvre and Wieczorek, 2008) and validating these model predictions of speed and entry angle with observations from the NASA and SOMN fireball networks. In particular, we explore the physical characteristics of bright meteors which may be used as a diagnostic for estimating which fireballs produce meteorites and hence how early warning of such kinetic damage may be estimated in advance through observations and modelling.

Kinetic Damage from Meteorites

NASA Technical Reports Server (NTRS)

Cooke, William; Brown, Peter; Matney, Mark

2017-01-01

A Near Earth object impacting into Earth's atmosphere may produce damaging effects at the surface due to airblast, thermal pulse, or kinetic impact in the form of meteorites. At large sizes (greater than many tens of meters), the damage is amplified by the hypersonic impact of these large projectiles moving with cosmic velocity, leaving explosively produced craters. However, much more common is simple "kinetic" damage caused by the impact of smaller meteorites moving at terminal speeds. As of this date a handful of instances are definitively known of people or structures being directly hit and/or damaged by the kinetic impact of meteorites. Meteorites known to have struck humans include the Sylacauga, Alabama fall (1954) and the Mbale meteorite fall (1992). Much more common is kinetic meteorite damage to cars, buildings, and even a post box (Claxton, Georgia - 1984). Historical accounts indicate that direct kinetic damage by meteorites may be more common than recent accounts suggest (Yau et al., 1994). In this talk we will examine the contemporary meteorite flux and estimate the frequency of kinetic damage to various structures, as well as how the meteorite flux might affect the rate of human casualties. This will update an earlier study by Halliday et al (1985), adding variations expected in meteorite flux with latitude (Le Feuvre and Wieczorek, 2008) and validating these model predictions of speed and entry angle with observations from the NASA and SOMN fireball networks. In particular, we explore the physical characteristics of bright meteors which may be used as a diagnostic for estimating which fireballs produce meteorites and hence how early warning of such kinetic damage may be estimated in advance through observations and modeling.

Kinetic modelling of ascorbic and dehydroascorbic acids concentrations in a model solution at different temperatures and oxygen contents.

PubMed

Gómez Ruiz, Braulio; Roux, Stéphanie; Courtois, Francis; Bonazzi, Catherine

2018-04-01

The degradation kinetics of vitamin C (ascorbic and dehydroascorbic acids, AA and DHA) were determined under controlled conditions of temperature (50-90 °C) and oxygen concentrations in the gas phase (10-30% mol/mol) using a specific reactor. The degradation of vitamin C in malate buffer (20 mM, pH 3.8), mimetic of an apple puree, was assessed by sampling at regular intervals and spectrophotometric quantification of AA and DHA levels at 243 nm. The results showed that AA degradation increased with temperature and oxygen concentration, while DHA exhibited the behaviour of an intermediate species, appearing then disappearing. A kinetic model was successfully developed to simulate the experimental data by two first order consecutive reactions. The first one represented AA degradation as a function of temperature and concentration in dissolved oxygen, and the second reflected DHA degradation as a function of temperature only, both adequately following Arrhenius' law. Copyright © 2018 Elsevier Ltd. All rights reserved.

Surface-catalyzed air oxidation reactions of hydrazines: Tubular reactor studies

NASA Technical Reports Server (NTRS)

Kilduff, Jan E.; Davis, Dennis D.; Koontz, Steven L.

1988-01-01

The surface-catalyzed air oxidation reactions of hydrazine, monomethylhydrazine, unsymmetrical dimethylhydrazine, symmetrical dimethylhydrazine, trimethylhydrazine and tetramethylhydrazine were investigated in a metal-powder packed turbular flow reactor at 55 plus or minus 3 C. Hydrazine was completely reacted on all surfaces studied. The major products of monomethylhydrazine (MMH) oxidation were methanol, methane and methyldiazene. The di-, tri- and tetra-methyl hydrazines were essentially unreactive under these conditions. The relative catalytic reactivities toward MMH are: Fe greater than Al2O3 greater than Ti greater than Zn greater than 316 SS greater than Cr greater than Ni greater than Al greater than 304L SS. A kinetic scheme and mechanism involving adsorption, oxidative dehydrogenation and reductive elimination reactions on a metal oxide surface are proposed.

Request for Naval Reactors Comment on Proposed Prometheus Space Flight Nuclear Reactor High Tier Reactor Safety Requirements and for Naval Reactors Approval to Transmit These Requirements to JPL

DOE Office of Scientific and Technical Information (OSTI.GOV)

D. Kokkinos

2005-04-28

The purpose of this letter is to request Naval Reactors comments on the nuclear reactor high tier requirements for the PROMETHEUS space flight reactor design, pre-launch operations, launch, ascent, operation, and disposal, and to request Naval Reactors approval to transmit these requirements to Jet Propulsion Laboratory to ensure consistency between the reactor safety requirements and the spacecraft safety requirements. The proposed PROMETHEUS nuclear reactor high tier safety requirements are consistent with the long standing safety culture of the Naval Reactors Program and its commitment to protecting the health and safety of the public and the environment. In addition, the philosophymore » on which these requirements are based is consistent with the Nuclear Safety Policy Working Group recommendations on space nuclear propulsion safety (Reference 1), DOE Nuclear Safety Criteria and Specifications for Space Nuclear Reactors (Reference 2), the Nuclear Space Power Safety and Facility Guidelines Study of the Applied Physics Laboratory.« less

Thermos reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Labrousse, M.; Lerouge, B.; Dupuy, G.

1978-04-01

THERMOS is a water reactor designed to provide hot water up to 120/sup 0/C for district heating or for desalination applications. It is a 100-MW reactor based on proven technology: oxide fuel plate elements, integrated primary circuit, and reactor vessel located in the bottom of a pool. As in swimming pool reactors, the pool is used for biological shielding, emergency core cooling, and fission product filtering (in case of an accident). Before economics, safety is the main characteristic of the concept: no fuel failure admitted, core under water in any accidental configuration, inspection of every ''nuclear'' component, and double-wall containment.

NEUTRONIC REACTOR

DOEpatents

Daniels, F.

1959-10-27

A reactor in which at least a portion of the moderator is in the form of movable refractory balls is described. In addition to their moderating capacity, these balls may serve as carriers for fissionable material or fertile material, or may serve in a coolant capacity to remove heat from the reactor. A pneumatic system is used to circulate the balls through the reactor.

Kinetic corrections from analytic non-Maxwellian distribution functions in magnetized plasmas

NASA Astrophysics Data System (ADS)

Izacard, Olivier

2016-08-01

In magnetized plasma physics, almost all developed analytic theories assume a Maxwellian distribution function (MDF) and in some cases small deviations are described using the perturbation theory. The deviations with respect to the Maxwellian equilibrium, called kinetic effects, are required to be taken into account especially for fusion reactor plasmas. Generally, because the perturbation theory is not consistent with observed steady-state non-Maxwellians, these kinetic effects are numerically evaluated by very central processing unit (CPU)-expensive codes, avoiding the analytic complexity of velocity phase space integrals. We develop here a new method based on analytic non-Maxwellian distribution functions constructed from non-orthogonal basis sets in order to (i) use as few parameters as possible, (ii) increase the efficiency to model numerical and experimental non-Maxwellians, (iii) help to understand unsolved problems such as diagnostics discrepancies from the physical interpretation of the parameters, and (iv) obtain analytic corrections due to kinetic effects given by a small number of terms and removing the numerical error of the evaluation of velocity phase space integrals. This work does not attempt to derive new physical effects even if it could be possible to discover one from the better understandings of some unsolved problems, but here we focus on the analytic prediction of kinetic corrections from analytic non-Maxwellians. As applications, examples of analytic kinetic corrections are shown for the secondary electron emission, the Langmuir probe characteristic curve, and the entropy. This is done by using three analytic representations of the distribution function: the Kappa distribution function, the bi-modal or a new interpreted non-Maxwellian distribution function (INMDF). The existence of INMDFs is proved by new understandings of the experimental discrepancy of the measured electron temperature between two diagnostics in JET. As main results, it

Kinetic corrections from analytic non-Maxwellian distribution functions in magnetized plasmas

DOE PAGES

Izacard, Olivier

2016-08-02

In magnetized plasma physics, almost all developed analytic theories assume a Maxwellian distribution function (MDF) and in some cases small deviations are described using the perturbation theory. The deviations with respect to the Maxwellian equilibrium, called kinetic effects, are required to be taken into account especially for fusion reactor plasmas. Generally, because the perturbation theory is not consistent with observed steady-state non-Maxwellians, these kinetic effects are numerically evaluated by very central processing unit (CPU)-expensive codes, avoiding the analytic complexity of velocity phase space integrals. We develop here a new method based on analytic non-Maxwellian distribution functions constructed from non-orthogonal basismore » sets in order to (i) use as few parameters as possible, (ii) increase the efficiency to model numerical and experimental non-Maxwellians, (iii) help to understand unsolved problems such as diagnostics discrepancies from the physical interpretation of the parameters, and (iv) obtain analytic corrections due to kinetic effects given by a small number of terms and removing the numerical error of the evaluation of velocity phase space integrals. This work does not attempt to derive new physical effects even if it could be possible to discover one from the better understandings of some unsolved problems, but here we focus on the analytic prediction of kinetic corrections from analytic non-Maxwellians. As applications, examples of analytic kinetic corrections are shown for the secondary electron emission, the Langmuir probe characteristic curve, and the entropy. This is done by using three analytic representations of the distribution function: the Kappa distribution function, the bi-modal or a new interpreted non-Maxwellian distribution function (INMDF). The existence of INMDFs is proved by new understandings of the experimental discrepancy of the measured electron temperature between two diagnostics in JET. As main

Kinetic corrections from analytic non-Maxwellian distribution functions in magnetized plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Izacard, Olivier, E-mail: izacard@llnl.gov

In magnetized plasma physics, almost all developed analytic theories assume a Maxwellian distribution function (MDF) and in some cases small deviations are described using the perturbation theory. The deviations with respect to the Maxwellian equilibrium, called kinetic effects, are required to be taken into account especially for fusion reactor plasmas. Generally, because the perturbation theory is not consistent with observed steady-state non-Maxwellians, these kinetic effects are numerically evaluated by very central processing unit (CPU)-expensive codes, avoiding the analytic complexity of velocity phase space integrals. We develop here a new method based on analytic non-Maxwellian distribution functions constructed from non-orthogonal basismore » sets in order to (i) use as few parameters as possible, (ii) increase the efficiency to model numerical and experimental non-Maxwellians, (iii) help to understand unsolved problems such as diagnostics discrepancies from the physical interpretation of the parameters, and (iv) obtain analytic corrections due to kinetic effects given by a small number of terms and removing the numerical error of the evaluation of velocity phase space integrals. This work does not attempt to derive new physical effects even if it could be possible to discover one from the better understandings of some unsolved problems, but here we focus on the analytic prediction of kinetic corrections from analytic non-Maxwellians. As applications, examples of analytic kinetic corrections are shown for the secondary electron emission, the Langmuir probe characteristic curve, and the entropy. This is done by using three analytic representations of the distribution function: the Kappa distribution function, the bi-modal or a new interpreted non-Maxwellian distribution function (INMDF). The existence of INMDFs is proved by new understandings of the experimental discrepancy of the measured electron temperature between two diagnostics in JET. As main

Modeling phosphorus removal and recovery from anaerobic digester supernatant through struvite crystallization in a fluidized bed reactor.

PubMed

Rahaman, Md Saifur; Mavinic, Donald S; Meikleham, Alexandra; Ellis, Naoko

2014-03-15

The cost associated with the disposal of phosphate-rich sludge, the stringent regulations to limit phosphate discharge into aquatic environments, and resource shortages resulting from limited phosphorus rock reserves, have diverted attention to phosphorus recovery in the form of struvite (MAP: MgNH4PO4·6H2O) crystals, which can essentially be used as a slow release fertilizer. Fluidized-bed crystallization is one of the most efficient unit processes used in struvite crystallization from wastewater. In this study, a comprehensive mathematical model, incorporating solution thermodynamics, struvite precipitation kinetics and reactor hydrodynamics, was developed to illustrate phosphorus depletion through struvite crystal growth in a continuous, fluidized-bed crystallizer. A thermodynamic equilibrium model for struvite precipitation was linked to the fluidized-bed reactor model. While the equilibrium model provided information on supersaturation generation, the reactor model captured the dynamic behavior of the crystal growth processes, as well as the effect of the reactor hydrodynamics on the overall process performance. The model was then used for performance evaluation of the reactor, in terms of removal efficiencies of struvite constituent species (Mg, NH4 and PO4), and the average product crystal sizes. The model also determined the variation of species concentration of struvite within the crystal bed height. The species concentrations at two extreme ends (inlet and outlet) were used to evaluate the reactor performance. The model predictions provided a reasonably good fit with the experimental results for PO4-P, NH4-N and Mg removals. Predicated average crystal sizes also matched fairly well with the experimental observations. Therefore, this model can be used as a tool for performance evaluation and process optimization of struvite crystallization in a fluidized-bed reactor. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

Local reaction kinetics by imaging☆

PubMed Central

Suchorski, Yuri; Rupprechter, Günther

2016-01-01

In the present contribution we present an overview of our recent studies using the “kinetics by imaging” approach for CO oxidation on heterogeneous model systems. The method is based on the correlation of the PEEM image intensity with catalytic activity: scaled down to the μm-sized surface regions, such correlation allows simultaneous local kinetic measurements on differently oriented individual domains of a polycrystalline metal-foil, including the construction of local kinetic phase diagrams. This allows spatially- and component-resolved kinetic studies and, e.g., a direct comparison of inherent catalytic properties of Pt(hkl)- and Pd(hkl)-domains or supported μm-sized Pd-powder agglomerates, studies of the local catalytic ignition and the role of defects and grain boundaries in the local reaction kinetics. PMID:26865736

Model-based analysis of coupled equilibrium-kinetic processes: indirect kinetic studies of thermodynamic parameters using the dynamic data.

PubMed

Emami, Fereshteh; Maeder, Marcel; Abdollahi, Hamid

2015-05-07

Thermodynamic studies of equilibrium chemical reactions linked with kinetic procedures are mostly impossible by traditional approaches. In this work, the new concept of generalized kinetic study of thermodynamic parameters is introduced for dynamic data. The examples of equilibria intertwined with kinetic chemical mechanisms include molecular charge transfer complex formation reactions, pH-dependent degradation of chemical compounds and tautomerization kinetics in micellar solutions. Model-based global analysis with the possibility of calculating and embedding the equilibrium and kinetic parameters into the fitting algorithm has allowed the complete analysis of the complex reaction mechanisms. After the fitting process, the optimal equilibrium and kinetic parameters together with an estimate of their standard deviations have been obtained. This work opens up a promising new avenue for obtaining equilibrium constants through the kinetic data analysis for the kinetic reactions that involve equilibrium processes.

Bio-reduction of N-nitrosodimethylamine (NDMA) using a hydrogen-based membrane biofilm reactor.

PubMed

Chung, Jinwook; Ahn, Chang-Hoon; Chen, Zhuo; Rittmann, Bruce E

2008-01-01

N-Nitrosodimethylamine (NDMA) is a disinfection by-product shown to be carcinogenic, mutagenic, and teratogenic. A feasible detoxification pathway for NDMA is a three-step bio-reduction that leads to ammonia and dimethylamine. This study examines the bio-reduction of NDMA in a H2-based membrane biofilm reactor (MBfR) that also is active in nitrate and sulfate reductions. In particular, the study investigates the effects of H2 availability and the relative loadings of NDMA, nitrate, and sulfate, which potentially are competing electron acceptors. The results demonstrate that NDMA was bio-reduced to a major extent (i.e., at least 96%) in a H2-based MBfR in which the electron-equivalent fluxes from H2 oxidation were dominated by nitrate and sulfate reductions. NDMA reduction kinetics responded to NDMA concentration, H2 pressure, and the presence of competing acceptors. The most important factor controlling NDMA-reduction kinetics was the H2 availability, controlled primarily by the H2 pressure, and secondarily by competition from nitrate reduction.

Electrons to Reactors Multiscale Modeling: Catalytic CO Oxidation over RuO 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sutton, Jonathan E.; Lorenzi, Juan M.; Krogel, Jaron T.

First-principles kinetic Monte Carlo (1p-kMC) simulations for CO oxidation on two RuO 2 facets, RuO 2(110) and RuO 2(111), were coupled to the computational fluid dynamics (CFD) simulations package MFIX, and reactor-scale simulations were then performed. 1p-kMC coupled with CFD has recently been shown as a feasible method for translating molecular scale mechanistic knowledge to the reactor scale, enabling comparisons to in situ and online experimental measurements. Only a few studies with such coupling have been published. This work incorporates multiple catalytic surface facets into the scale-coupled simulation, and three possibilities were investigated: the two possibilities of each facet individuallymore » being the dominant phase in the reactor, and also the possibility that both facets were present on the catalyst particles in the ratio predicted by an ab initio thermodynamics-based Wulff construction. When lateral interactions between adsorbates were included in the 1p-kMC simulations, the two surfaces, RuO 2(110) and RuO 2(111), were found to be of similar order-of-magnitude in activity for the pressure range of 1 × 10 –4 bar to 1 bar, with the RuO 2(110) surface-termination showing more simulated activity than the RuO 2(111) surface-termination. Coupling between the 1p-kMC and CFD was achieved with a lookup table generated by the error-based modified Shepard interpolation scheme. Isothermal reactor scale simulations were performed and compared to two separate experimental studies, conducted with reactant partial pressures of ≤0.1 bar. Simulations without an isothermality restriction were also conducted and showed that the simulated temperature gradient across the catalytic reactor bed is <0.5 K, which validated the use of the isothermality restriction for investigating the reactor-scale phenomenological temperature dependences. The approach with the Wulff construction based reactor simulations reproduced a trend similar to one experimental data set

Electrons to Reactors Multiscale Modeling: Catalytic CO Oxidation over RuO 2

DOE PAGES

Sutton, Jonathan E.; Lorenzi, Juan M.; Krogel, Jaron T.; ...

2018-04-20

First-principles kinetic Monte Carlo (1p-kMC) simulations for CO oxidation on two RuO 2 facets, RuO 2(110) and RuO 2(111), were coupled to the computational fluid dynamics (CFD) simulations package MFIX, and reactor-scale simulations were then performed. 1p-kMC coupled with CFD has recently been shown as a feasible method for translating molecular scale mechanistic knowledge to the reactor scale, enabling comparisons to in situ and online experimental measurements. Only a few studies with such coupling have been published. This work incorporates multiple catalytic surface facets into the scale-coupled simulation, and three possibilities were investigated: the two possibilities of each facet individuallymore » being the dominant phase in the reactor, and also the possibility that both facets were present on the catalyst particles in the ratio predicted by an ab initio thermodynamics-based Wulff construction. When lateral interactions between adsorbates were included in the 1p-kMC simulations, the two surfaces, RuO 2(110) and RuO 2(111), were found to be of similar order-of-magnitude in activity for the pressure range of 1 × 10 –4 bar to 1 bar, with the RuO 2(110) surface-termination showing more simulated activity than the RuO 2(111) surface-termination. Coupling between the 1p-kMC and CFD was achieved with a lookup table generated by the error-based modified Shepard interpolation scheme. Isothermal reactor scale simulations were performed and compared to two separate experimental studies, conducted with reactant partial pressures of ≤0.1 bar. Simulations without an isothermality restriction were also conducted and showed that the simulated temperature gradient across the catalytic reactor bed is <0.5 K, which validated the use of the isothermality restriction for investigating the reactor-scale phenomenological temperature dependences. The approach with the Wulff construction based reactor simulations reproduced a trend similar to one experimental data set

Control Means for Reactor

DOEpatents

Manley, J. H.

1961-06-27

An apparatus for controlling a nuclear reactor includes a tank just below the reactor, tubes extending from the tank into the reactor, and a thermally expansible liquid neutron absorbent material in the tank. The liquid in the tank is exposed to a beam of neutrons from the reactor which heats the liquid causing it to expand into the reactor when the neutron flux in the reactor rises above a predetermincd danger point. Boron triamine may be used for this purpose.

Pyrite oxidation in the presence of hematite and alumina: I. Batch leaching experiments and kinetic modeling calculations.

PubMed

Tabelin, Carlito Baltazar; Veerawattananun, Suchol; Ito, Mayumi; Hiroyoshi, Naoki; Igarashi, Toshifumi

2017-02-15

Pyrite is one of the most common and geochemically important sulfide minerals in nature because of its role in the redox recycling of iron (Fe). It is also the primary cause of acid mine drainage (AMD) that is considered as a serious and widespread problem facing the mining and mineral processing industries. In the environment, pyrite oxidation occurs in the presence of ubiquitous metal oxides, but the roles that they play in this process remain largely unknown. This study evaluates the effects of hematite (α-Fe 2 O 3 ) and alumina (α-Al 2 O 3 ) on pyrite oxidation by batch-reactor type experiments, surface-sensitive characterization of the oxidation layer and thermodynamic/kinetic modeling calculations. In the presence of hematite, dissolved sulfur (S) concentration dramatically decreased independent of the pH, and the formation of intermediate sulfoxy anionic species on the surface of pyrite was retarded. These results indicate that hematite minimized the overall extent of pyrite oxidation, but the kinetic model could not explain how this suppression occurred. In contrast, pyrite oxidation was enhanced in the alumina suspension as suggested by the higher dissolved S concentration and stronger infrared (IR) absorption bands of surface-bound oxidation products. Based on the kinetic model, alumina enhanced the oxidative dissolution of pyrite because of its strong acid buffering capacity, which increased the suspension pH. The higher pH values increased the oxidation of Fe 2+ to Fe 3+ by dissolved O 2 (DO) that enhanced the overall oxidative dissolution kinetics of pyrite. Copyright © 2016 Elsevier B.V. All rights reserved.

REACTOR PHYSICS MODELING OF SPENT RESEARCH REACTOR FUEL FOR TECHNICAL NUCLEAR FORENSICS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nichols, T.; Beals, D.; Sternat, M.

2011-07-18

Technical nuclear forensics (TNF) refers to the collection, analysis and evaluation of pre- and post-detonation radiological or nuclear materials, devices, and/or debris. TNF is an integral component, complementing traditional forensics and investigative work, to help enable the attribution of discovered radiological or nuclear material. Research is needed to improve the capabilities of TNF. One research area of interest is determining the isotopic signatures of research reactors. Research reactors are a potential source of both radiological and nuclear material. Research reactors are often the least safeguarded type of reactor; they vary greatly in size, fuel type, enrichment, power, and burn-up. Manymore » research reactors are fueled with highly-enriched uranium (HEU), up to {approx}93% {sup 235}U, which could potentially be used as weapons material. All of them have significant amounts of radiological material with which a radioactive dispersal device (RDD) could be built. Therefore, the ability to attribute if material originated from or was produced in a specific research reactor is an important tool in providing for the security of the United States. Currently there are approximately 237 operating research reactors worldwide, another 12 are in temporary shutdown and 224 research reactors are reported as shut down. Little is currently known about the isotopic signatures of spent research reactor fuel. An effort is underway at Savannah River National Laboratory (SRNL) to analyze spent research reactor fuel to determine these signatures. Computer models, using reactor physics codes, are being compared to the measured analytes in the spent fuel. This allows for improving the reactor physics codes in modeling research reactors for the purpose of nuclear forensics. Currently the Oak Ridge Research reactor (ORR) is being modeled and fuel samples are being analyzed for comparison. Samples of an ORR spent fuel assembly were taken by SRNL for analytical and

Oxidation kinetics of model compounds of metabolic waste in supercritical water

NASA Technical Reports Server (NTRS)

Webley, Paul A.; Holgate, Henry R.; Stevenson, David M.; Tester, Jefferson W.

1990-01-01

In this NASA-funded study, the oxidation kinetics of methanol and ammonia in supercritical water have been experimentally determined in an isothermal plug flow reactor. Theoretical studies have also been carried out to characterize key reaction pathways. Methanol oxidation rates were found to be proportional to the first power of methanol concentration and independent of oxygen concentration and were highly activated with an activation energy of approximately 98 kcal/mole over the temperature range 480 to 540 C at 246 bar. The oxidation of ammonia was found to be catalytic with an activation energy of 38 kcal/mole over temperatures ranging from 640 to 700 C. An elementary reaction model for methanol oxidation was applied after correction for the effect of high pressure on the rate constants. The conversion of methanol predicted by the model was in good agreement with experimental data.

Chemical kinetics as a contract sport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolb, C.E.

1990-01-01

Earlier in this century chemical kinetics was a basic physical chemistry research topic widely pursued in leading academic chemistry departments. Chemical kinetics now appears to be a discipline practiced chiefly for its applications to societal problems. The chemical kinetics activities directed by D.M. Golden at SRI International are strikingly successful in generating data for key applied problems while at the same time advancing our understanding of chemical kinetics as a scientific discipline. In this talk, the author will contrast the chemical kinetics activities in two contract R D laboratories, one on the right side of the U.S. (ARI) and themore » other on the left (SRI). Their approach to common applied problems ranging from stratospheric heterogeneous kinetics to plasma etching systems for semiconductor processing will be compared and contrasted. Empirically discovered Golden Rules for the pursuit of quality chemical kinetics research in a contract R D environment will be presented and discussed.« less

Thermodynamic modelling and solar reactor design for syngas production through SCWG of algae

NASA Astrophysics Data System (ADS)

Venkataraman, Mahesh B.; Rahbari, Alireza; Pye, John

2017-06-01

Conversion of algal biomass into value added products, such as liquid fuels, using solar-assisted supercritical water gasification (SCWG) offers a promising approach for clean fuel production. SCWG has significant advantages over conventional gasification in terms of flexibility of feedstock, faster intrinsic kinetics and lower char formation. A relatively unexplored avenue in SCWG is the use of non-renewable source of energy for driving the endothermic gasification. The use of concentrated solar thermal to provide the process heat is attractive, especially in the case of expensive feedstocks such as algae. This study attempts to identify the key parameters and constraints in designing a solar cavity receiver/reactor for on-sun SCWG of algal biomass. A tubular plug-flow reactor, operating at 24 MPa and 400-600 °C with a solar input of 20MWth is modelled. Solar energy is utilized to increase the temperature of the reaction medium (10 wt.% algae solution) from 400 to 605 °C and simultaneously drive the gasification. The model additionally incorporates material constraints based on the allowable stresses for a commercially available Ni-based alloy (Inconel 625), and exergy accounting for the cavity reactor. A parametric evaluation of the steady state performance and quantification of the losses through wall conduction, external radiation and convection, internal convection, frictional pressure drop, mixing and chemical irreversibility, is presented.

Kinetics of autotrophic denitrification process and the impact of sulphur/limestone ratio on the process performance.

PubMed

Kilic, Arzu; Sahinkaya, Erkan; Cinar, Ozer

2014-01-01

Kinetics of sulphur-limestone autotrophic denitrification process in batch assays and the impact of sulphur/limestone ratio on the process performance in long-term operated packed-bed bioreactors were evaluated. The specific nitrate and nitrite reduction rates increased almost linearly with the increasing initial nitrate and nitrite concentrations, respectively. The process performance was evaluated in three parallel packed-bed bioreactors filled with different sulphur/limestone ratios (1:1, 2:1 and 3:1, v/v). Performances of the bioreactors were studied under varying nitrate loadings (0.05 - 0.80 gNO(-)(3) - NL⁻¹ d⁻¹) and hydraulic retention times (3-12 h). The maximum nitrate reduction rate of 0.66 g L⁻¹ d⁻¹ was observed at the loading rate of 0.80 g NO(-)(3) - N L⁻¹ d⁻¹ in the reactor with sulphur/limestone ratio of 3:1. Throughout the study, nitrite concentrations remained quite low (i.e. below 0.5 mg L⁻¹ NO(-)(2) -N. The reactor performance increased in the order of sulphur/limestone ratio of 3:1, 2:1 and 1:1. Denaturing gradient gel electrophoresis analysis of 16S rRNA genes showed quite stable communities in the reactors with the presence of Methylo virgulaligni, Sulfurimonas autotrophica, Sulfurovum lithotrophicum, Thiobacillus aquaesulis and Sulfurimonas autotrophica related species.

NUCLEAR REACTOR

DOEpatents

Grebe, J.J.

1959-07-14

High temperature reactors which are uniquely adapted to serve as the heat source for nuclear pcwered rockets are described. The reactor is comprised essentially of an outer tubular heat resistant casing which provides the main coolant passageway to and away from the reactor core within the casing and in which the working fluid is preferably hydrogen or helium gas which is permitted to vaporize from a liquid storage tank. The reactor core has a generally spherical shape formed entirely of an active material comprised of fissile material and a moderator material which serves as a diluent. The active material is fabricated as a gas permeable porous material and is interlaced in a random manner with very small inter-connecting bores or capillary tubes through which the coolant gas may flow. The entire reactor is divided into successive sections along the direction of the temperature gradient or coolant flow, each section utilizing materials of construction which are most advantageous from a nuclear standpoint and which at the same time can withstand the operating temperature of that particular zone. This design results in a nuclear reactor characterized simultaneously by a minimum critiral size and mass and by the ability to heat a working fluid to an extremely high temperature.

Drug-Target Kinetics in Drug Discovery.

PubMed

Tonge, Peter J

2018-01-17

The development of therapies for the treatment of neurological cancer faces a number of major challenges including the synthesis of small molecule agents that can penetrate the blood-brain barrier (BBB). Given the likelihood that in many cases drug exposure will be lower in the CNS than in systemic circulation, it follows that strategies should be employed that can sustain target engagement at low drug concentration. Time dependent target occupancy is a function of both the drug and target concentration as well as the thermodynamic and kinetic parameters that describe the binding reaction coordinate, and sustained target occupancy can be achieved through structural modifications that increase target (re)binding and/or that decrease the rate of drug dissociation. The discovery and deployment of compounds with optimized kinetic effects requires information on the structure-kinetic relationships that modulate the kinetics of binding, and the molecular factors that control the translation of drug-target kinetics to time-dependent drug activity in the disease state. This Review first introduces the potential benefits of drug-target kinetics, such as the ability to delineate both thermodynamic and kinetic selectivity, and then describes factors, such as target vulnerability, that impact the utility of kinetic selectivity. The Review concludes with a description of a mechanistic PK/PD model that integrates drug-target kinetics into predictions of drug activity.

Drug–Target Kinetics in Drug Discovery

PubMed Central

2017-01-01

The development of therapies for the treatment of neurological cancer faces a number of major challenges including the synthesis of small molecule agents that can penetrate the blood-brain barrier (BBB). Given the likelihood that in many cases drug exposure will be lower in the CNS than in systemic circulation, it follows that strategies should be employed that can sustain target engagement at low drug concentration. Time dependent target occupancy is a function of both the drug and target concentration as well as the thermodynamic and kinetic parameters that describe the binding reaction coordinate, and sustained target occupancy can be achieved through structural modifications that increase target (re)binding and/or that decrease the rate of drug dissociation. The discovery and deployment of compounds with optimized kinetic effects requires information on the structure–kinetic relationships that modulate the kinetics of binding, and the molecular factors that control the translation of drug–target kinetics to time-dependent drug activity in the disease state. This Review first introduces the potential benefits of drug-target kinetics, such as the ability to delineate both thermodynamic and kinetic selectivity, and then describes factors, such as target vulnerability, that impact the utility of kinetic selectivity. The Review concludes with a description of a mechanistic PK/PD model that integrates drug–target kinetics into predictions of drug activity. PMID:28640596

RAMONA-4B a computer code with three-dimensional neutron kinetics for BWR and SBWR system transient - user`s manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rohatgi, U.S.; Cheng, H.S.; Khan, H.J.

This document is the User`s Manual for the Boiling Water Reactor (BWR), and Simplified Boiling Water Reactor (SBWR) systems transient code RAMONA-4B. The code uses a three-dimensional neutron-kinetics model coupled with a multichannel, nonequilibrium, drift-flux, phase-flow model of the thermal hydraulics of the reactor vessel. The code is designed to analyze a wide spectrum of BWR core and system transients. Chapter 1 gives an overview of the code`s capabilities and limitations; Chapter 2 describes the code`s structure, lists major subroutines, and discusses the computer requirements. Chapter 3 is on code, auxillary codes, and instructions for running RAMONA-4B on Sun SPARCmore » and IBM Workstations. Chapter 4 contains component descriptions and detailed card-by-card input instructions. Chapter 5 provides samples of the tabulated output for the steady-state and transient calculations and discusses the plotting procedures for the steady-state and transient calculations. Three appendices contain important user and programmer information: lists of plot variables (Appendix A) listings of input deck for sample problem (Appendix B), and a description of the plotting program PAD (Appendix C). 24 refs., 18 figs., 11 tabs.« less

NEUTRONIC REACTOR

DOEpatents

Fraas, A.P.; Mills, C.B.

1961-11-21

A neutronic reactor in which neutron moderation is achieved primarily in its reflector is described. The reactor structure consists of a cylindrical central "island" of moderator and a spherical moderating reflector spaced therefrom, thereby providing an annular space. An essentially unmoderated liquid fuel is continuously passed through the annular space and undergoes fission while contained therein. The reactor, because of its small size, is particularly adapted for propulsion uses, including the propulsion of aircraft. (AEC)

LSENS - GENERAL CHEMICAL KINETICS AND SENSITIVITY ANALYSIS CODE

NASA Technical Reports Server (NTRS)

Bittker, D. A.

1994-01-01

which provides the relationships between the predictions of a kinetics model and the input parameters of the problem. LSENS provides for efficient and accurate chemical kinetics computations and includes sensitivity analysis for a variety of problems, including nonisothermal conditions. LSENS replaces the previous NASA general chemical kinetics codes GCKP and GCKP84. LSENS is designed for flexibility, convenience and computational efficiency. A variety of chemical reaction models can be considered. The models include static system, steady one-dimensional inviscid flow, reaction behind an incident shock wave including boundary layer correction, and the perfectly stirred (highly backmixed) reactor. In addition, computations of equilibrium properties can be performed for the following assigned states, enthalpy and pressure, temperature and pressure, internal energy and volume, and temperature and volume. For static problems LSENS computes sensitivity coefficients with respect to the initial values of the dependent variables and/or the three rates coefficient parameters of each chemical reaction. To integrate the ODEs describing chemical kinetics problems, LSENS uses the packaged code LSODE, the Livermore Solver for Ordinary Differential Equations, because it has been shown to be the most efficient and accurate code for solving such problems. The sensitivity analysis computations use the decoupled direct method, as implemented by Dunker and modified by Radhakrishnan. This method has shown greater efficiency and stability with equal or better accuracy than other methods of sensitivity analysis. LSENS is written in FORTRAN 77 with the exception of the NAMELIST extensions used for input. While this makes the code fairly machine independent, execution times on IBM PC compatibles would be unacceptable to most users. LSENS has been successfully implemented on a Sun4 running SunOS and a DEC VAX running VMS. With minor modifications, it should also be easily implemented on other

Adsorption and biodegradation of 2-chlorophenol by mixed culture using activated carbon as a supporting medium-reactor performance and model verification

NASA Astrophysics Data System (ADS)

Lin, Yen-Hui

2017-11-01

A non-steady-state mathematical model system for the kinetics of adsorption and biodegradation of 2-chlorophenol (2-CP) by attached and suspended biomass on activated carbon process was derived. The mechanisms in the model system included 2-CP adsorption by activated carbon, 2-CP mass transport diffusion in biofilm, and biodegradation by attached and suspended biomass. Batch kinetic tests were performed to determine surface diffusivity of 2-CP, adsorption parameters for 2-CP, and biokinetic parameters of biomass. Experiments were conducted using a biological activated carbon (BAC) reactor system with high recycled rate to approximate a completely mixed flow reactor for model verification. Concentration profiles of 2-CP by model predictions indicated that biofilm bioregenerated the activated carbon by lowering the 2-CP concentration at the biofilm-activated carbon interface as the biofilm grew thicker. The removal efficiency of 2-CP by biomass was approximately 98.5% when 2-CP concentration in the influent was around 190.5 mg L-1 at a steady-state condition. The concentration of suspended biomass reached up to about 25.3 mg L-1 while the thickness of attached biomass was estimated to be 636 μm at a steady-state condition by model prediction. The experimental results agree closely with the results of the model predictions.

Reactor performances and microbial communities of biogas reactors: effects of inoculum sources.

PubMed

Han, Sheng; Liu, Yafeng; Zhang, Shicheng; Luo, Gang

2016-01-01

Anaerobic digestion is a very complex process that is mediated by various microorganisms, and the understanding of the microbial community assembly and its corresponding function is critical in order to better control the anaerobic process. The present study investigated the effect of different inocula on the microbial community assembly in biogas reactors treating cellulose with various inocula, and three parallel biogas reactors with the same inoculum were also operated in order to reveal the reproducibility of both microbial communities and functions of the biogas reactors. The results showed that the biogas production, volatile fatty acid (VFA) concentrations, and pH were different for the biogas reactors with different inocula, and different steady-state microbial community patterns were also obtained in different biogas reactors as reflected by Bray-Curtis similarity matrices and taxonomic classification. It indicated that inoculum played an important role in shaping the microbial communities of biogas reactor in the present study, and the microbial community assembly in biogas reactor did not follow the niche-based ecology theory. Furthermore, it was found that the microbial communities and reactor performances of parallel biogas reactors with the same inoculum were different, which could be explained by the neutral-based ecology theory and stochastic factors should played important roles in the microbial community assembly in the biogas reactors. The Bray-Curtis similarity matrices analysis suggested that inoculum affected more on the microbial community assembly compared to stochastic factors, since the samples with different inocula had lower similarity (10-20 %) compared to the samples from the parallel biogas reactors (30 %).

A kinetics database and scripts for PHREEQC

NASA Astrophysics Data System (ADS)

Hu, B.; Zhang, Y.; Teng, Y.; Zhu, C.

2017-12-01

Kinetics of geochemical reactions has been increasingly used in numerical models to simulate coupled flow, mass transport, and chemical reactions. However, the kinetic data are scattered in the literature. To assemble a kinetic dataset for a modeling project is an intimidating task for most. In order to facilitate the application of kinetics in geochemical modeling, we assembled kinetics parameters into a database for the geochemical simulation program, PHREEQC (version 3.0). Kinetics data were collected from the literature. Our database includes kinetic data for over 70 minerals. The rate equations are also programmed into scripts with the Basic language. Using the new kinetic database, we simulated reaction path during the albite dissolution process using various rate equations in the literature. The simulation results with three different rate equations gave difference reaction paths at different time scale. Another application involves a coupled reactive transport model simulating the advancement of an acid plume in an acid mine drainage site associated with Bear Creek Uranium tailings pond. Geochemical reactions including calcite, gypsum, and illite were simulated with PHREEQC using the new kinetic database. The simulation results successfully demonstrated the utility of new kinetic database.

NUCLEAR REACTOR

DOEpatents

Miller, H.I.; Smith, R.C.

1958-01-21

This patent relates to nuclear reactors of the type which use a liquid fuel, such as a solution of uranyl sulfate in ordinary water which acts as the moderator. The reactor is comprised of a spherical vessel having a diameter of about 12 inches substantially surrounded by a reflector of beryllium oxide. Conventionnl control rods and safety rods are operated in slots in the reflector outside the vessel to control the operation of the reactor. An additional means for increasing the safety factor of the reactor by raising the ratio of delayed neutrons to prompt neutrons, is provided and consists of a soluble sulfate salt of beryllium dissolved in the liquid fuel in the proper proportion to obtain the result desired.

Chemical kinetics on extrasolar planets.

PubMed

Moses, Julianne I

2014-04-28

Chemical kinetics plays an important role in controlling the atmospheric composition of all planetary atmospheres, including those of extrasolar planets. For the hottest exoplanets, the composition can closely follow thermochemical-equilibrium predictions, at least in the visible and infrared photosphere at dayside (eclipse) conditions. However, for atmospheric temperatures approximately <2000K, and in the uppermost atmosphere at any temperature, chemical kinetics matters. The two key mechanisms by which kinetic processes drive an exoplanet atmosphere out of equilibrium are photochemistry and transport-induced quenching. I review these disequilibrium processes in detail, discuss observational consequences and examine some of the current evidence for kinetic processes on extrasolar planets.

Reactor water cleanup system

DOEpatents

Gluntz, Douglas M.; Taft, William E.

1994-01-01

A reactor water cleanup system includes a reactor pressure vessel containing a reactor core submerged in reactor water. First and second parallel cleanup trains are provided for extracting portions of the reactor water from the pressure vessel, cleaning the extracted water, and returning the cleaned water to the pressure vessel. Each of the cleanup trains includes a heat exchanger for cooling the reactor water, and a cleaner for cleaning the cooled reactor water. A return line is disposed between the cleaner and the pressure vessel for channeling the cleaned water thereto in a first mode of operation. A portion of the cooled water is bypassed around the cleaner during a second mode of operation and returned through the pressure vessel for shutdown cooling.

Reactor water cleanup system

DOEpatents

Gluntz, D.M.; Taft, W.E.

1994-12-20

A reactor water cleanup system includes a reactor pressure vessel containing a reactor core submerged in reactor water. First and second parallel cleanup trains are provided for extracting portions of the reactor water from the pressure vessel, cleaning the extracted water, and returning the cleaned water to the pressure vessel. Each of the cleanup trains includes a heat exchanger for cooling the reactor water, and a cleaner for cleaning the cooled reactor water. A return line is disposed between the cleaner and the pressure vessel for channeling the cleaned water thereto in a first mode of operation. A portion of the cooled water is bypassed around the cleaner during a second mode of operation and returned through the pressure vessel for shutdown cooling. 1 figure.

Kinetic modeling of methyl butanoate in shock tube.

PubMed

Huynh, Lam K; Lin, Kuang C; Violi, Angela

2008-12-25

during the pyrolysis of MB as well as to investigate the autoignition of MB in a shock tube reactor at different temperatures and pressures. The computed results agree very well with experimental data present in the literature. Sensitivity and flux (rate-of-production) analyses are carried out for the CO(2) formation with the new MB mechanism, together with available reaction mechanisms, to assess the importance of various kinetic pathways for each regime. With the new mechanism, the flux analyses for the formation of C(2)H species, one of the most important species for ignition delay time, are also presented at different conditions. In addition to giving a better chemical insight of the pyrolysis/oxidation of MB, the results suggest ways to improve the mechanism's capability to predict CO(2) formation and ignition delay times in pyrolysis and oxidation conditions.

Immobilized lysozyme for the continuous lysis of lactic bacteria in wine: Bench-scale fluidized-bed reactor study.

PubMed

Cappannella, Elena; Benucci, Ilaria; Lombardelli, Claudio; Liburdi, Katia; Bavaro, Teodora; Esti, Marco

2016-11-01

Lysozyme from hen egg white (HEWL) was covalently immobilized on spherical supports based on microbial chitosan in order to develop a system for the continuous, efficient and food-grade enzymatic lysis of lactic bacteria (Oenococcus oeni) in white and red wine. The objective is to limit the sulfur dioxide dosage required to control malolactic fermentation, via a cell concentration typical during this process. The immobilization procedure was optimized in batch mode, evaluating the enzyme loading, the specific activity, and the kinetic parameters in model wine. Subsequently, a bench-scale fluidized-bed reactor was developed, applying the optimized process conditions. HEWL appeared more effective in the immobilized form than in the free one, when the reactor was applied in real white and red wine. This preliminary study suggests that covalent immobilization renders the enzyme less sensitive to the inhibitory effect of wine flavans. Copyright © 2016 Elsevier Ltd. All rights reserved.

97. ARAIII. ML1 reactor has been moved into GCRE reactor ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

97. ARA-III. ML-1 reactor has been moved into GCRE reactor building (ARA-608) for examination of corrosion on its underside and repair. May 24, 1963. Ineel photo no. 63-3485. - Idaho National Engineering Laboratory, Army Reactors Experimental Area, Scoville, Butte County, ID

NEUTRONIC REACTOR SHIELDING

DOEpatents

Borst, L.B.

1961-07-11

A special hydrogenous concrete shielding for reactors is described. In addition to Portland cement and water, the concrete essentially comprises 30 to 60% by weight barytes aggregate for enhanced attenuation of fast neutrons. The biological shields of AEC's Oak Ridge Graphite Reactor and Materials Testing Reactor are particular embodiments.

REACTOR

DOEpatents

Roman, W.G.

1961-06-27

A pressurized water reactor in which automatic control is achieved by varying the average density of the liquid moderator-cooiant is patented. Density is controlled by the temperature and power level of the reactor ftself. This control can be effected by the use of either plate, pellet, or tubular fuel elements. The fuel elements are disposed between upper and lower coolant plenum chambers and are designed to permit unrestricted coolant flow. The control chamber has an inlet opening communicating with the lower coolant plenum chamber and a restricted vapor vent communicating with the upper coolant plenum chamber. Thus, a variation in temperature of the fuel elements will cause a variation in the average moderator density in the chamber which directly affects the power level of the reactor.

HIGH PRESSURE COAL COMBUSTON KINETICS PROJECT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stefano Orsino

As part of the U.S. Department of Energy (DoE) initiative to improve the efficiency of coal-fired power plants and reduce the pollution generated by these facilities, DOE has funded the High-Pressure Coal Combustion Kinetics (HPCCK) Projects. A series of laboratory experiments were conducted on selected pulverized coals at elevated pressures with the specific goals to provide new data for pressurized coal combustion that will help extend to high pressure and validate models for burnout, pollutant formation, and generate samples of solid combustion products for analyses to fill crucial gaps in knowledge of char morphology and fly ash formation. Two seriesmore » of high-pressure coal combustion experiments were performed using SRI's pressurized radiant coal flow reactor. The first series of tests characterized the near burner flame zone (NBFZ). Three coals were tested, two high volatile bituminous (Pittsburgh No.8 and Illinois No.6), and one sub-bituminous (Powder River Basin), at pressures of 1, 2, and 3 MPa (10, 20, and 30 atm). The second series of experiments, which covered high-pressure burnout (HPBO) conditions, utilized a range of substantially longer combustion residence times to produce char burnout levels from 50% to 100%. The same three coals were tested at 1, 2, and 3 MPa, as well as at 0.2 MPa. Tests were also conducted on Pittsburgh No.8 coal in CO2 entrainment gas at 0.2, 1, and 2 MPa to begin establishing a database of experiments relevant to carbon sequestration techniques. The HPBO test series included use of an impactor-type particle sampler to measure the particle size distribution of fly ash produced under complete burnout conditions. The collected data have been interpreted with the help of CFD and detailed kinetics simulation to extend and validate devolatilization, char combustion and pollutant model at elevated pressure. A global NOX production sub-model has been proposed. The submodel reproduces the performance of the detailed chemical

Probabilistic parameter estimation in a 2-step chemical kinetics model for n-dodecane jet autoignition

NASA Astrophysics Data System (ADS)

Hakim, Layal; Lacaze, Guilhem; Khalil, Mohammad; Sargsyan, Khachik; Najm, Habib; Oefelein, Joseph

2018-05-01

This paper demonstrates the development of a simple chemical kinetics model designed for autoignition of n-dodecane in air using Bayesian inference with a model-error representation. The model error, i.e. intrinsic discrepancy from a high-fidelity benchmark model, is represented by allowing additional variability in selected parameters. Subsequently, we quantify predictive uncertainties in the results of autoignition simulations of homogeneous reactors at realistic diesel engine conditions. We demonstrate that these predictive error bars capture model error as well. The uncertainty propagation is performed using non-intrusive spectral projection that can also be used in principle with larger scale computations, such as large eddy simulation. While the present calibration is performed to match a skeletal mechanism, it can be done with equal success using experimental data only (e.g. shock-tube measurements). Since our method captures the error associated with structural model simplifications, we believe that the optimised model could then lead to better qualified predictions of autoignition delay time in high-fidelity large eddy simulations than the existing detailed mechanisms. This methodology provides a way to reduce the cost of reaction kinetics in simulations systematically, while quantifying the accuracy of predictions of important target quantities.

Pressurized fluidized bed reactor

DOEpatents

Isaksson, J.

1996-03-19

A pressurized fluid bed reactor power plant includes a fluidized bed reactor contained within a pressure vessel with a pressurized gas volume between the reactor and the vessel. A first conduit supplies primary gas from the gas volume to the reactor, passing outside the pressure vessel and then returning through the pressure vessel to the reactor, and pressurized gas is supplied from a compressor through a second conduit to the gas volume. A third conduit, comprising a hot gas discharge, carries gases from the reactor, through a filter, and ultimately to a turbine. During normal operation of the plant, pressurized gas is withdrawn from the gas volume through the first conduit and introduced into the reactor at a substantially continuously controlled rate as the primary gas to the reactor. In response to an operational disturbance of the plant, the flow of gas in the first, second, and third conduits is terminated, and thereafter the pressure in the gas volume and in the reactor is substantially simultaneously reduced by opening pressure relief valves in the first and third conduits, and optionally by passing air directly from the second conduit to the turbine. 1 fig.

Pressurized fluidized bed reactor

DOEpatents

Isaksson, Juhani

1996-01-01

A pressurized fluid bed reactor power plant includes a fluidized bed reactor contained within a pressure vessel with a pressurized gas volume between the reactor and the vessel. A first conduit supplies primary gas from the gas volume to the reactor, passing outside the pressure vessel and then returning through the pressure vessel to the reactor, and pressurized gas is supplied from a compressor through a second conduit to the gas volume. A third conduit, comprising a hot gas discharge, carries gases from the reactor, through a filter, and ultimately to a turbine. During normal operation of the plant, pressurized gas is withdrawn from the gas volume through the first conduit and introduced into the reactor at a substantially continuously controlled rate as the primary gas to the reactor. In response to an operational disturbance of the plant, the flow of gas in the first, second, and third conduits is terminated, and thereafter the pressure in the gas volume and in the reactor is substantially simultaneously reduced by opening pressure relief valves in the first and third conduits, and optionally by passing air directly from the second conduit to the turbine.

Neutron fluxes in test reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Youinou, Gilles Jean-Michel

Communicate the fact that high-power water-cooled test reactors such as the Advanced Test Reactor (ATR), the High Flux Isotope Reactor (HFIR) or the Jules Horowitz Reactor (JHR) cannot provide fast flux levels as high as sodium-cooled fast test reactors. The memo first presents some basics physics considerations about neutron fluxes in test reactors and then uses ATR, HFIR and JHR as an illustration of the performance of modern high-power water-cooled test reactors.

151. ARAIII Reactor building (ARA608) Details of reactor pit and ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

151. ARA-III Reactor building (ARA-608) Details of reactor pit and instrument plan. Aerojet-general 880-area/GCRE-608-T-19. Date: November 1958. Ineel index code no. 063-0608-25-013-102678. - Idaho National Engineering Laboratory, Army Reactors Experimental Area, Scoville, Butte County, ID

NEUTRONIC REACTOR MANIPULATING DEVICE

DOEpatents

Ohlinger, L.A.

1962-08-01

A cable connecting a control rod in a reactor with a motor outside the reactor for moving the rod, and a helical conduit in the reactor wall, through which the cable passes are described. The helical shape of the conduit prevents the escape of certain harmful radiations from the reactor. (AEC)

Pyrolysis kinetics of coking coal mixed with biomass under non-isothermal and isothermal conditions.

PubMed

Jeong, Ha Myung; Seo, Myung Won; Jeong, Sang Mun; Na, Byung Ki; Yoon, Sang Jun; Lee, Jae Goo; Lee, Woon Jae

2014-03-01

To investigate the kinetic characteristics of coking coal mixed with biomass during pyrolysis, thermogravimetric (TG) and thermo-balance reactor (TBR) analyses were conducted under non-isothermal and isothermal condition. Yellow poplar as a biomass (B) was mixed with weak coking coal (WC) and hard coking coal (HC), respectively. The calculated activation energies of WC/B blends were higher than those of HC/B blends under non-isothermal and isothermal conditions. The coal/biomass blends show increased reactivity and decreased activation energy with increasing biomass blend ratio, regardless of the coking properties of the coal. The different char structures of the WC/B and HC/B blends were analyzed by BET and SEM. Copyright © 2014 Elsevier Ltd. All rights reserved.

Simulation for Supporting Scale-Up of a Fluidized Bed Reactor for Advanced Water Oxidation

PubMed Central

Abdul Raman, Abdul Aziz; Daud, Wan Mohd Ashri Wan

2014-01-01

Simulation of fluidized bed reactor (FBR) was accomplished for treating wastewater using Fenton reaction, which is an advanced oxidation process (AOP). The simulation was performed to determine characteristics of FBR performance, concentration profile of the contaminants, and various prominent hydrodynamic properties (e.g., Reynolds number, velocity, and pressure) in the reactor. Simulation was implemented for 2.8 L working volume using hydrodynamic correlations, continuous equation, and simplified kinetic information for phenols degradation as a model. The simulation shows that, by using Fe3+ and Fe2+ mixtures as catalyst, TOC degradation up to 45% was achieved for contaminant range of 40–90 mg/L within 60 min. The concentration profiles and hydrodynamic characteristics were also generated. A subsequent scale-up study was also conducted using similitude method. The analysis shows that up to 10 L working volume, the models developed are applicable. The study proves that, using appropriate modeling and simulation, data can be predicted for designing and operating FBR for wastewater treatment. PMID:25309949

Atmospheric pressure flow reactor: Gas phase chemical kinetics under tropospheric conditions without wall effects

NASA Technical Reports Server (NTRS)

Koontz, Steven L. (Inventor); Davis, Dennis D. (Inventor)

1991-01-01

A flow reactor for simulating the interaction in the troposphere is set forth. A first reactant mixed with a carrier gas is delivered from a pump and flows through a duct having louvers therein. The louvers straighten out the flow, reduce turbulence and provide laminar flow discharge from the duct. A second reactant delivered from a source through a pump is input into the flowing stream, the second reactant being diffused through a plurality of small diffusion tubes to avoid disturbing the laminar flow. The commingled first and second reactants in the carrier gas are then directed along an elongated duct where the walls are spaced away from the flow of reactants to avoid wall interference, disturbance or turbulence arising from the walls. A probe connected with a measuring device can be inserted through various sampling ports in the second duct to complete measurements of the first and second reactants and the product of their reaction at selected XYZ locations relative to the flowing system.

Kinetic energy equations for the average-passage equation system

NASA Technical Reports Server (NTRS)

Johnson, Richard W.; Adamczyk, John J.

1989-01-01

Important kinetic energy equations derived from the average-passage equation sets are documented, with a view to their interrelationships. These kinetic equations may be used for closing the average-passage equations. The turbulent kinetic energy transport equation used is formed by subtracting the mean kinetic energy equation from the averaged total instantaneous kinetic energy equation. The aperiodic kinetic energy equation, averaged steady kinetic energy equation, averaged unsteady kinetic energy equation, and periodic kinetic energy equation, are also treated.

155. ARAIII Reactor building (ARA608) Details of reactor pit showing ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

155. ARA-III Reactor building (ARA-608) Details of reactor pit showing tray supports and fuel element storage rack. Aerojet-general 880-area/GCRE-608-MS-2. Date: November 1958. Ineel index code no. 063-0608-40-013-102625. - Idaho National Engineering Laboratory, Army Reactors Experimental Area, Scoville, Butte County, ID

FAST NEUTRON REACTOR

DOEpatents

Soodak, H.; Wigner, E.P.

1961-07-25

A reactor comprising fissionable material in concentration sufficiently high so that the average neutron enengy within the reactor is at least 25,000 ev is described. A natural uranium blanket surrounds the reactor, and a moderating reflector surrounds the blanket. The blanket is thick enough to substantially eliminate flow of neutrons from the reflector.

NEUTRONIC REACTOR

DOEpatents

Hurwitz, H. Jr.; Brooks, H.; Mannal, C.; Payne, J.H.; Luebke, E.A.

1959-03-24

A reactor of the heterogeneous, liquid cooled type is described. This reactor is comprised of a central region of a plurality of vertically disposed elongated tubes surrounded by a region of moderator material. The central region is comprised of a central core surrounded by a reflector region which is surrounded by a fast neutron absorber region, which in turn is surrounded by a slow neutron absorber region. Liquid sodium is used as the primary coolant and circulates through the core which contains the fuel elements. Control of the reactor is accomplished by varying the ability of the reflector region to reflect neutrons back into the core of the reactor. For this purpose the reflector is comprised of moderator and control elements having varying effects on reactivity, the control elements being arranged and actuated by groups to give regulation, shim, and safety control.

Importance of reduced sulfur for the equilibrium chemistry and kinetics of Fe(II), Co(II) and Ni(II) supplemented to semi-continuous stirred tank biogas reactors fed with stillage.

PubMed

Shakeri Yekta, Sepehr; Lindmark, Amanda; Skyllberg, Ulf; Danielsson, Asa; Svensson, Bo H

2014-03-30

The objective of the present study was to assess major chemical reactions and chemical forms contributing to solubility and speciation of Fe(II), Co(II), and Ni(II) during anaerobic digestion of sulfur (S)-rich stillage in semi-continuous stirred tank biogas reactors (SCSTR). These metals are essential supplements for efficient and stable performance of stillage-fed SCSTR. In particular, the influence of reduced inorganic and organic S species on kinetics and thermodynamics of the metals and their partitioning between aqueous and solid phases were investigated. Solid phase S speciation was determined by use of S K-edge X-ray absorption near-edge spectroscopy. Results demonstrated that the solubility and speciation of supplemented Fe were controlled by precipitation of FeS(s) and formation of the aqueous complexes of Fe-sulfide and Fe-thiol. The relatively high solubility of Co (∼ 20% of total Co content) was attributed to the formation of compounds other than Co-sulfide and Co-thiol, presumably of microbial origin. Nickel had lower solubility than Co and its speciation was regulated by interactions with FeS(s) (e.g. co-precipitation, adsorption, and ion substitution) in addition to precipitation/dissolution of discrete NiS(s) phase and formation of aqueous Ni-sulfide complexes. Copyright © 2014 Elsevier B.V. All rights reserved.

F Reactor Inspection

ScienceCinema

Grindstaff, Keith; Hathaway, Boyd; Wilson, Mike

2018-01-16

Workers from Mission Support Alliance, LLC., removed the welds around the steel door of the F Reactor before stepping inside the reactor to complete its periodic inspection. This is the first time the Department of Energy (DOE) has had the reactor open since 2008. The F Reactor is one of nine reactors along the Columbia River at the Department's Hanford Site in southeastern Washington State, where environmental cleanup has been ongoing since 1989. As part of the Tri-Party Agreement, the Department completes surveillance and maintenance activities of cocooned reactors periodically to evaluate the structural integrity of the safe storage enclosure and to ensure confinement of any remaining hazardous materials. "This entry marks a transition of sorts because the Hanford Long-Term Stewardship Program, for the first time, was responsible for conducting the entry and surveillance and maintenance activities," said Keith Grindstaff, Energy Department Long-Term Stewardship Program Manager. "As the River Corridor cleanup work is completed and transitioned to long-term stewardship, our program will manage any on-going requirements."

F Reactor Inspection

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grindstaff, Keith; Hathaway, Boyd; Wilson, Mike

2014-10-29

Workers from Mission Support Alliance, LLC., removed the welds around the steel door of the F Reactor before stepping inside the reactor to complete its periodic inspection. This is the first time the Department of Energy (DOE) has had the reactor open since 2008. The F Reactor is one of nine reactors along the Columbia River at the Department's Hanford Site in southeastern Washington State, where environmental cleanup has been ongoing since 1989. As part of the Tri-Party Agreement, the Department completes surveillance and maintenance activities of cocooned reactors periodically to evaluate the structural integrity of the safe storage enclosuremore » and to ensure confinement of any remaining hazardous materials. "This entry marks a transition of sorts because the Hanford Long-Term Stewardship Program, for the first time, was responsible for conducting the entry and surveillance and maintenance activities," said Keith Grindstaff, Energy Department Long-Term Stewardship Program Manager. "As the River Corridor cleanup work is completed and transitioned to long-term stewardship, our program will manage any on-going requirements."« less

Simultaneous fermentation and separation in an immobilized cell trickle bed reactor: Acetone-butanol-ethane (ABE) and ethanol fermentation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, C.H.

1989-01-01

A novel process employing immobilized cells and in-situ product removal was studied for acetone-butanol-ethanol (ABE) fermentation by Clostridium acetobutylicum and ethanol fermentation by Saccharomyces cerevisiae. Experimental studies of ABE fermentation in a trickle bed reactor without product separation showed that solvent production could be improved by one order of magnitude compared to conventional batch fermentation. Control of effluent pH near 4.3 and feed glucose concentrations higher than 10 g/L were the necessary conditions for cell growth and solvent production. A mathematical model using an equilibrium staged model predicted efficient separation of butanol from the fermentation broth. Activity coefficients of multicomponentmore » system were estimated by Wilson's equation or the ASOG method. Inhibition by butanol and organic acids was incorporated into the kinetic expression. Experimental performance of simultaneous fermentation and separation in an immobilized cell trickle bed reactor showed that glucose conversion was improved as predicted by mathematical modeling and analysis. The effect of pH and temperature on ethanol fermentation by Saccharomyces cerevisiae was studied in free and immobilized cell reactors. Conditions for the highest glucose conversion, cell viability and least glycerol yield were determined.« less

Equilibrium and kinetic modelling of Cd(II) biosorption by algae Gelidium and agar extraction algal waste.

PubMed

Vilar, Vítor J P; Botelho, Cidália M S; Boaventura, Rui A R

2006-01-01

In this study an industrial algal waste from agar extraction has been used as an inexpensive and effective biosorbent for cadmium (II) removal from aqueous solutions. This biosorbent was compared with the algae Gelidium itself, which is the raw material for agar extraction. Equilibrium data follow both Langmuir and Redlich-Peterson models. The parameters of Langmuir equilibrium model are q(max)=18.0 mgg(-1), b=0.19 mgl(-1) and q(max)=9.7 mgg(-1), b=0.16 mgl(-1), respectively for Gelidium and the algal waste. Kinetic experiments were conducted at initial Cd(II) concentrations in the range 6-91 mgl(-1). Data were fitted to pseudo-first- and second-order Lagergren models. For an initial Cd(II) concentration of 91 mgl(-1) the parameters of the pseudo-first-order Lagergren model are k(1,ads)=0.17 and 0.87 min(-1); q(eq)=16.3 and 8.7 mgg(-1), respectively, for Gelidium and algal waste. Kinetic constants vary with the initial metal concentration. The adsorptive behaviour of biosorbent particles was modelled using a batch reactor mass transfer kinetic model. The model successfully predicts Cd(II) concentration profiles and provides significant insights on the biosorbents performance. The homogeneous diffusivity, D(h), is in the range 0.5-2.2 x10(-8) and 2.1-10.4 x10(-8)cm(2)s(-1), respectively, for Gelidium and algal waste.

Estimation of Sintering Kinetics of Oxidized Magnetite Pellet Using Optical Dilatometer

NASA Astrophysics Data System (ADS)

Sandeep Kumar, T. K.; Viswanathan, Neelakantan Nurni; Ahmed, Hesham M.; Andersson, Charlotte; Björkman, Bo

2015-04-01

The quality of magnetite pellet is primarily determined by the physico-chemical changes the pellet undergoes as it makes excursion through the gaseous and thermal environment in the induration furnace. Among these physico-chemical processes, the oxidation of magnetite phase and the sintering of oxidized magnetite (hematite) and magnetite (non-oxidized) phases are vital. Rates of these processes not only depend on the thermal and gaseous environment the pellet gets exposed in the induration reactor but also interdependent on each other. Therefore, a systematic study should involve understanding these processes in isolation to the extent possible and quantify them seeking the physics. With this motivation, the present paper focusses on investigating the sintering kinetics of oxidized magnetite pellet. For the current investigation, sintering experiments were carried out on pellets containing more than 95 pct magnetite concentrate from LKAB's mine, dried and oxidized to completion at sufficiently low temperature to avoid sintering. The sintering behavior of this oxidized pellet is quantified through shrinkage captured by Optical Dilatometer. The extent of sintering characterized by sintering ratio found to follow a power law with time i.e., Kt n . The rate constant K for sintering was determined for different temperatures from isothermal experiments. The rate constant, K, varies with temperature as and the activation energy ( Q) and reaction rate constant ( K') are estimated. Further, the sintering kinetic equation was also extended to a non-isothermal environment and validated using laboratory experiments.

REACTOR

DOEpatents

Szilard, L.

1963-09-10

A breeder reactor is described, including a mass of fissionable material that is less than critical with respect to unmoderated neutrons and greater than critical with respect to neutrons of average energies substantially greater than thermal, a coolant selected from sodium or sodium--potassium alloys, a control liquid selected from lead or lead--bismuth alloys, and means for varying the quantity of control liquid in the reactor. (AEC)

Associations between timing in the baseball pitch and shoulder kinetics, elbow kinetics, and ball speed.

PubMed

Urbin, M A; Fleisig, Glenn S; Abebe, Asheber; Andrews, James R

2013-02-01

A baseball pitcher's ability to maximize ball speed while avoiding shoulder and elbow injuries is an important determinant of a successful career. Pitching injuries are attributed to microtrauma brought about by the repetitive stress of high-magnitude shoulder and elbow kinetics. Over a number of pitches, variations in timing peak angular velocities of trunk segment rotations will be significantly associated with ball speed and upper extremity kinetic parameters. Descriptive laboratory study. Kinematic and kinetic data were derived from 9 to 15 fastball pitches performed by 16 active, healthy collegiate (n = 8) and professional (n = 8) pitchers via 3-dimensional motion capture (240 Hz). Each pitch was decomposed into 4 phases corresponding to the time between peak angular velocities of sequential body segment rotations. Four mixed models were used to evaluate which phases varied significantly in relation to ball speed, peak shoulder proximal force, peak shoulder internal rotation torque, and peak elbow varus torque. Mixed-model parameter coefficient estimates were used to quantify the influence of these variations in timing on ball speed and upper extremity kinetics. All 4 mixed models were significant (P < .05). The time from stride-foot contact to peak pelvis angular velocity varied significantly in relation to all upper extremity kinetic parameters and ball speed. Increased time in this phase correlated with decreases in all parameters. Decreased ball speed also correlated with increased time between peak upper torso and elbow extension angular velocities. Decreased shoulder proximal force also correlated with increased time between peak pelvis and upper torso angular velocities. There are specific phases that vary in relation to ball speed and upper extremity kinetic parameters, reinforcing the importance of effectively and consistently timing segmental interactions. For the specific interactions that varied significantly, increased phase times were associated

Kinetic Description of the Impedance Probe

NASA Astrophysics Data System (ADS)

Oberrath, Jens; Lapke, Martin; Mussenbrock, Thomas; Brinkmann, Ralf

2011-10-01

Active plasma resonance spectroscopy is a well known diagnostic method. Many concepts of this method are theoretically investigated and realized as a diagnostic tool, one of which is the impedance probe (IP). The application of such a probe in plasmas with pressures of a few Pa raises the question whether kinetic effects have to be taken into account or not. To address this question a kinetic model is necessary. A general kinetic model for an electrostatic concept of active plasma spectroscopy was presented by R.P. Brinkmann and can be used to describe the multipole resonance probe (MRP). In principle the IP is interpretable as a special case of the MRP in lower order. Thus, we are able to describe the IP by the kinetic model of the MRP. Based on this model we derive a solution to investigate the influence of kinetic effects to the resonance behavior of the IP. Active plasma resonance spectroscopy is a well known diagnostic method. Many concepts of this method are theoretically investigated and realized as a diagnostic tool, one of which is the impedance probe (IP). The application of such a probe in plasmas with pressures of a few Pa raises the question whether kinetic effects have to be taken into account or not. To address this question a kinetic model is necessary. A general kinetic model for an electrostatic concept of active plasma spectroscopy was presented by R.P. Brinkmann and can be used to describe the multipole resonance probe (MRP). In principle the IP is interpretable as a special case of the MRP in lower order. Thus, we are able to describe the IP by the kinetic model of the MRP. Based on this model we derive a solution to investigate the influence of kinetic effects to the resonance behavior of the IP. The authors acknowledge the support by the Deutsche Forschungsgemeinschaft (DFG) via the Ruhr University Research School and the Federal Ministry of Education and Research in frame of the PluTO project.