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Sample records for oxidation process simulation

  1. Simulation of atomistic processes during silicon oxidation

    Bongiorno, Angelo

    2003-01-01

    Silicon dioxide (SiO2) films grown on silicon monocrystal (Si) substrates form the gate oxides in current Si-based microelectronics devices. The understanding at the atomic scale of both the silicon oxidation process and the properties of the Si(100)-SiO2 interface is of significant importance in state-of-the-art silicon microelectronics manufacturing. These two topics are intimately coupled and are both addressed in this theoretical investigation mainly through first-principles calculations....

  2. Simulation of the selective oxidation process of semiconductors

    Chahoud, M.

    2012-01-01

    A new approach to simulate the selective oxidation of semiconductors is presented. This approach is based on the so-called b lack box simulation method . This method is usually used to simulate complex processes. The chemical and physical details within the process are not considered. Only the input and output data of the process are relevant for the simulation. A virtual function linking the input and output data has to be found. In the case of selective oxidation the input data are the mask geometry and the oxidation duration whereas the output data are the oxidation thickness distribution. The virtual function is determined as four virtual diffusion processes between the masked und non-masked areas. Each process delivers one part of the oxidation profile. The method is applied successfully on the oxidation system silicon-silicon nitride (Si-Si 3 N 4 ). The fitting parameters are determined through comparison of experimental and simulation results two-dimensionally.(author)

  3. Baseline process description for simulating plutonium oxide production for precalc project

    Pike, J. A. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2017-10-26

    Savannah River National Laboratory (SRNL) started a multi-year project, the PreCalc Project, to develop a computational simulation of a plutonium oxide (PuO2) production facility with the objective to study the fundamental relationships between morphological and physicochemical properties. This report provides a detailed baseline process description to be used by SRNL personnel and collaborators to facilitate the initial design and construction of the simulation. The PreCalc Project team selected the HB-Line Plutonium Finishing Facility as the basis for a nominal baseline process since the facility is operational and significant model validation data can be obtained. The process boundary as well as process and facility design details necessary for multi-scale, multi-physics models are provided.

  4. Process simulation

    Cao, E.G.; Suarez, P.S.; Pantaleon, J.C.

    1984-01-01

    The search for an optimal design of a heavy water plant is done by means of a simulation model for the mass and enthalpy balances of the SH 2 -H 2 O exchange process. A symplified model for the simulation diagram where the entire plant is represented by a sole tray tower with recicles, and heat and mass feeds/extractions was used. The tower is simulated by the method developed by Tomich with the convergence part given by the algorithm of Broyden. The concluding part of the work is centered in setting the design parameters (flowrates, heat exchange rates, number of plates) wich give the desired process operating conditions. (author) [es

  5. Biochemistry Oxidation Process for Treatment the Simulation of Organic Liquid Radioactive Waste

    Gunandjar; Zainus Salimin; Sugeng Purnomo; Ratiko

    2010-01-01

    The nuclear industry activities generate the organic liquid wastes such as detergent waste from laundry, solvent waste of 30% TBP (tri-n-butyl phosphate) in kerosene from purification or recovery of uranium from rejection of nuclear fuel element fabrication, and solvent waste containing D 2 EHPA (di-2-ethyl hexyl phosphoric acid) and TOPO (trioctyl phospine oxide) in kerosene from phosphoric acid purification. The wastes are included in category of the hazard and poison materials which also radioactive, so that the wastes have to be treated to detoxification of the hazard and poison materials and decontamination of the radionuclides. The research of biochemistry oxidation process for treatment the simulation of organic liquid radioactive waste from laundry using mixture of aerobe bacteria of bacillus sp, pseudomonas sp, arthrobacter sp, and aeromonas sp have been carried out. The waste containing detergent 1,496 g/Litre, activity 10 -1 Ci/m 3 , with COD (Chemical Oxygen Demand) 128, BOD (Biological Oxygen Demand) 68 and TSS (Total Suspended Solid) 1000 ppm, it is treated by biochemistry oxidation with addition of bacteria which be fed nutrition of nitrogen and phosphor, and aeration. The result show that the bacteria can decompose the detergent to become carbon dioxyde and water so that can fulfill the quality standard of water group-B with content of BOD and COD are 6 and 10 ppm respectively, the time of decomposition is needed 106 hours to be fulfill the quality standard of water. The longer of process time will give bigger the total solid content in sludge, because the biomass generated from the colony of bacteria which life and dead to so much. (author)

  6. Extending the benchmark simulation model no2 with processes for nitrous oxide production and side-stream nitrogen removal

    Boiocchi, Riccardo; Sin, Gürkan; Gernaey, Krist V.

    2015-01-01

    In this work the Benchmark Simulation Model No.2 is extended with processes for nitrous oxide production and for side-stream partial nitritation/Anammox (PN/A) treatment. For these extensions the Activated Sludge Model for Greenhouse gases No.1 was used to describe the main waterline, whereas...... the Complete Autotrophic Nitrogen Removal (CANR) model was used to describe the side-stream (PN/A) treatment. Comprehensive simulations were performed to assess the extended model. Steady-state simulation results revealed the following: (i) the implementation of a continuous CANR side-stream reactor has...... increased the total nitrogen removal by 10%; (ii) reduced the aeration demand by 16% compared to the base case, and (iii) the activity of ammonia-oxidizing bacteria is most influencing nitrous oxide emissions. The extended model provides a simulation platform to generate, test and compare novel control...

  7. Development of advanced spent fuel management process. The fabrication and oxidation behavior of simulated metallized spent fuel

    Ro, Seung Gy; Shin, Y.J.; You, G.S.; Joo, J.S.; Min, D.K.; Chun, Y.B.; Lee, E.P.; Seo, H.S.; Ahn, S.B

    1999-03-01

    The simulated metallized spent fuel ingots were fabricated and evaluated the oxidation rates and the activation energies under several temperature conditions to develop an advanced spent fuel management process. It was also checked the alloying characteristics of the some elements with metal uranium. (Author). 3 refs., 1 tab., 36 figs.

  8. Lipid oxidation and vitamin D3 degradation in simulated whole milk powder as influenced by processing and storage.

    Mahmoodani, Fatemeh; Perera, Conrad O; Abernethy, Grant; Fedrizzi, Bruno; Chen, Hong

    2018-09-30

    Vitamin D3 levels are known to sometimes decline in fortified products, which could be due to its degradation, although the exact mechanism is unknown. In this study, the influence of processing and storage conditions on lipid oxidation and vitamin D3 degradation were studied. Simulated whole milk powders with and without heat treatment were stored for 12 months at two different storage temperatures (20 °C and 40 °C). Stored samples without heat treatment showed higher lipid oxidation products analyzed by PV and TBARS values compared to those with heat treatment. Higher storage temperature also resulted in higher levels of lipid oxidation products. The concentration of vitamin D3 was also analyzed using UHPLC-MS/MS after PTAD derivatization in stored samples. An inverse relationship was observed between lipid oxidation products and vitamin D3 content. Finally, previtamin D3 and vitamin D3 oxidation products were quantified in stored samples using MRM analysis. Copyright © 2018 Elsevier Ltd. All rights reserved.

  9. Optimized Ultrasound-Assisted Oxidative Desulfurization Process of Simulated Fuels over Activated Carbon-Supported Phosphotungstic Acid

    Peniel Jean Gildo

    2018-01-01

    Full Text Available Recent technological advancements respond to the call to minimize/eliminate emissions to the atmosphere. However, on the average, fuel oils which is one of the major raw materials, is found to increase in sulfur concentration due to a phenomenon called thermal maturation. As such, a deeper desulfurization process is needed to obtain low/ultra-low sulfur fuel oils. In the present study, the ultrasound assisted oxidative desulfurization (UAOD processes using the H2O2 and HPW-AC oxidizing system applied to simulated fuel (~2800 ppm sulfur in the form of dibenzothiophene, benzothiophene, and thiophene dissolved in toluene, were optimized. After the pre-saturation of the HPW-AC with the simulated fuel, H2O2 was added just before the reaction was commenced under ultrasonic irradiation. After the application of both 2k-factorial design of experiment for screening and Face-Centered Design of Experiment for optimization, it was found that 25.52 wt% of H2O2 concentration, 983.9 mg of catalyst dose, 9.52 mL aqueous phase per 10 mL of the organic phase and 76.36 minutes of ultrasonication time would render 94.74% oxidation of the sulfur compounds in the simulated fuel. After the application of the optimized parameters to kerosene and employing a 4-cycle extraction using acetonitrile, 99% of the original sulfur content were removed from the kerosene using the UAOD optimized parameters. The desulfurization process resulted in a low-sulfur kerosene which retained its basic fuel properties such as density, viscosity and calorific value.

  10. On-the-Fly Kinetic Monte Carlo Simulation of Aqueous Phase Advanced Oxidation Processes.

    Guo, Xin; Minakata, Daisuke; Crittenden, John

    2015-08-04

    We have developed an on-the-fly kinetic Monte Carlo (KMC) model to predict the degradation mechanisms and fates of intermediates and byproducts that are produced during aqueous-phase advanced oxidation processes (AOPs). The on-the-fly KMC model is composed of a reaction pathway generator, a reaction rate constant estimator, a mechanistic reduction module, and a KMC solver. The novelty of this work is that we develop the pathway as we march forward in time rather than developing the pathway before we use the KMC method to solve the equations. As a result, we have fewer reactions to consider, and we have greater computational efficiency. We have verified this on-the-fly KMC model for the degradation of polyacrylamide (PAM) using UV light and titanium dioxide (i.e., UV/TiO2). Using the on-the-fly KMC model, we were able to predict the time-dependent profiles of the average molecular weight for PAM. The model provided detailed and quantitative insights into the time evolution of the molecular weight distribution and reaction mechanism. We also verified our on-the-fly KMC model for the destruction of (1) acetone, (2) trichloroethylene (TCE), and (3) polyethylene glycol (PEG) for the ultraviolet light and hydrogen peroxide AOP. We demonstrated that the on-the-fly KMC model can achieve the same accuracy as the computer-based first-principles KMC (CF-KMC) model, which has already been validated in our earlier work. The on-the-fly KMC is particularly suitable for molecules with large molecular weights (e.g., polymers) because the degradation mechanisms for large molecules can result in hundreds of thousands to even millions of reactions. The ordinary differential equations (ODEs) that describe the degradation pathways cannot be solved using traditional numerical methods, but the KMC can solve these equations.

  11. Simulation of coal low-temperature oxidation heating process in gob with “U+L” ventilation

    Zhou Pei Ling

    2016-01-01

    Full Text Available In a gob with U + L ventilation, a tail roadway exists, which has important effects on the oxidation heating process and gas concentration in gob areas. Research on the heating process and gas concentration in the “U+L” ventilation can provide the basis for the prevention of spontaneous combustion, thus, the regularities of the oxidation heating process and gas concentration in gob areas were researched by simulation. Results showed that compared with U ventilation, U + L ventilation caused the high temperature zone and high temperature points in the gob areas to increase in depth and width and to be influenced by the distance between the crossheading of the tail roadway and workface. The heating rate of the high-temperature point in the gob with tail roadway was 1.5 times of that in gob without tail roadway, but was unaffected by the location of the tail roadway. Tail roadway had diversion effects on the airflow, especially near return side and the maximum reduction of gas concentration can be 0.36%.

  12. Reduction of nitrogen oxides from simulated exhaust gas by using plasma-catalytic process

    Mok, Young Sun; Koh, Dong Jun; Shin, Dong Nam; Kim, Kyong Tae

    2004-01-01

    Removal of nitrogen oxides (NO x ) using a nonthermal plasma reactor (dielectric-packed bed reactor) combined with monolith V 2 O 5 /TiO 2 catalyst was investigated. The effect of initial NO x concentration, feed gas flow rate (space velocity), humidity, and reaction temperature on the removal of NO x was examined. The plasma reactor used can be energized by either ac or pulse voltage. An attempt was made to utilize the electrical ignition system of an internal combustion engine as a high-voltage pulse generator for the plasma reactor. When the plasma reactor was energized by the electrical ignition system, NO was readily oxidized to NO 2 . Performance was as good as with ac energization. Increasing the fraction of NO 2 in NO x , which is the main role of the plasma reactor, largely enhanced the NO x removal efficiency. In the plasma-catalytic reactor, the increases in initial NO x concentration, space velocity (feed gas flow rate) and humidity lowered the NO x removal efficiency. However, the reaction temperature in the range up to 473 K did not significantly affect the NO x removal efficiency in the presence of plasma discharge

  13. Computer simulation of oxides

    Rowley, A.

    1998-01-01

    An ionic interaction model is developed which accounts for the effects of the ionic environment upon the electron densities of both cations and anions through changes in their size and shape and is transferable between materials. These variations are represented by additional dynamical variables which are handled within the model using the techniques of the Car-Parrinello method. The model parameters are determined as far as possible by input from external ab initio electronic structure calculations directed at examining the individual effects of the ionic environment upon the ions, particularly the oxide ion. Techniques for the evaluation of dipolar and quadrupolar Ewald sums in non-cubic simulation cells and the calculation of the pressure due to the terms in the potential are presented. This model is applied to the description of the perfect crystal properties and phonon dispersion curves of MgO. Consideration of the high symmetry phonon modes allows parameterization of the remaining model parameters in an unambiguous fashion. The same procedure is used to obtain parameters for CaO. These two parameter sets are examined to determine how they may be used to generate the parameters for SrO and simple scaling relationships based on ionic radii and polarizabilities are formulated. The transferability of the model to Cr 2 O 3 is investigated using parameters generated from the alkaline earth oxides. The importance of lower symmetry model terms, particularly quadrupolar interactions, at the low symmetry ion sites in the crystal structure is demonstrated. The correct ground-state crystal structure is predicted and the calculated surface energies and relaxation phenomena are found to agree well with previous ab initio studies. The model is applied to GeO 2 as a strong test of its applicability to ion environments far different from those encountered in MgO. An good description of the crystal structures is obtained and the interplay of dipolar and quadrupolar effects is

  14. The miscibility and oxidation study of the simulated metallic spent fuel for the development of an advanced spent fuel management process

    Shin, Y. J.; You, G. S.; Ju, J. S.; Lee, E. P.; Seo, H. S.; Ahn, S. B. [Korea Atomic Energy Research Institute, Taejeon (Korea)

    1999-03-01

    The simulated metallic spent fuel ingots were fabricated and evaluated the oxidation rates and the activation energies under several temperature conditions to develop an advanced spent fuel management process. It was also checked the immiscibility of the some elements with metal uranium. 2 refs., 45 figs. (Author)

  15. Business process simulation

    Aalst, van der W.M.P.; Nakatumba, J.; Rozinat, A.; Russell, N.C.; Brocke, vom J.; Rosemann, M.

    2010-01-01

    Although simulation is typically considered as relevant and highly applicable, in reality the use of simulation is limited. Many organizations have tried to use simulation to analyze their business processes at some stage. However, few are using simulation in a structured and effective manner. This

  16. AN ADVANCED OXIDATION PROCESS : FENTON PROCESS

    Engin GÜRTEKİN

    2008-03-01

    Full Text Available Biological wastewater treatment is not effective treatment method if raw wastewater contains toxic and refractory organics. Advanced oxidation processes are applied before or after biological treatment for the detoxification and reclamation of this kind of wastewaters. The advanced oxidation processes are based on the formation of powerful hydroxyl radicals. Among advanced oxidation processes Fenton process is one of the most promising methods. Because application of Fenton process is simple and cost effective and also reaction occurs in a short time period. Fenton process is applied for many different proposes. In this study, Fenton process was evaluated as an advanced oxidation process in wastewater treatment.

  17. Cryogenic process simulation

    Panek, J.; Johnson, S.

    1994-01-01

    Combining accurate fluid property databases with a commercial equation-solving software package running on a desktop computer allows simulation of cryogenic processes without extensive computer programming. Computer simulation can be a powerful tool for process development or optimization. Most engineering simulations to date have required extensive programming skills in languages such as Fortran, Pascal, etc. Authors of simulation code have also usually been responsible for choosing and writing the particular solution algorithm. This paper describes a method of simulating cryogenic processes with a commercial software package on a desktop personal computer that does not require these traditional programming tasks. Applications include modeling of cryogenic refrigerators, heat exchangers, vapor-cooled power leads, vapor pressure thermometers, and various other engineering problems

  18. Partial oxidation process

    Najjar, M.S.

    1987-01-01

    A process is described for the production of gaseous mixtures comprising H/sub 2/+CO by the partial oxidation of a fuel feedstock comprising a heavy liquid hydrocarbonaceous fuel having a nickel, iron, and vanadium-containing ash or petroleum coke having a nickel, iron, and vanadium-containing ash, or mixtures thereof. The feedstock includes a minimum of 0.5 wt. % of sulfur and the ash includes a minimum of 5.0 wt. % vanadium, a minimum of 0.5 ppm nickel, and a minimum of 0.5 ppm iron. The process comprises: (1) mixing together a copper-containing additive with the fuel feedstock; wherein the weight ratio of copper-containing additive to ash in the fuel feedstock is in the range of about 1.0-10.0, and there is at least 10 parts by weight of copper for each part by weight of vanadium; (2) reacting the mixture from (1) at a temperature in the range of 2200 0 F to 2900 0 F and a pressure in the range of about 5 to 250 atmospheres in a free-flow refactory lined partial oxidation reaction zone with a free-oxygen containing gas in the presence of a temperature moderator and in a reducing atmosphere to produce a hot raw effluent gas stream comprising H/sub 2/+CO and entrained molten slag; and where in the reaction zone and the copper-containing additive combines with at least a portion of the nickel and iron constituents and sulfur found in the feedstock to produce a liquid phase washing agent that collects and transports at least a portion of the vanadium-containing oxide laths and spinels and other ash components and refractory out of the reaction zone; and (3) separating nongaseous materials from the hot raw effluent gas stream

  19. Business process simulation revisited

    Aalst, van der W.M.P.; Barjis, J.

    2010-01-01

    Computer simulation attempts to "mimic" real-life or hypothetical behavior on a computer to see how processes or systems can be improved and to predict their performance under different circumstances. Simulation has been successfully applied in many disciplines and is considered to be a relevant and

  20. Simulation of Working Processes in the Water-Tube Boiler Furnace with the Purpose of Reducing Emissions of Nitrogen Oxides

    Redko A.A.

    2017-04-01

    Full Text Available A significant number of domestic and industrial boilers are in operation in Ukraine. Nitrogen oxides are the most dangerous among all combustion products that pollute the atmosphere, therefore, one should take some measures for decreasing the formation of nitrogen oxides during combustion. The studies were carried out at the boilers of low power (100 kW with a tubular radiator and an open end. The studies in the furnaces of industrial steam boilers having a tubular radiator with a closed end have not been done. The numerical study results of the gaseous fuel combustion processes in the furnace of a DE-10/14 steam water-tube boiler are presented. The fuel-air mixture is formed by premixing the 15% part of the air with a primary burner twist factor n=2.4 and a secondary burner twist factor n=1.6, and an air excess factor αв=10. As a result of the studies, the temperature and velocity distributions of gases in the combustion chamber, the density of heat flows on the screen tubular surfaces, and the concentrations of the combustion components were determined. Flue gas recirculation in the volume of 80-100% is provided, and the reversible movement of combustion products towards the combustion front provides a reduction in the concentration of nitrogen oxides up to 123-125 mg/m3 at the furnace outlet. Disadvantages are the following: the formation of stagnant zones near the end of the secondary radiator. The optimum diameter of the tubular radiator equals to two burners diameters and tubular radiator is located at a distance of one meter from the burner cutoff.

  1. SIMULATION OF LOGISTICS PROCESSES

    Yu. Taranenko

    2016-08-01

    Full Text Available The article deals with the theoretical basis of the simulation. The study shows the simulation of logistic processes in industrial countries is an integral part of many economic projects aimed at the creation or improvement of logistics systems. The paper was used model Beer Game for management of logistics processes in the enterprise. The simulation model implements in AnyLogic package. AnyLogic product allows us to consider the logistics processes as an integrated system, which allows reaching better solutions. Logistics process management involves pooling the sales market, production and distribution to ensure the temporal level of customer service at the lowest cost overall. This made it possible to conduct experiments and to determine the optimal size of the warehouse at the lowest cost.

  2. Range Process Simulation Tool

    Phillips, Dave; Haas, William; Barth, Tim; Benjamin, Perakath; Graul, Michael; Bagatourova, Olga

    2005-01-01

    Range Process Simulation Tool (RPST) is a computer program that assists managers in rapidly predicting and quantitatively assessing the operational effects of proposed technological additions to, and/or upgrades of, complex facilities and engineering systems such as the Eastern Test Range. Originally designed for application to space transportation systems, RPST is also suitable for assessing effects of proposed changes in industrial facilities and large organizations. RPST follows a model-based approach that includes finite-capacity schedule analysis and discrete-event process simulation. A component-based, scalable, open architecture makes RPST easily and rapidly tailorable for diverse applications. Specific RPST functions include: (1) definition of analysis objectives and performance metrics; (2) selection of process templates from a processtemplate library; (3) configuration of process models for detailed simulation and schedule analysis; (4) design of operations- analysis experiments; (5) schedule and simulation-based process analysis; and (6) optimization of performance by use of genetic algorithms and simulated annealing. The main benefits afforded by RPST are provision of information that can be used to reduce costs of operation and maintenance, and the capability for affordable, accurate, and reliable prediction and exploration of the consequences of many alternative proposed decisions.

  3. Computerized simulation of converter process

    Jalkanen, H; Suomi, M L; Wallgren, M [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Metallurgy

    1997-12-31

    Converter process is essentially an oxidising refining process aiming in addition to (1) the primary refining action, decarburisation of high carbon iron melt, also to (2) maximal elimination of impurity elements, especially silicon, phosphorus and sulphur, (3) melting of substantial amounts of scrap using the extra heat released in oxidation reactions and (4) to exact final steel temperature control, optimal for further treatments. `Quantitative modelling of such a complex non-stationary chemical process as oxygen converting necessitates extensive formulation of chemical and thermal evolution of the process in connection with the technological properties of the reactor and the process control measures. A comprehensive converter simulation program like CONSIM-3. 1 and its preceding versions that is based on the theoretical and practical knowledge on the process can be used for (1) educating specialists and smelter personnel, (2) planning of the blowing programs, (3) developing and testing of process control systems and after some elaboration and restructuring (4) it can be integrated to static or dynamic process control systems. (orig.) SULA 2 Research Programme; 10 refs.

  4. Computerized simulation of converter process

    Jalkanen, H.; Suomi, M.L.; Wallgren, M. [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Metallurgy

    1996-12-31

    Converter process is essentially an oxidising refining process aiming in addition to (1) the primary refining action, decarburisation of high carbon iron melt, also to (2) maximal elimination of impurity elements, especially silicon, phosphorus and sulphur, (3) melting of substantial amounts of scrap using the extra heat released in oxidation reactions and (4) to exact final steel temperature control, optimal for further treatments. `Quantitative modelling of such a complex non-stationary chemical process as oxygen converting necessitates extensive formulation of chemical and thermal evolution of the process in connection with the technological properties of the reactor and the process control measures. A comprehensive converter simulation program like CONSIM-3. 1 and its preceding versions that is based on the theoretical and practical knowledge on the process can be used for (1) educating specialists and smelter personnel, (2) planning of the blowing programs, (3) developing and testing of process control systems and after some elaboration and restructuring (4) it can be integrated to static or dynamic process control systems. (orig.) SULA 2 Research Programme; 10 refs.

  5. Perfect simulation of Hawkes processes

    Møller, Jesper; Rasmussen, Jakob Gulddahl

    This article concerns a perfect simulation algorithm for unmarked and marked Hawkes processes. The usual stratihtforward simulation algorithm suffers from edge effects, whereas our perfect simulation algorithm does not. By viewing Hawkes processes as Poisson cluster processes and using...... their branching and conditional independence structure, useful approximations of the distribution function for the length of a cluster are derived. This is used to construct upper and lower processes for the perfect simulation algorithm. Examples of applications and empirical results are presented....

  6. Ornstein-Uhlenbeck Processes Simulation

    Kuzmina, A.

    2012-01-01

    In this paper we give a brief introduction to Ornstein-Uhlenbeck processes and their simulation methods. Ornstein-Uhlenbeck processes were introduced by Barndorff-Nielsen and Shephard (2001) as a model to describe volatility in finance. Ornstein-Uhlenbeck processes are based on Levy processes. Levy processes simulation may be found in [1, 2].

  7. Perfect simulation of Hawkes processes

    Møller, Jesper; Rasmussen, Jakob Gulddahl

    2005-01-01

    Our objective is to construct a perfect simulation algorithm for unmarked and marked Hawkes processes. The usual straightforward simulation algorithm suffers from edge effects, whereas our perfect simulation algorithm does not. By viewing Hawkes processes as Poisson cluster processes and using...... their branching and conditional independence structures, useful approximations of the distribution function for the length of a cluster are derived. This is used to construct upper and lower processes for the perfect simulation algorithm. A tail-lightness condition turns out to be of importance...... for the applicability of the perfect simulation algorithm. Examples of applications and empirical results are presented....

  8. Iron promotion of the TiO2 photosensitization process towards the photocatalytic oxidation of azo dyes under solar-simulated light irradiation

    Castro, Camilo A.; Centeno, Aristobulo; Giraldo, Sonia A.

    2011-01-01

    Highlights: → Azo dye photooxidation occurs under strict combination of ultraviolet and visible irradiation of Fe-TiO 2 . → Fe 3+ enhances the TiO 2 photooxidation of azo dyes while decreases that of phenol. → UV irradiation leads to a decrease in photooxidation activity of Fe-TiO 2 photocatalysts. - Abstract: The photocatalytic oxidation of the azo dye Orange-II (Or-II) using Fe loaded TiO 2 (Fe-TiO 2 ) was studied under ultraviolet (UV), visible (vis) and simultaneous UV-vis irradiations using a solar light simulator. Photocatalysts were characterized by means of XRD, SEM-EDX, FTIR and DRS. Fe 3+ species, identified in XPS analyses, were responsible of the increased absorption of visible light. Moreover, DRS analyses showed a decrease in the bandgap due to Fe 3+ loading. Photocatalystic tests proved that Fe modification enhanced the TiO 2 photocatalytic activity towards Or-II photodegradation under simultaneous UV-vis irradiation. Even so, the performance of the Fe-TiO 2 samples towards the photodegradation of phenol, under UV irradiation, was lower than TiO 2 suggesting the recombination of the UV photogenerated electron-hole pair. Therefore, results evidence a Fe 3+ promotion of the electron caption in the photosensitization process of TiO 2 by Or-II acting as a sensitizer. Such process leads to the Or-II photooxidation under UV-vis irradiation by losing energy in electron transferring processes to sensitize TiO 2 , and, the formation of reactive oxygen species promoted by the injected electron to the TiO 2 conduction band.

  9. Approximate simulation of Hawkes processes

    Møller, Jesper; Rasmussen, Jakob Gulddahl

    This article concerns a simulation algorithm for unmarked and marked Hawkes processes. The algorithm suffers from edge effects but is much faster than the perfect simulation algorithm introduced in our previous work. We derive various useful measures for the error committed when using the algorithm......, and we discuss various empirical results for the algorithm compared with perfect simulations....

  10. Approximate simulation of Hawkes processes

    Møller, Jesper; Rasmussen, Jakob Gulddahl

    2006-01-01

    Hawkes processes are important in point process theory and its applications, and simulation of such processes are often needed for various statistical purposes. This article concerns a simulation algorithm for unmarked and marked Hawkes processes, exploiting that the process can be constructed...... as a Poisson cluster process. The algorithm suffers from edge effects but is much faster than the perfect simulation algorithm introduced in our previous work Møller and Rasmussen (2004). We derive various useful measures for the error committed when using the algorithm, and we discuss various empirical...... results for the algorithm compared with perfect simulations. Extensions of the algorithm and the results to more general types of marked point processes are also discussed....

  11. Processing of effluent salt from the direct oxide reduction process

    Mishra, B.; Olson, D.L.

    1992-01-01

    The production of reactive metals by Direct Oxide Reduction (DOR) process using calcium in a molten calcium salt system generates significant amount of contaminated waste as calcium oxide saturated calcium chloride salt mix with calcium oxide content of up to 15 wt. pct. Fused salt electrolysis of a simulated salt mix has been carried out to electrowin calcium, which can be recycled to the DOR reactor along with the calcium chloride salt or may be used in-situ in a combined DOR and electrowinning process. Many reactive metal oxides could thus be reduced in a one-step process without generating a significant amount of waste. The process has been optimized in terms of the calcium solubility, cell temperature, current density and the cell design to maximize the current efficiency. Based on the information available regarding the solubility of calcium in calcium chloride salt in the presence of calcium oxide, and the back reactions occurring in-situ between the electrowon calcium and other components present in the cell, e.g. carbon, oxygen, carbon dioxide and calcium oxide, it is difficult to recover elemental calcium within the system. However, a liquid cathode or a rising cathode has been used in the past to recover calcium. The solubility has also been found to depend on the use of graphite as the anode material as evidenced by the presence of calcium carbonate in the final salt. The rate of recovery for metallic calcium has to be enhanced to levels that overcome the back reactions in a system where quick removal of anodic gases is achieved. Calcium has been detected by the hydrogen evolution technique and the amount of calcia has been determined by titration. A porous ceramic sheath has been used in the cell to prevent the chemical reaction of electrowon calcium to produce oxide or carbonate and to prevent the contamination of salt by the anodic carbon

  12. Simulation of salt production process

    Muraveva, E. A.

    2017-10-01

    In this paper an approach to the use of simulation software iThink to simulate the salt production system has been proposed. The dynamic processes of the original system are substituted by processes simulated in the abstract model, but in compliance with the basic rules of the original system, which allows one to accelerate and reduce the cost of the research. As a result, a stable workable simulation model was obtained that can display the rate of the salt exhaustion and many other parameters which are important for business planning.

  13. Microgravity Processing of Oxide Superconductors

    Olive, James R.; Hofmeister, William H.; Bayuzick, Robert J.; Vlasse, Marcus

    1999-01-01

    Considerable effort has been concentrated on the synthesis and characterization of high T(sub c) oxide superconducting materials. The YBaCuO system has received the most intense study, as this material has shown promise for the application of both thin film and bulk materials. There are many problems with the application of bulk materials- weak links, poor connectivity, small coherence length, oxygen content and control, environmental reactivity, phase stability, incongruent melting behavior, grain boundary contamination, brittle mechanical behavior, and flux creep. The extent to which these problems are intrinsic or associated with processing is the subject of controversy. This study seeks to understand solidification processing of these materials, and to use this knowledge for alternative processing strategies, which, at the very least, will improve the understanding of bulk material properties and deficiencies. In general, the phase diagram studies of the YBaCuO system have concentrated on solid state reactions and on the Y2BaCuO(x) + liquid yields YBa2Cu3O(7-delta) peritectic reaction. Little information is available on the complete melting relations, undercooling, and solidification behavior of these materials. In addition, rare earth substitutions such as Nd and Gd affect the liquidus and phase relations. These materials have promising applications, but lack of information on the high temperature phase relations has hampered research. In general, the understanding of undercooling and solidification of high temperature oxide systems lags behind the science of these phenomena in metallic systems. Therefore, this research investigates the fundamental melting relations, undercooling, and solidification behavior of oxide superconductors with an emphasis on improving ground based synthesis of these materials.

  14. Microgravity Processing of Oxide Superconductors

    Hofmeister, William H.; Bayuzick, Robert J.; Vlasse, Marcus; McCallum, William; Peters, Palmer (Technical Monitor)

    2000-01-01

    The primary goal is to understand the microstructures which develop under the nonequilibrium solidification conditions achieved by melt processing in copper oxide superconductor systems. More specifically, to define the liquidus at the Y- 1:2:3 composition, the Nd-1:2:3 composition, and several intermediate partial substitution points between pure Y-1:2:3 and Nd-1:2:3. A secondary goal has been to understand resultant solidification morphologies and pathways under a variety of experimental conditions and to use this knowledge to better characterize solidification phenomena in these systems.

  15. Watershed Simulation of Nutrient Processes

    In this presentation, nitrogen processes simulated in watershed models were reviewed and compared. Furthermore, current researches on nitrogen losses from agricultural fields were also reviewed. Finally, applications with those models were reviewed and selected successful and u...

  16. Oxidation catalysts and process for preparing same

    1980-01-01

    Compounds particularly suitable as oxidation catalysis are described, comprising specified amounts of uranium, antimony and tin as oxides. Processes for making and using the catalysts are described. (U.K.)

  17. Simulation of uranium and plutonium oxides compounds obtained in plasma

    Novoselov, Ivan Yu.; Karengin, Alexander G.; Babaev, Renat G.

    2018-03-01

    The aim of this paper is to carry out thermodynamic simulation of mixed plutonium and uranium oxides compounds obtained after plasma treatment of plutonium and uranium nitrates and to determine optimal water-salt-organic mixture composition as well as conditions for their plasma treatment (temperature, air mass fraction). Authors conclude that it needs to complete the treatment of nitric solutions in form of water-salt-organic mixtures to guarantee energy saving obtainment of oxide compounds for mixed-oxide fuel and explain the choice of chemical composition of water-salt-organic mixture. It has been confirmed that temperature of 1200 °C is optimal to practice the process. Authors have demonstrated that condensed products after plasma treatment of water-salt-organic mixture contains targeted products (uranium and plutonium oxides) and gaseous products are environmental friendly. In conclusion basic operational modes for practicing the process are showed.

  18. Reprocessing process simulation network; PRONET

    Mitsui, T.; Takada, H.; Kamishima, N.; Tsukamoto, T.; Harada, N.; Fujita, N.; Gonda, K.

    1991-01-01

    The effectiveness of simulation technology and its wide application to nuclear fuel reprocessing plants has been recognized recently. The principal aim of applying simulation is to predict the process behavior accurately based on the quantitative relations among substances in physical and chemical phenomena. Mitsubishi Heavy Industries Ltd. has engaged positively in the development and the application study of this technology. All the software products of its recent activities were summarized in the integrated form named 'PRONET'. The PRONET is classified into two independent software groups from the viewpoint of computer system. One is off-line Process Simulation Group, and the other is Dynamic Real-time Simulator Group. The former is called 'PRONET System', and the latter is called 'PRONET Simulator'. These have several subsystems with the prefix 'MR' meaning Mitsubishi Reprocessing Plant. Each MR subsystem is explained in this report. The technical background, the objective of the PRONET, the system and the function of the PRONET, and the future application to an on-line real-time simulator and the development of MR EXPERT are described. (K.I.)

  19. Computer simulation of nonequilibrium processes

    Wallace, D.C.

    1985-07-01

    The underlying concepts of nonequilibrium statistical mechanics, and of irreversible thermodynamics, will be described. The question at hand is then, how are these concepts to be realize in computer simulations of many-particle systems. The answer will be given for dissipative deformation processes in solids, on three hierarchical levels: heterogeneous plastic flow, dislocation dynamics, an molecular dynamics. Aplication to the shock process will be discussed

  20. Photooxidative removal of Hg0 from simulated flue gas using UV/H2O2 advanced oxidation process: Influence of operational parameters

    Zhang, Bo; Zhong, Zhaoping; Ding, Kuan; Yu, Lulu

    2014-01-01

    Element mercury (Hg 0 ) from flue gas is difficult to remove because of its low solubility in water and high volatility. A new technology for photooxidative removal of Hg 0 with an ultraviolet (UV)/H 2 O 2 advanced oxidation process is studied in an efficient laboratory-scale bubble column reactor. Influence of several key operational parameters on Hg 0 removal efficiency is investigated. The results show that an increase in the UV light power, H 2 O 2 initial concentration or H 2 O 2 solution volume will enhance Hg 0 removal. The Hg 0 removal is inhibited by an increase of the Hg 0 initial concentration. The solution initial pH and pH conditioning agent have a remarkable synergistic effect. The highest Hg 0 removal efficiencies are achieved at the UV light power of 36W, H 2 O 2 initial concentration of 0.125 mol/L, Hg 0 initial concentration of 25.3 - g/Nm 3 , solution initial pH of 5, H 2 O 2 solution volume of 600 ml, respectively. In addition, the O 2 percentage has little effect on the Hg 0 removal efficiency. This study is beneficial for the potential practical application of Hg 0 removal from coal-fired flue gas with UV/H 2 O 2 advanced oxidation process

  1. Simulation of the Nitriding Process

    Krukovich, M. G.

    2004-01-01

    Simulation of the nitriding process makes it possible to solve many practical problems of process control, prediction of results, and development of new treatment modes and treated materials. The presented classification systematizes nitriding processes and processes based on nitriding, enables consideration of the theory and practice of an individual process in interrelation with other phenomena, outlines ways for intensification of various process variants, and gives grounds for development of recommendations for controlling the structure and properties of the obtained layers. The general rules for conducting the process and formation of phases in the layer and properties of the treated surfaces are used to create a prediction computational model based on analytical, numerical, and empirical approaches.

  2. PROCESSES OF CHLORINATION OF URANIUM OXIDES

    Rosenfeld, S.

    1958-09-16

    An improvement is described in the process fur making UCl/sub 4/ from uranium oxide and carbon tetrachloride. In that process, oxides of uranium are contacted with carbon tetrachloride vapor at an elevated temperature. It has been fuund that the reaction product and yield are improved if the uranlum oxide charge is disposed in flat trays in the reaction zone, to a depth of not more than 1/2 centimeter.

  3. Accelerated oxidation processes is biodiesel

    Canakci, M.; Monyem, A.; Van Gerpen, J.

    1999-12-01

    Biodiesel is an alternative fuel for diesel engines that can be produced from renewable feedstocks such as vegetable oil and animal fats. These feedstocks are reacted with an alcohol to produce alkyl monoesters that can be used in conventional diesel engines with little or no modification. Biodiesel, especially if produced from highly unsaturated oils, oxidizes more rapidly than diesel fuel. This article reports the results of experiments to track the chemical and physical changes that occur in biodiesel as it oxidizes. These results show the impact of time, oxygen flow rate, temperature, metals, and feedstock type on the rate of oxidation. Blending with diesel fuel and the addition of antioxidants are explored also. The data indicate that without antioxidants, biodiesel will oxidize very quickly at temperatures typical of diesel engines. This oxidation results in increases in peroxide value, acid value, and viscosity. While the peroxide value generally reaches a plateau of about 350 meq/kg ester, the acid value and viscosity increase monotonically as oxidation proceeds.

  4. Plutonium Oxide Process Capability Work Plan

    Meier, David E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Tingey, Joel M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2014-02-28

    Pacific Northwest National Laboratory (PNNL) has been tasked to develop a Pilot-scale Plutonium-oxide Processing Unit (P3U) providing a flexible capability to produce 200g (Pu basis) samples of plutonium oxide using different chemical processes for use in identifying and validating nuclear forensics signatures associated with plutonium production. Materials produced can also be used as exercise and reference materials.

  5. Graphite Oxidation Simulation in HTR Accident Conditions

    El-Genk, Mohamed

    2012-10-19

    Massive air and water ingress, following a pipe break or leak in steam-generator tubes, is a design-basis accident for high-temperature reactors (HTRs). Analysis of these accidents in both prismatic and pebble bed HTRs requires state-of-the-art capability for predictions of: 1) oxidation kinetics, 2) air helium gas mixture stratification and diffusion into the core following the depressurization, 3) transport of multi-species gas mixture, and 4) graphite corrosion. This project will develop a multi-dimensional, comprehensive oxidation kinetics model of graphite in HTRs, with diverse capabilities for handling different flow regimes. The chemical kinetics/multi-species transport model for graphite burning and oxidation will account for temperature-related changes in the properties of graphite, oxidants (O2, H2O, CO), reaction products (CO, CO2, H2, CH4) and other gases in the mixture (He and N2). The model will treat the oxidation and corrosion of graphite in geometries representative of HTR core component at temperatures of 900°C or higher. The developed chemical reaction kinetics model will be user-friendly for coupling to full core analysis codes such as MELCOR and RELAP, as well as computational fluid dynamics (CFD) codes such as CD-adapco. The research team will solve governing equations for the multi-dimensional flow and the chemical reactions and kinetics using Simulink, an extension of the MATLAB solver, and will validate and benchmark the model's predictions using reported experimental data. Researchers will develop an interface to couple the validated model to a commercially available CFD fluid flow and thermal-hydraulic model of the reactor , and will perform a simulation of a pipe break in a prismatic core HTR, with the potential for future application to a pebble-bed type HTR.

  6. ADVANCED OXIDATION PROCESSES (AOX) TEXTILE WASTEWATER

    Salas C., G.

    2014-01-01

    Advanced Oxidation Processes (AOX) are based on the in situ generation of hydroxyradicals (·OH), which have a high oxidation potential. In the case of Fenton processes !he generation of hydroxy radicals takes place by the combination of an oxidation agent (H202) with a catalyst (Fe(II)). These radicals are not selective and they react very fast with the organic matter,being able to oxidize a high variety of organic compounds. This property allows the degradation of pollutants into more biodeg...

  7. Process simulation in digital camera system

    Toadere, Florin

    2012-06-01

    The goal of this paper is to simulate the functionality of a digital camera system. The simulations cover the conversion from light to numerical signal and the color processing and rendering. We consider the image acquisition system to be linear shift invariant and axial. The light propagation is orthogonal to the system. We use a spectral image processing algorithm in order to simulate the radiometric properties of a digital camera. In the algorithm we take into consideration the transmittances of the: light source, lenses, filters and the quantum efficiency of a CMOS (complementary metal oxide semiconductor) sensor. The optical part is characterized by a multiple convolution between the different points spread functions of the optical components. We use a Cooke triplet, the aperture, the light fall off and the optical part of the CMOS sensor. The electrical part consists of the: Bayer sampling, interpolation, signal to noise ratio, dynamic range, analog to digital conversion and JPG compression. We reconstruct the noisy blurred image by blending different light exposed images in order to reduce the photon shot noise, also we filter the fixed pattern noise and we sharpen the image. Then we have the color processing blocks: white balancing, color correction, gamma correction, and conversion from XYZ color space to RGB color space. For the reproduction of color we use an OLED (organic light emitting diode) monitor. The analysis can be useful to assist students and engineers in image quality evaluation and imaging system design. Many other configurations of blocks can be used in our analysis.

  8. Numerical simulation of HPT processing

    Verleysen, P; Van den Abeele, F; Degrieck, J

    2014-01-01

    The principle of achieving high strength and superior properties in metal alloys through the application of severe plastic deformation has been exploited in the metal processing industry for many decades. In this contribution finite element simulations are presented of the HPT process. As opposed to most studies in literature, in which rigid sample holders are considered, the real elasto-plastic behavior of the holders is modeled. The simulations show that during the compression stage, plastic deformation occurs in the holders: initially, at the outside boundary of the sample cavity and, at a later stage, underneath the centre of the sample. The latter region of plastic deformation is rapidly growing and has a non-negligible effect on the response of the sample. Major conclusion is that the sample holders, and more specific, their deformability is key for the conditions in the specimen. Indeed, it severely affects important parameters for both the microstructural changes in the sample material, such as the amplitude and distribution of the hydrostatic stress, and its final shape

  9. Microwave processing of ceramic oxide filaments

    Vogt, G.J.; Katz, J.D. [Los Alamos National Laboratory, NM (United States)

    1995-05-01

    The objective of the microwave filament processing project is to develop microwave techniques at 2.45 GHZ to manufacture continuous ceramic oxide filaments. Microwave processing uses the volumetric absorption of microwave power in oxide filament tows to drive off process solvents, to burn out organic binders, and to sinter the dried fibers to produce flexible, high-strength ceramic filaments. The technical goal is to advance filament processing technology by microwave heating more rapidly with less energy and at a lower cost than conventional processing, but with the same quality as conventional processing. The manufacturing goal is to collaborate with the 3M Company, a US manufacturer of ceramic oxide filaments, to evaluate the technology using a prototype filament system and to transfer the microwave technology to the 3M Company.

  10. Processes regulating nitric oxide emissions from soils

    Pilegaard, Kim

    2013-01-01

    , the net result is complex and dependent on several factors such as nitrogen availability, organic matter content, oxygen status, soil moisture, pH and temperature. This paper reviews recent knowledge on processes forming NO in soils and the factors controlling its emission to the atmosphere. Schemes......Nitric oxide (NO) is a reactive gas that plays an important role in atmospheric chemistry by influencing the production and destruction of ozone and thereby the oxidizing capacity of the atmosphere. NO also contributes by its oxidation products to the formation of acid rain. The major sources...

  11. Advanced oxidation processes: overall models

    Rodriguez, M. [Univ. de los Andes, Escuela Basica de Ingenieria, La Hechicera, Merida (Venezuela); Curco, D.; Addardak, A.; Gimenez, J.; Esplugas, S. [Dept. de Ingenieria Quimica. Univ. de Barcelona, Barcelona (Spain)

    2003-07-01

    Modelling AOPs implies to consider all the steps included in the process, that means, mass transfer, kinetic (reaction) and luminic steps. In this way, recent works develop models which relate the global reaction rate to catalyst concentration and radiation absorption. However, the application of such models requires to know what is the controlling step for the overall process. In this paper, a simple method is explained which allows to determine the controlling step. Thus, it is assumed that reactor is divided in two hypothetical zones (dark and illuminated), and according to the experimental results, obtained by varying only the reaction volume, it can be decided if reaction occurs only in the illuminated zone or in the all reactor, including dark zone. The photocatalytic degradation of phenol, by using titania degussa P-25 as catalyst, is studied as reaction model. The preliminary results obtained are presented here, showing that it seems that, in this case, reaction only occurs in the illuminated zone of photoreactor. A model is developed to explain this behaviour. (orig.)

  12. Analogous simulation of nutrient transformation processes in stream ...

    The main transformation processes effected by the natural microbial consortium of upper Iskar River with predominant participation of sediment biofilm were simulated in the laboratory by the use of portable devices (chambers). The dynamics of real heterotrophic respiration, organic matter oxidation, denitrification and ...

  13. Desulfurization of AL-Ahdab Crude Oil using Oxidative Processes

    Neran Khalel Ibrahim; Saja Mohsen Jabbar

    2015-01-01

    Two different oxidative desulfurization strategies based on oxidation/adsorption or oxidation/extraction were evaluated for the desulfurization of AL-Ahdab (AHD) sour crude oil (3.9wt% sulfur content). In the oxidation process, a homogenous oxidizing agent comprising of hydrogen peroxide and formic acid was used. Activated carbons were used as sorbent/catalyst in the oxidation/adsorption process while acetonitrile was used as an extraction solvent in the oxidation/extraction process. For the ...

  14. Supported versus colloidal zinc oxide for advanced oxidation processes

    Laxman, Karthik; Al Rashdi, Manal; Al Sabahi, Jamal; Al Abri, Mohammed; Dutta, Joydeep

    2017-07-01

    Photocatalysis is a green technology which typically utilizes either supported or colloidal catalysts for the mineralization of aqueous organic contaminants. Catalyst surface area and surface energy are the primary factors determining its efficiency, but correlation between the two is still unclear. This work explores their relation and hierarchy in a photocatalytic process involving both supported and colloidal catalysts. In order to do this the active surface areas of supported zinc oxide nanorods (ZnO NR's) and colloidal zinc oxide nanoparticles (having different surface energies) were equalized and their phenol oxidation mechanism and capacity was analyzed. It was observed that while surface energy had subtle effects on the oxidation rate of the catalysts, the degradation efficiency was primarily a function of the surface area; which makes it a better parameter for comparison when studying different catalyst forms of the same material. Thus we build a case for the use of supported catalysts, wherein their catalytic efficiency was tested to be unaltered over several days under both natural and artificial light, suggesting their viability for practical applications.

  15. Process for fabricating mixed-oxide powders

    Elmaleh, D.; Giraudel, A.

    1975-01-01

    A physical-chemical process for fabricating homogeneous powders suitable for sintering is described. It can be applied to the synthesis of all mixed oxides having mutually compatible and water soluble salts. As a specific example, the fabrication of lead titanate-zirconate powders used to make hot pressed ceramics is described. These ceramics show improved piezoelectric properties [fr

  16. Uranium bed oxidation vacuum process system

    McLeland, H.L.

    1977-01-01

    Deuterium and tritium gases are occluded in uranium powder for release into neutron generator tubes. The uranium powder is contained in stainless steel bottles, termed ''beds.'' If these beds become damaged, the gases must be removed and the uranium oxidized in order not to be flammable before shipment to ERDA disposal grounds. This paper describes the system and methods designed for the controlled degassing and oxidation process. The system utilizes sputter-ion, cryo-sorption and bellows pumps for removing the gases from the heated source bed. Removing the tritium gas is complicated by the shielding effect of helium-3, a byproduct of tritium decay. This effect is minimized by incremental pressure changes, or ''batch'' processing. To prevent runaway exothermic reaction, oxidation of the uranium bed is also done incrementally, or by ''batch'' processing, rather than by continuous flow. The paper discusses in detail the helium-3 shielding effect, leak checks that must be made during processing, bed oxidation, degree of gas depletion, purity of gases sorbed from beds, radioactivity of beds, bed disposal and system renovation

  17. Discrete Event System Based Pyroprocessing Modeling and Simulation: Oxide Reduction

    Lee, H. J.; Ko, W. I.; Choi, S. Y.; Kim, S. K.; Hur, J. M.; Choi, E. Y.; Im, H. S.; Park, K. I.; Kim, I. T.

    2014-01-01

    Dynamic changes according to the batch operation cannot be predicted in an equilibrium material flow. This study began to build a dynamic material balance model based on the previously developed pyroprocessing flowsheet. As a mid- and long-term research, an integrated pyroprocessing simulator is being developed at the Korea Atomic Energy Research Institute (KAERI) to cope with a review on the technical feasibility, safeguards assessment, conceptual design of facility, and economic feasibility evaluation. The most fundamental thing in such a simulator development is to establish the dynamic material flow framework. This study focused on the operation modeling of pyroprocessing to implement a dynamic material flow. As a case study, oxide reduction was investigated in terms of a dynamic material flow. DES based modeling was applied to build a pyroprocessing operation model. A dynamic material flow as the basic framework for an integrated pyroprocessing was successfully implemented through ExtendSim's internal database and item blocks. Complex operation logic behavior was verified, for example, an oxide reduction process in terms of dynamic material flow. Compared to the equilibrium material flow, a model-based dynamic material flow provides such detailed information that a careful analysis of every batch is necessary to confirm the dynamic material balance results. With the default scenario of oxide reduction, the batch mass balance was verified in comparison with a one-year equilibrium mass balance. This study is still under progress with a mid-and long-term goal, the development of a multi-purpose pyroprocessing simulator that is able to cope with safeguards assessment, economic feasibility, technical evaluation, conceptual design, and support of licensing for a future pyroprocessing facility

  18. Validation process of simulation model

    San Isidro, M. J.

    1998-01-01

    It is presented a methodology on empirical validation about any detailed simulation model. This king of validation it is always related with an experimental case. The empirical validation has a residual sense, because the conclusions are based on comparisons between simulated outputs and experimental measurements. This methodology will guide us to detect the fails of the simulation model. Furthermore, it can be used a guide in the design of posterior experiments. Three steps can be well differentiated: Sensitivity analysis. It can be made with a DSA, differential sensitivity analysis, and with a MCSA, Monte-Carlo sensitivity analysis. Looking the optimal domains of the input parameters. It has been developed a procedure based on the Monte-Carlo methods and Cluster techniques, to find the optimal domains of these parameters. Residual analysis. This analysis has been made on the time domain and on the frequency domain, it has been used the correlation analysis and spectral analysis. As application of this methodology, it is presented the validation carried out on a thermal simulation model on buildings, Esp., studying the behavior of building components on a Test Cell of LECE of CIEMAT. (Author) 17 refs

  19. Business process simulation - tool survey

    Jansen-Vullers, M.H.; Netjes, M.; Jensen, K.

    2006-01-01

    In the nineties, more and more attention was raised for process oriented analysis of the performance of companies. Nowadays, many process aware information systems are implemented (e.g., workflow management systems) and business processes are evaluated and redesigned. The discipline related to this

  20. Signal Processing and Neural Network Simulator

    Tebbe, Dennis L.; Billhartz, Thomas J.; Doner, John R.; Kraft, Timothy T.

    1995-04-01

    The signal processing and neural network simulator (SPANNS) is a digital signal processing simulator with the capability to invoke neural networks into signal processing chains. This is a generic tool which will greatly facilitate the design and simulation of systems with embedded neural networks. The SPANNS is based on the Signal Processing WorkSystemTM (SPWTM), a commercial-off-the-shelf signal processing simulator. SPW provides a block diagram approach to constructing signal processing simulations. Neural network paradigms implemented in the SPANNS include Backpropagation, Kohonen Feature Map, Outstar, Fully Recurrent, Adaptive Resonance Theory 1, 2, & 3, and Brain State in a Box. The SPANNS was developed by integrating SAIC's Industrial Strength Neural Networks (ISNN) Software into SPW.

  1. Measuring oxidation processes: Atomic oxygen flux monitor

    Anon.

    1991-01-01

    Of the existing 95 high-energy accelerators in the world, the Stanford Linear Collider (SLC) at the Stanford Linear Accelerator Center (SLAC) is the only one of the linear-collider type, where electrons and positrons are smashed together at energies of 50 GeV using linear beams instead of beam rings for achieving interactions. Use of a collider eliminates energy losses in the form of x-rays due to the curved trajectory of the rings, a phenomena known as bremsstrauhlung. Because these losses are eliminated, higher interaction energies are reached. Consequently the SLC produced the first Z particle in quantities large enough to allow measurement of its physical properties with some accuracy. SLAC intends to probe still deeper into the structure of matter by next polarizing the electrons in the beam. The surface of the source for these polarized particles, typically gallium arsenide, must be kept clean of contaminants. One method for accomplishing this task requires the oxidation of the surface, from which the oxidized contaminants are later boiled off. The technique requires careful measurement of the oxidation process. SLAC researchers have developed a technique for measuring the atomic oxygen flux in this process. The method uses a silver film on a quartz-crystal, deposition-rate monitor. Measuring the initial oxidation rate of the silver, which is proportional to the atomic oxygen flux, determines a lower limit on that flux in the range of 10 13 to 10 17 atoms per square centimeter per second. Furthermore, the deposition is reversible by exposing the sensor to atomic hydrogen. This technique has wider applications to processes in solid-state and surface physics as well as surface chemistry. In semiconductor manufacturing where a precise thickness of oxide must be deposited, this technique could be used to monitor the critical flux of atomic oxygen in the process

  2. Simulation of the styrene production process via catalytic dehydrogenation of ethylbenzene using CHEMCAD® process simulator

    Pérez-Sánchez, Amaury; Sánchez, Eddy Javier Pérez; Segura Silva, Rutdali María

    2017-01-01

    Abstract Background: Process simulation has been extensively used in recent years to design, evaluate or optimize processes, systems and specific operations of the chemical industry and its related disciplines. Currently, CHEMCAD® constitute one of the most used process simulators because of the great number of chemical and petrochemical processes that can be simulated. Method: The simulation of the production process of styrene via catalytic dehydrogenation of ethyl-benzene is carried ou...

  3. Simulation of the styrene production process via catalytic dehydrogenation of ethylbenzene using CHEMCAD® process simulator

    Amaury Pérez Sánchez; Eddy Javier Pérez Sánchez; Rutdali María Segura Silva

    2017-01-01

    Background: Process simulation has been extensively used in recent years to design, evaluate or optimize processes, systems and specific operations of the chemical industry and its related disciplines. Currently, CHEMCAD® constitute one of the most used process simulators because of the great number of chemical and petrochemical processes that can be simulated. Method: The simulation of the production process of styrene via catalytic dehydrogenation of ethyl-benzene is carried out by usin...

  4. Design of penicillin fermentation process simulation system

    Qi, Xiaoyu; Yuan, Zhonghu; Qi, Xiaoxuan; Zhang, Wenqi

    2011-10-01

    Real-time monitoring for batch process attracts increasing attention. It can ensure safety and provide products with consistent quality. The design of simulation system of batch process fault diagnosis is of great significance. In this paper, penicillin fermentation, a typical non-linear, dynamic, multi-stage batch production process, is taken as the research object. A visual human-machine interactive simulation software system based on Windows operation system is developed. The simulation system can provide an effective platform for the research of batch process fault diagnosis.

  5. Molten salts processes and generic simulation

    Ogawa, Toru; Minato, Kazuo

    2001-01-01

    Development of dry separation process (pyrochemical process) using molten salts for the application of spent-nuclear fuel reprocessing requires a rather complete fundamental database as well as process simulation technique with wide applicability. The present report concerns recent progress and problems in this field taking behaviors of co-electrodeposition of UO 2 and PuO 2 in molten salts as an example, and using analytical simulation of local equilibrium combined with generic diffusion. (S. Ohno)

  6. Decision process simulation in training systems

    Zajtsev, K.S.; Serov, A.A.; Ajnutdinov, V.A.

    1984-01-01

    One of the approaches to arrangement of training process an automated trainning systems (ATS) based on actjve use of knowledge of experienced operators is presented. Problems of mathematical model simulatjon of decision process by people not having special knowledge in mathematics are considered. A language of solution tables based on indistinct tables is suggested to the used as a simulation language. The problem of automation of decision process simulation in ATS is solued

  7. Molten salts processes and generic simulation

    Ogawa, Toru; Minato, Kazuo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2001-12-01

    Development of dry separation process (pyrochemical process) using molten salts for the application of spent-nuclear fuel reprocessing requires a rather complete fundamental database as well as process simulation technique with wide applicability. The present report concerns recent progress and problems in this field taking behaviors of co-electrodeposition of UO{sub 2} and PuO{sub 2} in molten salts as an example, and using analytical simulation of local equilibrium combined with generic diffusion. (S. Ohno)

  8. Hybrid process for nitrogen oxides reduction

    Epperly, W.R.; Sprague, B.N.

    1991-09-10

    This patent describes a process for reducing the nitrogen oxide concentration in the effluent from the combustion of a carbonaceous fuel. It comprises introducing into the effluent a first treatment agent comprising a nitrogenous composition selected from the group consisting of urea, ammonia, hexamethylenetetramine, ammonium salts of organic acids, 5- or 6-membered heterocyclic hydrocarbons having at least one cyclic nitrogen, hydroxy amino hydrocarbons, NH{sub 4}-lignosulfonate, fur-furylamine, tetrahydrofurylamine, hexamethylenediamine, barbituric acid, guanidine, guanidine carbonate, biguanidine, guanylurea sulfate, melamine, dicyandiamide, biuret, 1.1{prime}-azobisformamide, methylol urea, methylol urea-urea condensation product, dimethylol urea, methyl urea, dimethyl urea, calcium cyanamide, and mixtures thereof under conditions effective to reduce the nitrogen oxides concentration and ensure the presence of ammonia in the effluent; introducing into the effluent a second treatment agent comprising an oxygenated hydrocarbon at an effluent temperature of about 500{degrees} F. to about 1600{degrees} F. under conditions effective to oxidize nitric oxide in the effluent to nitrogen dioxide and ensure the presence of ammonia at a weight ratio of ammonia to nitrogen dioxide of about 1:5 to about 5:1; and contacting the effluent with an aqueous scrubbing solution having a pH of 12 or lower under conditions effective to cause nitrogen dioxide to be absorbed therein.

  9. Software-Engineering Process Simulation (SEPS) model

    Lin, C. Y.; Abdel-Hamid, T.; Sherif, J. S.

    1992-01-01

    The Software Engineering Process Simulation (SEPS) model is described which was developed at JPL. SEPS is a dynamic simulation model of the software project development process. It uses the feedback principles of system dynamics to simulate the dynamic interactions among various software life cycle development activities and management decision making processes. The model is designed to be a planning tool to examine tradeoffs of cost, schedule, and functionality, and to test the implications of different managerial policies on a project's outcome. Furthermore, SEPS will enable software managers to gain a better understanding of the dynamics of software project development and perform postmodern assessments.

  10. Organic waste processing using molten salt oxidation

    Adamson, M. G., LLNL

    1998-03-01

    Molten Salt Oxidation (MSO) is a thermal means of oxidizing (destroying) the organic constituents of mixed wastes, hazardous wastes, and energetic materials while retaining inorganic and radioactive constituents in the salt. For this reason, MSO is considered a promising alternative to incineration for the treatment of a variety of organic wastes. The U. S. Department of Energy`s Office of Environmental Management (DOE/EM) is currently funding research that will identify alternatives to incineration for the treatment of organic-based mixed wastes. (Mixed wastes are defined as waste streams which have both hazardous and radioactive properties.) One such project is Lawrence Livermore National Laboratory`s Expedited Technology Demonstration of Molten Salt Oxidation (MSO). The goal of this project is to conduct an integrated demonstration of MSO, including off-gas and spent salt treatment, and the preparation of robust solid final forms. Livermore National Laboratory (LLNL) has constructed an integrated pilot-scale MSO treatment system in which tests and demonstrations are presently being performed under carefully controlled (experimental) conditions. The system consists of a MSO process vessel with dedicated off-gas treatment, a salt recycle system, feed preparation equipment, and equipment for preparing ceramic final waste forms. In this paper we describe the integrated system and discuss its capabilities as well as preliminary process demonstration data. A primary purpose of these demonstrations is to identify the most suitable waste streams and waste types for MSO treatment.

  11. Catalysed electrolytic metal oxide dissolution processes

    Machuron-Mandard, X.

    1994-01-01

    The hydrometallurgical processes designed for recovering valuable metals from mineral ores as well as industrial wastes usually require preliminary dissolution of inorganic compounds in aqueous media before extraction and purification steps. Unfortunately, most of the minerals concerned hardly or slowly dissolve in acidic or basic solutions. Metallic oxides, sulfides and silicates are among the materials most difficult to dissolve in aqueous solutions. They are also among the main minerals containing valuable metals. The redox properties of such materials sometimes permit to improve their dissolution by adding oxidizing or reducing species to the leaching solution, which leads to an increase in the dissolution rate. Moreover, limited amounts of redox promoters are required if the redox agent is regenerated continuously thanks to an electrochemical device. Nuclear applications of such concepts have been suggested since the dissolution of many actinide compounds (e.g., UO 2 , AmO 2 , PuC, PuN,...) is mainly based on redox reactions. In the 1980s, improvements of the plutonium dioxide dissolution process have been proposed on the basis of oxidation-reduction principles, which led a few years later to the design of industrial facilities (e.g., at Marcoule or at the french reprocessing plant of La Hague). General concepts and well-established results obtained in France at the Atomic Energy Commission (''Commissariat a l'Energie Atomique'') will be presented and will illustrate applications to industrial as well as analytical problems. (author)

  12. Delay oil oxidation during frying process

    Atta, N.M.M.; Shams Eldin, N.M.M.

    2010-01-01

    Blend oil (mixed of refined sunflower and soy beans oils 1:1 w/w) containing add 200 ppm of rosemary leaves methanolic extract (rosemary extract) (RE) and 3% refined rice bran oil (RRBO), were used in frying process at 1800 degree c for 5 hrs/ day, four consecutive days to delay oil oxidation during frying. Therefore, rosemary extract (methanolic extract) was analyzed by HPLC technique for identification of flavonoids compounds (as a specific active compounds; gives high protection to frying oil). Physical and chemical properties, including refractive index(RI). Red color unit (R), viscosity, acidity (FFA), peroxide value (PV), iodine value (IV) oxidized fatty acid (OFA), polymer content (PC), total polar components (TPC) and trans fatty acid (TFA) as eliadic acid were determined. The results indicated that; rosemary extract contained about eight flavonoids compounds (hypersoid, rutin, 3-OH flavon, luleotin, kempferol, sakarutin, querectrin and apeginin). Addition of RE or RRBO to frying oil caused delay oil oxidation during frying process compared with frying oil without any addition. Also, the results indicated that rosemary extract was more effective in reducing formation of PV, FFA, OFA, PC, TPC and TFA in frying oil than refined rice bran oil

  13. Investigation of the Scanning Microarc Oxidation Process

    Lingqin Xia

    2017-01-01

    Full Text Available Scanning microarc oxidation (SMAO is a coating process which is based on conventional microarc oxidation (MAO. The key difference is that deposition in SMAO is achieved by using a stainless steel nozzle to spray an electrolyte stream on the substrate surface as opposed to immersing the workpiece in an electrolyzer. In the present study, SMAO discharge characteristics, coating morphology, and properties are analyzed and compared to results obtained from MAO under similar conditions. Results show that MAO and SMAO have comparable spark and microarc lifetimes and sizes, though significant differences in incubation time and discharge distribution were evident. Results also showed that the voltage and current density for MAO and SMAO demonstrate similar behavior but have markedly different transient and steady-state values. Results obtained from coating A356 aluminum sheet show that oxide thickness and growth rate in SMAO are strongly dependent on interelectrode spacing and travel speed. Analysis of the SMAO coating morphology and structure showed that a denser and slightly harder layer was deposited in comparison to MAO and is attributed to reduced porosity and increased formation of α-Al2O3. Preliminary results indicate that SMAO represents a viable process for coating of aluminum surfaces.

  14. Experimental and simulation analysis of hydrogen production by partial oxidation of methanol

    Sikander, U. [National Univ. of Science and Technology, Islamabad (Pakistan)

    2014-10-15

    Partial oxidation of methanol is the only self-sustaining process for onboard production of hydrogen. For this a fixed bed catalytic reactor is designed, based on heterogeneous catalytic reaction. To develop an optimized process, simulation is carried out using ASPEN HYSYS v 7.1. Reaction kinetics is developed on the basis of Langmuir Hinshel wood model. 45:55:5 of CuO: ZnO: Al/sub 2/O/sub 3/ is used as a catalyst. Simulation results are studied in detail to understand the phenomenon of partial oxidation of methanol inside the reactor. An experimental rig is developed for hydrogen production through partial oxidation of methanol. Results obtained from process simulation and experimental work; are compared with each other. (author)

  15. Simulating Policy Processes through Electronic Mail.

    Flynn, John P.

    1987-01-01

    Focuses on the use of electronic mail for teaching and learning about social welfare policy processes and compares electronic mail as a simulation medium to more structured computer applications. (Author)

  16. Mesoporous metal oxides and processes for preparation thereof

    Suib, Steven L.; Poyraz, Altug Suleyman

    2018-03-06

    A process for preparing a mesoporous metal oxide, i.e., transition metal oxide. Lanthanide metal oxide, a post-transition metal oxide and metalloid oxide. The process comprises providing an acidic mixture comprising a metal precursor, an interface modifier, a hydrotropic ion precursor, and a surfactant; and heating the acidic mixture at a temperature and for a period of time sufficient to form the mesoporous metal oxide. A mesoporous metal oxide prepared by the above process. A method of controlling nano-sized wall crystallinity and mesoporosity in mesoporous metal oxides. The method comprises providing an acidic mixture comprising a metal precursor, an interface modifier, a hydrotropic ion precursor, and a surfactant; and heating the acidic mixture at a temperature and for a period of time sufficient to control nano-sized wall crystallinity and mesoporosity in the mesoporous metal oxides. Mesoporous metal oxides and a method of tuning structural properties of mesoporous metal oxides.

  17. 3D printing process of oxidized nanocellulose and gelatin scaffold.

    Xu, Xiaodong; Zhou, Jiping; Jiang, Yani; Zhang, Qi; Shi, Hongcan; Liu, Dongfang

    2018-08-01

    For tissue engineering applications tissue scaffolds need to have a porous structure to meet the needs of cell proliferation/differentiation, vascularisation and sufficient mechanical strength for the specific tissue. Here we report the results of a study of the 3D printing process for composite materials based on oxidized nanocellulose and gelatin, that was optimised through measuring rheological properties of different batches of materials after different crosslinking times, simulation of the pneumatic extrusion process and 3D scaffolds fabrication with Solidworks Flow Simulation, observation of its porous structure by SEM, measurement of pressure-pull performance, and experiments aimed at finding out the vitro cytotoxicity and cell morphology. The materials printed are highly porous scaffolds with good mechanical properties.

  18. Development of a mechanistically based computer simulation of nitrogen oxide absorption in packed towers

    Counce, R.M.

    1981-01-01

    A computer simulation for nitrogen oxide (NO/sub x/) scrubbing in packed towers was developed for use in process design and process control. This simulation implements a mechanistically based mathematical model, which was formulated from (1) an exhaustive literature review; (2) previous NO/sub x/ scrubbing experience with sieve-plate towers; and (3) comparisons of sequential sets of experiments. Nitrogen oxide scrubbing is characterized by simultaneous absorption and desorption phenomena: the model development is based on experiments designed to feature these two phenomena. The model was then successfully tested in experiments designed to put it in jeopardy

  19. Simulation software: engineer processes before reengineering.

    Lepley, C J

    2001-01-01

    People make decisions all the time using intuition. But what happens when you are asked: "Are you sure your predictions are accurate? How much will a mistake cost? What are the risks associated with this change?" Once a new process is engineered, it is difficult to analyze what would have been different if other options had been chosen. Simulating a process can help senior clinical officers solve complex patient flow problems and avoid wasted efforts. Simulation software can give you the data you need to make decisions. The author introduces concepts, methodologies, and applications of computer aided simulation to illustrate their use in making decisions to improve workflow design.

  20. General simulation algorithm for autocorrelated binary processes.

    Serinaldi, Francesco; Lombardo, Federico

    2017-02-01

    The apparent ubiquity of binary random processes in physics and many other fields has attracted considerable attention from the modeling community. However, generation of binary sequences with prescribed autocorrelation is a challenging task owing to the discrete nature of the marginal distributions, which makes the application of classical spectral techniques problematic. We show that such methods can effectively be used if we focus on the parent continuous process of beta distributed transition probabilities rather than on the target binary process. This change of paradigm results in a simulation procedure effectively embedding a spectrum-based iterative amplitude-adjusted Fourier transform method devised for continuous processes. The proposed algorithm is fully general, requires minimal assumptions, and can easily simulate binary signals with power-law and exponentially decaying autocorrelation functions corresponding, for instance, to Hurst-Kolmogorov and Markov processes. An application to rainfall intermittency shows that the proposed algorithm can also simulate surrogate data preserving the empirical autocorrelation.

  1. General simulation algorithm for autocorrelated binary processes

    Serinaldi, Francesco; Lombardo, Federico

    2017-02-01

    The apparent ubiquity of binary random processes in physics and many other fields has attracted considerable attention from the modeling community. However, generation of binary sequences with prescribed autocorrelation is a challenging task owing to the discrete nature of the marginal distributions, which makes the application of classical spectral techniques problematic. We show that such methods can effectively be used if we focus on the parent continuous process of beta distributed transition probabilities rather than on the target binary process. This change of paradigm results in a simulation procedure effectively embedding a spectrum-based iterative amplitude-adjusted Fourier transform method devised for continuous processes. The proposed algorithm is fully general, requires minimal assumptions, and can easily simulate binary signals with power-law and exponentially decaying autocorrelation functions corresponding, for instance, to Hurst-Kolmogorov and Markov processes. An application to rainfall intermittency shows that the proposed algorithm can also simulate surrogate data preserving the empirical autocorrelation.

  2. Simulation and experimental approach to CVD-FBR aluminide coatings on ferritic steels under steam oxidation

    Leal, J.; Alcala, G.; Bolivar, F.J.; Sanchez, L.; Hierro, M.P.; Perez, F.J.

    2008-01-01

    The ferritic steels used to produce structural components for steam turbines are susceptible to strong corrosion and creep damage due to the extreme working conditions pushed to increase the process efficiency and to reduce pollutants release. The response of aluminide coatings on the P-92 ferritic steel, deposited by CVD-FBR, during oxidation in a simulated steam environment was studied. The analyses were performed at 650 deg. C in order to simulate the working conditions of a steam turbine, and 800 deg. C in order to produce a critical accelerated oxidation test. The Thermo-Calc software was used to predict the different solid phases that could be generated during the oxidation process, in both, coated and uncoated samples. In order to validate the thermodynamic results, the oxides scales produced during steam tests were characterized by different techniques such as XRD, SEM and EDS. The preliminary results obtained are discussed in the present work

  3. Intelligent medical image processing by simulated annealing

    Ohyama, Nagaaki

    1992-01-01

    Image processing is being widely used in the medical field and already has become very important, especially when used for image reconstruction purposes. In this paper, it is shown that image processing can be classified into 4 categories; passive, active, intelligent and visual image processing. These 4 classes are explained at first through the use of several examples. The results show that the passive image processing does not give better results than the others. Intelligent image processing, then, is addressed, and the simulated annealing method is introduced. Due to the flexibility of the simulated annealing, formulated intelligence is shown to be easily introduced in an image reconstruction problem. As a practical example, 3D blood vessel reconstruction from a small number of projections, which is insufficient for conventional method to give good reconstruction, is proposed, and computer simulation clearly shows the effectiveness of simulated annealing method. Prior to the conclusion, medical file systems such as IS and C (Image Save and Carry) is pointed out to have potential for formulating knowledge, which is indispensable for intelligent image processing. This paper concludes by summarizing the advantages of simulated annealing. (author)

  4. Iterative solvers in forming process simulations

    van den Boogaard, Antonius H.; Rietman, Bert; Huetink, Han

    1998-01-01

    The use of iterative solvers in implicit forming process simulations is studied. The time and memory requirements are compared with direct solvers and assessed in relation with the rest of the Newton-Raphson iteration process. It is shown that conjugate gradient{like solvers with a proper

  5. Atomistic simulations of dislocation processes in copper

    Vegge, T.; Jacobsen, K.W.

    2002-01-01

    We discuss atomistic simulations of dislocation processes in copper based on effective medium theory interatomic potentials. Results on screw dislocation structures and processes are reviewed with particular focus on point defect mobilities and processes involving cross slip. For example......, the stability of screw dislocation dipoles is discussed. We show that the presence of jogs will strongly influence cross slip barriers and dipole stability. We furthermore present some new results on jogged edge dislocations and edge dislocation dipoles. The jogs are found to be extended, and simulations...

  6. Defense Waste Processing Facility Process Simulation Package Life Cycle

    Reuter, K.

    1991-01-01

    The Defense Waste Processing Facility (DWPF) will be used to immobilize high level liquid radioactive waste into safe, stable, and manageable solid form. The complexity and classification of the facility requires that a performance based operator training to satisfy Department of Energy orders and guidelines. A major portion of the training program will be the application and utilization of Process Simulation Packages to assist in training the Control Room Operators on the fluctionality of the process and the application of the Distribution Control System (DCS) in operating and managing the DWPF process. The packages are being developed by the DWPF Computer and Information Systems Simulation Group. This paper will describe the DWPF Process Simulation Package Life Cycle. The areas of package scope, development, validation, and configuration management will be reviewed and discussed in detail

  7. Exact simulation of max-stable processes.

    Dombry, Clément; Engelke, Sebastian; Oesting, Marco

    2016-06-01

    Max-stable processes play an important role as models for spatial extreme events. Their complex structure as the pointwise maximum over an infinite number of random functions makes their simulation difficult. Algorithms based on finite approximations are often inexact and computationally inefficient. We present a new algorithm for exact simulation of a max-stable process at a finite number of locations. It relies on the idea of simulating only the extremal functions, that is, those functions in the construction of a max-stable process that effectively contribute to the pointwise maximum. We further generalize the algorithm by Dieker & Mikosch (2015) for Brown-Resnick processes and use it for exact simulation via the spectral measure. We study the complexity of both algorithms, prove that our new approach via extremal functions is always more efficient, and provide closed-form expressions for their implementation that cover most popular models for max-stable processes and multivariate extreme value distributions. For simulation on dense grids, an adaptive design of the extremal function algorithm is proposed.

  8. Simulation Modeling of Software Development Processes

    Calavaro, G. F.; Basili, V. R.; Iazeolla, G.

    1996-01-01

    A simulation modeling approach is proposed for the prediction of software process productivity indices, such as cost and time-to-market, and the sensitivity analysis of such indices to changes in the organization parameters and user requirements. The approach uses a timed Petri Net and Object Oriented top-down model specification. Results demonstrate the model representativeness, and its usefulness in verifying process conformance to expectations, and in performing continuous process improvement and optimization.

  9. Multiscale Modeling and Simulation of Material Processing

    2006-07-01

    challenge is how to develop methods that permit simulation of a process with a fewer number of atoms (for e.g. 106 instead of 1014 atoms in a cube) or...rreula bakgrundmes to ea wih poblms n-here. In dynamic simulations, the mass and momentum volving rapidly varying stress, such as stress field near a...significant, as indicated by numerical examples that will follow. We next summarize the coupling scheme with the aid of flowchart Fig. 8. The material

  10. Dynamic global model of oxide Czochralski process with weighing control

    Mamedov, V. M.; Vasiliev, M. G.; Yuferev, V. S.

    2011-03-01

    A dynamic model of oxide Czochralski growth with weighing control has been developed for the first time. A time-dependent approach is used for the calculation of temperature fields in different parts of a crystallization set-up and convection patterns in a melt, while internal radiation in crystal is considered in a quasi-steady approximation. A special algorithm is developed for the calculation of displacement of a triple point and simulation of a crystal surface formation. To calculate variations in the heat generation, a model of weighing control with a commonly used PID regulator is applied. As an example, simulation of the growth process of gallium-gadolinium garnet (GGG) crystals starting from the stage of seeding is performed.

  11. Process simulations for manufacturing of thick composites

    Kempner, Evan A.

    The availability of manufacturing simulations for composites can significantly reduce the costs associated with process development. Simulations provide a tool for evaluating the effect of processing conditions on the quality of parts produced without requiring numerous experiments. This is especially significant in parts that have troublesome features such as large thickness. The development of simulations for thick walled composites has been approached by examining the mechanics of resin flow and fiber deformation during processing, applying these evaluations to develop simulations, and evaluating the simulation with experimental results. A unified analysis is developed to describe the three-dimensional resin flow and fiber preform deformation during processing regardless of the manufacturing process used. It is shown how the generic governing evaluations in the unified analysis can be applied to autoclave molding, compression molding, pultrusion, filament winding, and resin transfer molding. A comparison is provided with earlier models derived individually for these processes. The evaluations described for autoclave curing were used to produce a one-dimensional cure simulation for autoclave curing of thick composites. The simulation consists of an analysis for heat transfer and resin flow in the composite as well as bleeder plies used to absorb resin removed from the part. Experiments were performed in a hot press to approximate curing in an autoclave. Graphite/epoxy laminates of 3 cm and 5 cm thickness were cured while monitoring temperatures at several points inside the laminate and thickness. The simulation predicted temperatures fairly closely, but difficulties were encountered in correlation of thickness results. This simulation was also used to study the effects of prepreg aging on processing of thick composites. An investigation was also performed on filament winding with prepreg tow. Cylinders were wound of approximately 12 mm thickness with pressure

  12. Hospital Registration Process Reengineering Using Simulation Method

    Qiang Su

    2010-01-01

    Full Text Available With increasing competition, many healthcare organizations have undergone tremendous reform in the last decade aiming to increase efficiency, decrease waste, and reshape the way that care is delivered. This study focuses on the operational efficiency improvement of hospital’s registration process. The operational efficiency related factors including the service process, queue strategy, and queue parameters were explored systematically and illustrated with a case study. Guided by the principle of business process reengineering (BPR, a simulation approach was employed for process redesign and performance optimization. As a result, the queue strategy is changed from multiple queues and multiple servers to single queue and multiple servers with a prepare queue. Furthermore, through a series of simulation experiments, the length of the prepare queue and the corresponding registration process efficiency was quantitatively evaluated and optimized.

  13. A general software reliability process simulation technique

    Tausworthe, Robert C.

    1991-01-01

    The structure and rationale of the generalized software reliability process, together with the design and implementation of a computer program that simulates this process are described. Given assumed parameters of a particular project, the users of this program are able to generate simulated status timelines of work products, numbers of injected anomalies, and the progress of testing, fault isolation, repair, validation, and retest. Such timelines are useful in comparison with actual timeline data, for validating the project input parameters, and for providing data for researchers in reliability prediction modeling.

  14. Visualizing human communication in business process simulations

    Groehn, Matti; Jalkanen, Janne; Haho, Paeivi; Nieminen, Marko; Smeds, Riitta

    1999-03-01

    In this paper a description of business process simulation is given. Crucial part in the simulation of business processes is the analysis of social contacts between the participants. We will introduce a tool to collect log data and how this log data can be effectively analyzed using two different kind of methods: discussion flow charts and self-organizing maps. Discussion flow charts revealed the communication patterns and self-organizing maps are a very effective way of clustering the participants into development groups.

  15. Simulation with GOTHIC of experiments Oxidation of fuel in Air

    Martinez-Murillo Mendez, J. C.

    2012-01-01

    In the present work has been addressed for the first time la simulation with the GOTHIC code, experiments oxidation and ignition of SFP in phase 1. This work represents a solid starting point for analysis of specific degradation of fuel in the pools of our facilities.

  16. Process for selected gas oxide removal by radiofrequency catalysts

    Cha, Chang Y.

    1993-01-01

    This process to remove gas oxides from flue gas utilizes adsorption on a char bed subsequently followed by radiofrequency catalysis enhancing such removal through selected reactions. Common gas oxides include SO.sub.2 and NO.sub.x.

  17. Stochastic Simulation of Process Calculi for Biology

    Andrew Phillips

    2010-10-01

    Full Text Available Biological systems typically involve large numbers of components with complex, highly parallel interactions and intrinsic stochasticity. To model this complexity, numerous programming languages based on process calculi have been developed, many of which are expressive enough to generate unbounded numbers of molecular species and reactions. As a result of this expressiveness, such calculi cannot rely on standard reaction-based simulation methods, which require fixed numbers of species and reactions. Rather than implementing custom stochastic simulation algorithms for each process calculus, we propose to use a generic abstract machine that can be instantiated to a range of process calculi and a range of reaction-based simulation algorithms. The abstract machine functions as a just-in-time compiler, which dynamically updates the set of possible reactions and chooses the next reaction in an iterative cycle. In this short paper we give a brief summary of the generic abstract machine, and show how it can be instantiated with the stochastic simulation algorithm known as Gillespie's Direct Method. We also discuss the wider implications of such an abstract machine, and outline how it can be used to simulate multiple calculi simultaneously within a common framework.

  18. Kanban simulation model for production process optimization

    Golchev Riste

    2015-01-01

    Full Text Available A long time has passed since the KANBAN system has been established as an efficient method for coping with the excessive inventory. Still, the possibilities for its improvement through its integration with other different approaches should be investigated further. The basic research challenge of this paper is to present benefits of KANBAN implementation supported with Discrete Event Simulation (DES. In that direction, at the beginning, the basics of KANBAN system are presented with emphasis on the information and material flow, together with a methodology for implementation of KANBAN system. Certain analysis on combining the simulation with this methodology is presented. The paper is concluded with a practical example which shows that through understanding the philosophy of the implementation methodology of KANBAN system and the simulation methodology, a simulation model can be created which can serve as a basis for a variety of experiments that can be conducted within a short period of time, resulting with production process optimization.

  19. Numerical Simulation of Cyclic Thermodynamic Processes

    Andersen, Stig Kildegård

    2006-01-01

    This thesis is on numerical simulation of cyclic thermodynamic processes. A modelling approach and a method for finding periodic steady state solutions are described. Examples of applications are given in the form of four research papers. Stirling machines and pulse tube coolers are introduced...... and a brief overview of the current state of the art in methods for simulating such machines is presented. It was found that different simulation approaches, which model the machines with different levels of detail, currently coexist. Methods using many simplifications can be easy to use and can provide...... models flexible and easy to modify, and to make simulations fast. A high level of accuracy was achieved for integrations of a model created using the modelling approach; the accuracy depended on the settings for the numerical solvers in a very predictable way. Selection of fast numerical algorithms...

  20. Simulation for ward processes of surgical care.

    Pucher, Philip H; Darzi, Ara; Aggarwal, Rajesh

    2013-07-01

    The role of simulation in surgical education, initially confined to technical skills and procedural tasks, increasingly includes training nontechnical skills including communication, crisis management, and teamwork. Research suggests that many preventable adverse events can be attributed to nontechnical error occurring within a ward context. Ward rounds represent the primary point of interaction between patient and physician but take place without formalized training or assessment. The simulated ward should provide an environment in which processes of perioperative care can be performed safely and realistically, allowing multidisciplinary assessment and training of full ward rounds. We review existing literature and describe our experience in setting up our ward simulator. We examine the facilities, equipment, cost, and personnel required for establishing a surgical ward simulator and consider the scenario development, assessment, and feedback tools necessary to integrate it into a surgical curriculum. Copyright © 2013 Elsevier Inc. All rights reserved.

  1. Simulation of Glass Fiber Forming Processes

    Von der Ohe, Renate

    Two glass fiber forming processes have been simulated using FEM, which are the drawing of continuous glass fibers for reinforcement purposes and the spinning of discontinuous glass fibers - stone wool for insulation. The aim of this work was to set up a numerical model for each process, and to use...... this model in finding relationships between the production conditions and the resulting fiber properties. For both processes, a free surface with large deformation and radiative and convective heat transfer must be taken into account. The continuous fiber drawing has been simulated successfully......, and parametric studies have been made. Several properties that characterize the process have been calculated, and the relationship between the fictive temperature and the cooling rate of the fibers has been found. The model for the discontinuous fiber spinning was brought to the limits of the commercial code...

  2. Two-dimensional simulation of sintering process

    Vasconcelos, Vanderley de; Pinto, Lucio Carlos Martins; Vasconcelos, Wander L.

    1996-01-01

    The results of two-dimensional simulations are directly applied to systems in which one of the dimensions is much smaller than the others, and to sections of three dimensional models. Moreover, these simulations are the first step of the analysis of more complex three-dimensional systems. In this work, two basic features of the sintering process are studied: the types of particle size distributions related to the powder production processes and the evolution of geometric parameters of the resultant microstructures during the solid-state sintering. Random packing of equal spheres is considered in the sintering simulation. The packing algorithm does not take into account the interactive forces between the particles. The used sintering algorithm causes the densification of the particle set. (author)

  3. Neurological evidence linguistic processes precede perceptual simulation in conceptual processing.

    Louwerse, Max; Hutchinson, Sterling

    2012-01-01

    There is increasing evidence from response time experiments that language statistics and perceptual simulations both play a role in conceptual processing. In an EEG experiment we compared neural activity in cortical regions commonly associated with linguistic processing and visual perceptual processing to determine to what extent symbolic and embodied accounts of cognition applied. Participants were asked to determine the semantic relationship of word pairs (e.g., sky - ground) or to determine their iconic relationship (i.e., if the presentation of the pair matched their expected physical relationship). A linguistic bias was found toward the semantic judgment task and a perceptual bias was found toward the iconicity judgment task. More importantly, conceptual processing involved activation in brain regions associated with both linguistic and perceptual processes. When comparing the relative activation of linguistic cortical regions with perceptual cortical regions, the effect sizes for linguistic cortical regions were larger than those for the perceptual cortical regions early in a trial with the reverse being true later in a trial. These results map upon findings from other experimental literature and provide further evidence that processing of concept words relies both on language statistics and on perceptual simulations, whereby linguistic processes precede perceptual simulation processes.

  4. Heterogeneous oxidation of mercury in simulated post combustion conditions

    Glenn A. Norton; Hongqun Yang; Robert C. Brown; Dennis L. Laudal; Grant E. Dunham; John Erjavec [Iowa State University, Ames, IA (United States). Center for Sustainable Environmental Technologies

    2003-01-01

    Heterogeneous mercury oxidation was studied by exposing whole fly ash samples and magnetic, nonmagnetic, and size-classified fly ash fractions to elemental mercury vapor in simulated flue gas streams. Fly ash from sub-bituminous Wyodak-Anderson PRB coal and bituminous Blacksville coal were used. Scanning electron microscopy, X-ray diffraction, thermogravimetric analyses, and BET N{sub 2} isothermal sorption analyses were performed to characterize the fly ash samples. Mercury speciation downstream from the ash was determined using the Ontario Hydro method. Results showed that the presence of fly ash was critical for mercury oxidation, and the surface area of the ash appears to be an important parameter. However, for a given fly ash, there were generally no major differences in catalytic oxidation potential between different fly ash fractions. This includes fractions enriched in unburned carbon and iron oxides. The presence of NO{sub 2}, HCl, and SO{sub 2} resulted in greater levels of mercury oxidation, while NO inhibited mercury oxidation. The gas matrix affected mercury oxidation more than the fly ash composition. 21 refs., 10 figs., 2 tabs.

  5. A simulation study on garment manufacturing process

    Liong, Choong-Yeun; Rahim, Nur Azreen Abdul

    2015-02-01

    Garment industry is an important industry and continues to evolve in order to meet the consumers' high demands. Therefore, elements of innovation and improvement are important. In this work, research studies were conducted at a local company in order to model the sewing process of clothes manufacturing by using simulation modeling. Clothes manufacturing at the company involves 14 main processes, which are connecting the pattern, center sewing and side neating, pockets sewing, backside-sewing, attaching the front and back, sleeves preparation, attaching the sleeves and over lock, collar preparation, collar sewing, bottomedge sewing, buttonholing sewing, removing excess thread, marking button, and button cross sewing. Those fourteen processes are operated by six tailors only. The last four sets of processes are done by a single tailor. Data collection was conducted by on site observation and the probability distribution of processing time for each of the processes is determined by using @Risk's Bestfit. Then a simulation model is developed using Arena Software based on the data collected. Animated simulation model is developed in order to facilitate understanding and verifying that the model represents the actual system. With such model, what if analysis and different scenarios of operations can be experimented with virtually. The animation and improvement models will be presented in further work.

  6. Holistic simulation of geotechnical installation processes benchmarks and simulations

    2016-01-01

    This book examines in detail the entire process involved in implementing geotechnical projects, from a well-defined initial stress and deformation state, to the completion of the installation process.   The individual chapters provide the fundamental knowledge needed to effectively improve soil-structure interaction models. Further, they present the results of theoretical fundamental research on suitable constitutive models, contact formulations, and efficient numerical implementations and algorithms. Applications of fundamental research on boundary value problems are also considered in order to improve the implementation of the theoretical models developed. Subsequent chapters highlight parametric studies of the respective geotechnical installation process, as well as elementary and large-scale model tests under well-defined conditions, in order to identify the most essential parameters for optimizing the process. The book provides suitable methods for simulating boundary value problems in connection with g...

  7. Breaking up of pure and simulated 'burnt' mixed oxide fuel by chemical interaction with oxidized sodium

    Besnard, R.; Chaudat, J.P.

    1983-01-01

    A large experimental program have permitted to investigate the behaviour of mixed oxide fuel coming in contact with hot oxidized sodium. The kinetic of the reaction, the size and the chemical nature of the particules after interaction have been studied. The main part of experiments have been performed using mixed oxide fuel non irradiated at first and with simulated fission products afterwards. Complementary informations have been obtained with UO 2 fuel pellets. After description of the experimental devices, the results are discussed and the importance of the main parameters, like temperature and fission products effect, are pointed out. (orig.)

  8. Simulation and optimization of fractional crystallization processes

    Thomsen, Kaj; Rasmussen, Peter; Gani, Rafiqul

    1998-01-01

    A general method for the calculation of various types of phase diagrams for aqueous electrolyte mixtures is outlined. It is shown how the thermodynamic equilibrium precipitation process can be used to satisfy the operational needs of industrial crystallizer/centrifuge units. Examples of simulation...... and optimization of fractional crystallization processes are shown. In one of these examples, a process with multiple steady states is analyzed. The thermodynamic model applied for describing the highly non-ideal aqueous electrolyte systems is the Extended UNIQUAC model. (C) 1998 Published by Elsevier Science Ltd...

  9. Computer simulation and automation of data processing

    Tikhonov, A.N.

    1981-01-01

    The principles of computerized simulation and automation of data processing are presented. The automized processing system is constructed according to the module-hierarchical principle. The main operating conditions of the system are as follows: preprocessing, installation analysis, interpretation, accuracy analysis and controlling parameters. The definition of the quasireal experiment permitting to plan the real experiment is given. It is pointed out that realization of the quasireal experiment by means of the computerized installation model with subsequent automized processing permits to scan the quantitative aspect of the system as a whole as well as provides optimal designing of installation parameters for obtaining maximum resolution [ru

  10. Simulation of the metallic powders compaction process

    Prado, J.M.; Riera, M.D.

    1998-01-01

    The simulation by means of finite elements of the forming processes of mechanical components is a very useful tool for their design and validation. In this work, the simulation of the compaction of a metal powder is presented. The finite element software ABAQUS is used together with the modified CAM-clay plasticity model in order to represent the elastoplastic behaviour of the material. Density distributions are obtained and therefore the motion of the compaction punches which improve this distribution can be found. Stress distribution in the different parts of the mould can also be determined. (Author) 9 refs

  11. Modeling and simulation of economic processes

    Bogdan Brumar

    2010-12-01

    Full Text Available In general, any activity requires a longer action often characterized by a degree of uncertainty, insecurity, in terms of size of the objective pursued. Because of the complexity of real economic systems, the stochastic dependencies between different variables and parameters considered, not all systems can be adequately represented by a model that can be solved by analytical methods and covering all issues for management decision analysis-economic horizon real. Often in such cases, it is considered that the simulation technique is the only alternative available. Using simulation techniques to study real-world systems often requires a laborious work. Making a simulation experiment is a process that takes place in several stages.

  12. Simulation of diesel engine energy conversion processes

    А. С. Афанасьев

    2016-12-01

    Full Text Available In order to keep diesel engines in good working order the troubleshooting methods shall be improved. For their further improvement by parameters of associated processes a need has arisen to develop a diesel engine troubleshooting method based on time parameters of operating cycle. For such method to be developed a computational experiment involving simulation of diesel engine energy conversion processes has been carried out. The simulation was based on the basic mathematical model of reciprocating internal combustion engines, representing a closed system of equations and relationships. The said model has been supplemented with the engine torque dynamics taking into account the current values of in-cylinder processes with different amounts of fuel injected, including zero feed.The torque values obtained by the in-cylinder pressure conversion does not account for mechanical losses, which is why the base simulation program has been supplemented with calculations for the friction and pumping forces. In order to determine the indicator diagram of idle cylinder a transition to zero fuel feed mode and exclusion of the combustion process from calculation have been provisioned.

  13. Elaboration and characterisation of yttrium oxide and hafnium oxide powders by the sol-gel process

    Hours, T.

    1988-01-01

    The two classical sol-gel processes, colloidal and polymeric are studied for the preparation of yttrium oxide and hafnium oxide high performance powders. In the colloidal process, controlled and reproducible conditions for the preparation of yttrium oxide and hafnium oxide sols from salts or alkoxides are developed and the hydrothermal synthesis monodisperse hafnium oxide colloids is studied. The polymeric process is studied with hafnium ethyl-hexylate, hydrolysis kinetics for controlled preparation of sols and gels is investigated. Each step of preparation is detailed and powders obtained are characterized [fr

  14. Computational simulation of the blood separation process.

    De Gruttola, Sandro; Boomsma, Kevin; Poulikakos, Dimos; Ventikos, Yiannis

    2005-08-01

    The aim of this work is to construct a computational fluid dynamics model capable of simulating the quasitransient process of apheresis. To this end a Lagrangian-Eulerian model has been developed which tracks the blood particles within a delineated two-dimensional flow domain. Within the Eulerian method, the fluid flow conservation equations within the separator are solved. Taking the calculated values of the flow field and using a Lagrangian method, the displacement of the blood particles is calculated. Thus, the local blood density within the separator at a given time step is known. Subsequently, the flow field in the separator is recalculated. This process continues until a quasisteady behavior is reached. The simulations show good agreement with experimental results. They shows a complete separation of plasma and red blood cells, as well as nearly complete separation of red blood cells and platelets. The white blood cells build clusters in the low concentrate cell bed.

  15. Simulation of the honeycomb construction process

    Zhang Yuanzhang

    2010-01-01

    The construction process of the honeycomb by bees is an astonishing process. The original structure which the bees built is nothing more than a lot of rough cylinders. But keeping the beeswax semi-flow for a certain time, those rough structures become perfect hexahedral columns. A modified, simplified particle method was used here to simulate the semi-flow state of the material. Although the parameters used here were still rather subjective, the simulation still could demonstrate some behavior of that sort of material like beeswax. And the method that the bees used to build their honey comb, could be an efficient method to imitate when we are trying to manufacture cellular materials.

  16. Micromagnetic simulations using Graphics Processing Units

    Lopez-Diaz, L; Aurelio, D; Torres, L; Martinez, E; Hernandez-Lopez, M A; Gomez, J; Alejos, O; Carpentieri, M; Finocchio, G; Consolo, G

    2012-01-01

    The methodology for adapting a standard micromagnetic code to run on graphics processing units (GPUs) and exploit the potential for parallel calculations of this platform is discussed. GPMagnet, a general purpose finite-difference GPU-based micromagnetic tool, is used as an example. Speed-up factors of two orders of magnitude can be achieved with GPMagnet with respect to a serial code. This allows for running extensive simulations, nearly inaccessible with a standard micromagnetic solver, at reasonable computational times. (topical review)

  17. Diffusive epidemic process: theory and simulation

    Maia, Daniel Souza; Dickman, Ronald

    2007-01-01

    We study the continuous absorbing-state phase transition in the one-dimensional diffusive epidemic process via mean-field theory and Monte Carlo simulation. In this model, particles of two species (A and B) hop on a lattice and undergo reactions B → A and A+B → 2B; the total particle number is conserved. We formulate the model as a continuous-time Markov process described by a master equation. A phase transition between the (absorbing) B-free state and an active state is observed as the parameters (reaction and diffusion rates, and total particle density) are varied. Mean-field theory reveals a surprising, nonmonotonic dependence of the critical recovery rate on the diffusion rate of B particles. A computational realization of the process that is faithful to the transition rates defining the model is devised, allowing for direct comparison with theory. Using the quasi-stationary simulation method we determine the order parameter and the survival time in systems of up to 4000 sites. Due to strong finite-size effects, the results converge only for large system sizes. We find no evidence for a discontinuous transition. Our results are consistent with the existence of three distinct universality classes, depending on whether A particles diffusive more rapidly, less rapidly or at the same rate as B particles. We also perform quasi-stationary simulations of the triplet creation model, which yield results consistent with a discontinuous transition at high diffusion rates

  18. Reactive turbulent flow CFD study in supercritical water oxidation process: application to a stirred double shell reactor; Etude par simulation numerique des ecoulements turbulents reactifs dans les reacteurs d'oxydation hydrothermale: application a un reacteur agite double enveloppe

    Moussiere, S

    2006-12-15

    Supercritical water oxidation is an innovative process to treat organic liquid waste which uses supercritical water properties to mix efficiency the oxidant and the organic compounds. The reactor is a stirred double shell reactor. In the step of adaptation to nuclear constraints, the computational fluid dynamic modeling is a good tool to know required temperature field in the reactor for safety analysis. Firstly, the CFD modeling of tubular reactor confirms the hypothesis of an incompressible fluid and the use of k-w turbulence model to represent the hydrodynamic. Moreover, the EDC model is as efficiency as the kinetic to compute the reaction rate in this reactor. Secondly, the study of turbulent flow in the double shell reactor confirms the use of 2D axisymmetric geometry instead of 3D geometry to compute heat transfer. Moreover, this study reports that water-air mixing is not in single phase. The reactive turbulent flow is well represented by EDC model after adaptation of initial conditions. The reaction rate in supercritical water oxidation reactor is mainly controlled by the mixing. (author)

  19. Computer Simulation of Electron Positron Annihilation Processes

    Chen, y

    2003-10-02

    With the launching of the Next Linear Collider coming closer and closer, there is a pressing need for physicists to develop a fully-integrated computer simulation of e{sup +}e{sup -} annihilation process at center-of-mass energy of 1TeV. A simulation program acts as the template for future experiments. Either new physics will be discovered, or current theoretical uncertainties will shrink due to more accurate higher-order radiative correction calculations. The existence of an efficient and accurate simulation will help us understand the new data and validate (or veto) some of the theoretical models developed to explain new physics. It should handle well interfaces between different sectors of physics, e.g., interactions happening at parton levels well above the QCD scale which are described by perturbative QCD, and interactions happening at much lower energy scale, which combine partons into hadrons. Also it should achieve competitive speed in real time when the complexity of the simulation increases. This thesis contributes some tools that will be useful for the development of such simulation programs. We begin our study by the development of a new Monte Carlo algorithm intended to perform efficiently in selecting weight-1 events when multiple parameter dimensions are strongly correlated. The algorithm first seeks to model the peaks of the distribution by features, adapting these features to the function using the EM algorithm. The representation of the distribution provided by these features is then improved using the VEGAS algorithm for the Monte Carlo integration. The two strategies mesh neatly into an effective multi-channel adaptive representation. We then present a new algorithm for the simulation of parton shower processes in high energy QCD. We want to find an algorithm which is free of negative weights, produces its output as a set of exclusive events, and whose total rate exactly matches the full Feynman amplitude calculation. Our strategy is to create

  20. Low Temperature Processed Complementary Metal Oxide Semiconductor (CMOS) Device by Oxidation Effect from Capping Layer

    Wang, Zhenwei

    2015-04-20

    In this report, both p- and n-type tin oxide thin-film transistors (TFTs) were simultaneously achieved using single-step deposition of the tin oxide channel layer. The tuning of charge carrier polarity in the tin oxide channel is achieved by selectively depositing a copper oxide capping layer on top of tin oxide, which serves as an oxygen source, providing additional oxygen to form an n-type tin dioxide phase. The oxidation process can be realized by annealing at temperature as low as 190°C in air, which is significantly lower than the temperature generally required to form tin dioxide. Based on this approach, CMOS inverters based entirely on tin oxide TFTs were fabricated. Our method provides a solution to lower the process temperature for tin dioxide phase, which facilitates the application of this transparent oxide semiconductor in emerging electronic devices field.

  1. Process Simulation Analysis of HF Stripping

    Thaer A. Abdulla

    2015-02-01

    Full Text Available    HYSYS process simulator is used for the analysis of existing HF stripping column in LAB plant (Arab Detergent Company, Baiji-Iraq. Simulated column performance and profiles curves are constructed. The variables considered are the thermodynamic model option, bottom temperature, feed temperature, and column profiles for the temperature, vapor flow rate, liquid flow rate and composition. The five thermodynamic models options used (Margules, UNIQUAC, van laar, Antoine, and Zudkevitch-Joffee, affecting the results within (0.1-58% variation for the most cases.        The simulated results show that about 4% of paraffin (C10 & C11 presents at the top stream, which may cause a problem in the LAB production plant. The major variations were noticed for the total top vapor flow rate with bottom temperature and with feed composition. The column profiles maintain fairly constants from tray 5 to tray 18. The study gives evidence about a successful simulation with HYSYS because the results correspond with the real plant operation data.

  2. ADVANCED OXIDATION PROCESSES FOR FOOD INDUSTRIAL WASTEWATER DECONTAMINATION

    Dorota Krzemińska

    2015-02-01

    Full Text Available High organic matter content is a basic problem in food industry wastewaters. Typically, the amount and composition of the effluent varies considerably. In the article four groups of advanced processes and their combination of food industry wastewater treatment have been reviewed: electrochemical oxidation (EC, Fenton’s process, ozonation of water and photocatalytic processes. All advanced oxidation processes (AOP`s are characterized by a common chemical feature: the capability of exploiting high reactivity of HO• radicals in driving oxidation processes which are suitable for achieving decolonization and odour reduction, and the complete mineralization or increase of bioavailability of recalcitrant organic pollutants.

  3. Coupling Computer-Aided Process Simulation and ...

    A methodology is described for developing a gate-to-gate life cycle inventory (LCI) of a chemical manufacturing process to support the application of life cycle assessment in the design and regulation of sustainable chemicals. The inventories were derived by first applying process design and simulation of develop a process flow diagram describing the energy and basic material flows of the system. Additional techniques developed by the U.S. Environmental Protection Agency for estimating uncontrolled emissions from chemical processing equipment were then applied to obtain a detailed emission profile for the process. Finally, land use for the process was estimated using a simple sizing model. The methodology was applied to a case study of acetic acid production based on the Cativa tm process. The results reveal improvements in the qualitative LCI for acetic acid production compared to commonly used databases and top-down methodologies. The modeling techniques improve the quantitative LCI results for inputs and uncontrolled emissions. With provisions for applying appropriate emission controls, the proposed method can provide an estimate of the LCI that can be used for subsequent life cycle assessments. As part of its mission, the Agency is tasked with overseeing the use of chemicals in commerce. This can include consideration of a chemical's potential impact on health and safety, resource conservation, clean air and climate change, clean water, and sustainable

  4. Process notebook for aquatic ecosystem simulation

    Swartzman, G.; Smith, E.; McKenzie, D.; Haar, B.; Fickeisen, D.

    1980-01-01

    This notebook contains a detailed comparison of 14 models of fish growth, energetics, population dynamics, and feeding. It is a basic document for the evaluation of thes models' usefulness for impact assessment. Model equations are categorized into 18 subprocesses comprising the major processes of consumption, predation, metabolic processes, growth, fecundity, and mortality. The model equations are compared in a standard notation and the equation rationales are considered and put into a historical framework with historical precedence charts. Model parameters are computed in standard units and data sources and techniques used for parameter estimation are identified. A translator compares standard notation with the notation used in the models. The major contribution of this work is that, for the first time, fish models are arrayed with their assumptions laid bare and their parameter values compared, allowing elucidation of model differeances and evaluaton of model behavior and data needs by using the process notebook as a base for further simulation comparison

  5. Molecular Dynamics Simulation to Investigate the Interaction of Asphaltene and Oxide in Aggregate

    Rui Li

    2016-01-01

    Full Text Available The asphalt-aggregate interface interaction (AAI plays a significant role in the overall performances of asphalt mixture, which is caused due to the complicated physicochemical processes and is influenced by various factors, including the acid-base property of aggregates. In order to analyze the effects of the chemical constitution of aggregate on the AAI, the average structure C65H74N2S2 is selected to represent the asphaltene in asphalt and magnesium oxide (MgO, calcium oxide (CaO, aluminium sesquioxide (Al2O3, and silicon dioxide (SiO2 are selected to represent the major oxides in aggregate. The molecular models are established for asphaltene and the four oxides, respectively, and the molecular dynamics (MD simulation was conducted for the four kinds of asphaltene-oxide system at different temperatures. The interfacial energy in MD simulation is calculated to evaluate the AAI, and higher value means better interaction. The results show that interfacial energy between asphaltene and oxide reaches the maximum value at 25°C and 80°C and the minimum value at 40°C. In addition, the interfacial energy between asphaltene and MgO was found to be the greatest, followed by CaO, Al2O3, and SiO2, which demonstrates that the AAI between asphalt and alkaline aggregates is better than acidic aggregates.

  6. Finite Element Simulation of Blanking Process

    Afzal Ahmed

    2012-10-01

    Full Text Available ABSTRACT: The blanking process can be simulated by ABAQUS v 6.4 to select punch, die and press and ascertain punch wear and bur height. The experimental and the simulation results agree well with rising punch force up to the point of creation of crack. For a 2mm mild steel sheet, the simulation shows that for the punch force of 240 kN, the crack starts at 30% punch penetration depth and punch force suddenly drops to a value of 70 kN and remains steady till the blanking is complete. Comparing simulation and experimental results for a 3mm mild steel sheet, results agree well in the elastic range with the punch force rising up to point of crack creation. However, a discrepancy appears in punch force which increases with punch penetration. At 32% depth of penetration, the discrepancy is 12 % which increases to 60 % at punch penetration of 42%. Punch force for experimental and simulation results remains about 90kN beyond punch penetration of 62%. Also, increase of the thickness of sheet results in reduced crack height and improved quality of blank.ABSTRAK: Proses pengosongan boleh disimulasikan oleh ABAQUS versi 6.4 untuk memilih tebuk, alat dan tekan; dan menentukan haus tebuk dan ketinggian duri. Keputusan ujikaji dan simulasi adalah serupa dengan kenaikan daya tebuk hingga titik retakan diperolehi. Bagi kepingan keluli ringan 2mm simulasi menunjukkan bahawa untuk tenaga tebukan sebanyak 240 kN, retak bermula pada 30% kedalaman penembusan 30% tebukan dan daya tebuk tiba-tiba jatuh kepada 70 kN dan jumplah ini kekal sehingga proses pengosongan selesai.  Apabila hasil simulasi dan eksperimen dibandingkan, keputusan experimen untuk keluli lembut 3mm, bersetuju dengan baik dalam julat anjal dan daya tebukan meningkat sehingga titik penciptaan retak diperolehi. Walau bagaimanapun percanggahan muncul apabila daya tebukan meningkat dengan daya penembusan. Pada kedalaman penembusan 32% percanggahan adalah 12% dan nilai ini meningkat kepada 60% apabila

  7. Desulfurization of AL-Ahdab Crude Oil using Oxidative Processes

    Neran Khalel Ibrahim

    2015-07-01

    Full Text Available Two different oxidative desulfurization strategies based on oxidation/adsorption or oxidation/extraction were evaluated for the desulfurization of AL-Ahdab (AHD sour crude oil (3.9wt% sulfur content. In the oxidation process, a homogenous oxidizing agent comprising of hydrogen peroxide and formic acid was used. Activated carbons were used as sorbent/catalyst in the oxidation/adsorption process while acetonitrile was used as an extraction solvent in the oxidation/extraction process. For the oxidation/adsorption scheme, the experimental results indicated that the oxidation desulfurization efficiency was enhanced on using activated carbon as catalyst/sorbent. The effects of the operating conditions (contact time, temperature, mixing speed and sorbent dose on the desulfurization efficiency were examined. The desulfurization efficiency measured at the best operating conditions(optimum conditions: 60 , 500rpm, 60min contact time and sorbent dose of 0.7g AC/100 ml AHD crude, was 32.8% corresponding to a sulfur content of 2.6 wt%. Applying the same optimum operating conditions and at 3:1 solvent/oil ratio, the oxidation/extraction method gave comparable desulfurization efficiency of 31.5%.

  8. Simulation of the styrene production process via catalytic dehydrogenation of ethylbenzene using CHEMCAD® process simulator

    Amaury Pérez Sánchez

    2017-07-01

    Full Text Available Background: Process simulation has been extensively used in recent years to design, evaluate or optimize processes, systems and specific operations of the chemical industry and its related disciplines. Currently, CHEMCAD® constitute one of the most used process simulators because of the great number of chemical and petrochemical processes that can be simulated. Method: The simulation of the production process of styrene via catalytic dehydrogenation of ethyl-benzene is carried out by using the process simulator CHEMCAD® version 5.2.0, in order to determine the composition and mass flow-rate of each process involved in the production, as well as the main operating parameters of the equipment used. Two sensitivity studies were carried out: firstly, the influence of the temperature and pressure values applied at the LLV Separator on the amounts of ethyl-benzene and styrene to be obtained by the intermediate and top currents of this equipment; secondly, the influence of the operating pressure of the Distillation Column No. 1 (benzene-toluene column on the quantity of ethyl-benzene and styrene obtained at the bottom stream. The simulating software MATLAB® version 7.8.0 was used to process the results obtained. Results: Around 9234.436 kg/h of styrene is obtained in the last distillation column with 99.6% purity. Additionally, it was found that the water is the main impurity found on this stream, which represents 0.35% of the weight. Conclusions: The LLV Separator must operate at a low temperature (5 – 10 ºC and at a relatively high pressure (10 bar, whereas the Distillation Column No. 1 must work at a pressure near atmospheric (1.0 bar, or preferably under vacuum conditions in order to obtain the highest yields of styrene and ethyl-benzene.

  9. Dissolution of uranium oxide materials in simulated lung fluid

    Scripsick, R.C.; Soderholm, S.C.

    1985-01-01

    Depleted uranium (DU) oxide aerosols prepared in the laboratory and collected in the field were tested to characterize their dissolution in simulated lung fluid and to determine how dissolution is affected by aerosol preparation. DU, a by-product of the uranium fuel cycle, has been selected by the US military for use in several types of munitions. During development, manufacture, testing, and use of these munitions, opportunities exist for inhalation exposure to various (usually oxide) aerosol forms of DU. The hazard potential associated with such exposures is closely related to the chemical form, the size of the DU aerosol material, and its dissolution properties. Five DU sample materials produced by exposing uranium alloy penetrators to certain controlled oxidation atmospheres were studied (oxidation temperatures ranged from 500 to 900 0 C). In addition, two DU sample materials collected in the field were provided by the US Air Force. All sample materials were generated as aerosols and the respirable fraction was separated and collected. Data suggest that under some conditions a rapidly dissolving U 3 O 8 fraction may be formed concurrent with the production of UO 2

  10. Qualitative simulation in formal process modelling

    Sivertsen, Elin R.

    1999-01-01

    In relation to several different research activities at the OECD Halden Reactor Project, the usefulness of formal process models has been identified. Being represented in some appropriate representation language, the purpose of these models is to model process plants and plant automatics in a unified way to allow verification and computer aided design of control strategies. The present report discusses qualitative simulation and the tool QSIM as one approach to formal process models. In particular, the report aims at investigating how recent improvements of the tool facilitate the use of the approach in areas like process system analysis, procedure verification, and control software safety analysis. An important long term goal is to provide a basis for using qualitative reasoning in combination with other techniques to facilitate the treatment of embedded programmable systems in Probabilistic Safety Analysis (PSA). This is motivated from the potential of such a combination in safety analysis based on models comprising both software, hardware, and operator. It is anticipated that the research results from this activity will benefit V and V in a wide variety of applications where formal process models can be utilized. Examples are operator procedures, intelligent decision support systems, and common model repositories (author) (ml)

  11. Oxide superconducting ribbon and its fabrication process

    Belouet, C.

    1990-01-01

    A film without cavities, of perovskite type superconducting oxide is deposited by melting on a metal or composite flexible substrate with a rectangular cross section. The film thickness is comprised between 1 and 100 micrometers and orientation of C axis of superconducting crystals is perpendicular to the subtrate [fr

  12. Oxidative processes in power plant oils

    Forlerer, Elena; Zambrano, Debora N.

    2007-01-01

    This paper analyzes the chemical properties differences between thermal-oxidation and radioactive-oxidation in turbine oils in order to estimate the oils' Service Life. The oils were Turbine R type, provided by Repsol-YPF with only few additives such as: anti rust, antioxidant, anticorrosion and without viscosity index improvers. The oils were ISO 32 and ISO 68 grade -with viscosity index 95- and API (American Petroleum Institute) group I, due to its viscosity index (95), the percent of paraffinic component ( 0.03%). Different samples from the heavy water main pumps were collected with different service times and radiation fields during an Embalse NPP's outage. For comparison purposes oils from feedwater pumps systems that convey light water to the steam generators in the Turbine building -without radiation- were obtained. The properties studied by ASTM standards were: colour (visual inspection), Viscosity Index VI (ASTM D227/93), viscosity at 40 C degrees (ASTM D445/96) and Total Acid Number, TAN (ASTM D974-97). Oxidative degradation of base oils could be described by two successive mechanisms that allow the definition of two stages: Primary and Secondary Oxidation. Primary oxidation begins with the thermal generation of alkylation's reactions and acid products formation. Radiation damage operates by two mechanisms: scission and cross-linking. The first one generates free radicals of low molecular weight while the other one can build-up complex molecular networks with high or low solubility in the base oil. Moreover, radiation damage destroys additives molecules and generates colour centres different from oxidative colour modification. Due to scission and cross-linking alkyl group substitution in the aromatic rings are formed. Then, radiation acts as a precursor of Primary Oxidation. Both, thermal and radioactive, damage mechanisms can act simultaneously making the isolated analysis for each one very difficult. To manage it, a Relative Damage Index (RDI) has been

  13. Features oxidative processes in sturgeons fish (Acipenseridae (review

    M. Symon

    2016-12-01

    Full Text Available Purpose. To anayze scientific sources on physiological-biochemical pecularities of reducing-oxidizing processes, including peroxide oxidation of lipids and work of the system of antioxidant protection system in sturgeon species (Acipenseridae. The initiation and process of the oxidative stress have been described. The main products of peroxide oxidation of lipids, antioxidants of natural and artificial origin, organs and tissues for the studies of reducing-oxidizing processes have been examined. Findings. The work generalizes the processes of lipid peroxidation. Briefly outlined the main mechanism of action of antioxidant enzymes. Antioxidant defense system plays one of key role in the life of organism due regulating its series of metabolic processes, use of assessing of its state gives an opportunity obtain quantitative information on the progress of these processes. The products of free radical peroxidation (dien conjugates and malonic dialdehyde can also act as a sort of biomarkers of tissue damage, because their content can judge about the intensity of the flow of free radical processes in the various systems in organism. The review contains a description of the peculiarities of the liver and its involvement in lipid metabolism and antioxidant defense system. It is shown the most common antioxidants used in the feeding of sturgeon. Organs and tissues, which should be used for studying the processes of peroxide oxidation of lipids in sturgeon species, have been examined. Practical value. The systematized data regarding peroxide oxidation of lipids, oxidative stress and antioxidant protection system allow finding a balance between these processes. The data on antioxidants, which are used in feeds for sturgeon species, will be useful for sturgeon culturists. The array of the generalized information will be important for scientists who study the pecularities of the processes of peroxide oxidation of lipids and antioxidant protection system in

  14. Iron oxides and their applications in catalytic processes: a review

    Oliveira, Luiz C. A.; Fabris, José D.; Pereira, Márcio C.

    2013-01-01

    A review of most of the reported studies on the use of iron oxides as catalyst in specific processes, namely Haber-Bosch reaction, Fischer-Tropsch synthesis, Fenton oxidation and photolytic molecular splitting of water to produce gaseous hydrogen, was carried out. An essential overview is thus presented, intending to address the fundamental meaning, as well as the corresponding chemical mechanisms, and perspectives on new technological potentialities of natural and synthetic iron oxides, more...

  15. Simulation-enhanced lean design process

    Jon H. Marvel

    2009-07-01

    Full Text Available 72 Normal 0 false false false EN-US X-NONE X-NONE /* Style Definitions */ table.MsoNormalTable {mso-style-name:"Table Normal"; mso-tstyle-rowband-size:0; mso-tstyle-colband-size:0; mso-style-noshow:yes; mso-style-priority:99; mso-style-qformat:yes; mso-style-parent:""; mso-padding-alt:0in 5.4pt 0in 5.4pt; mso-para-margin:0in; mso-para-margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:11.0pt; font-family:"Calibri","sans-serif"; mso-ascii-font-family:Calibri; mso-ascii-theme-font:minor-latin; mso-fareast-font-family:"Times New Roman"; mso-fareast-theme-font:minor-fareast; mso-hansi-font-family:Calibri; mso-hansi-theme-font:minor-latin; mso-bidi-font-family:"Times New Roman"; mso-bidi-theme-font:minor-bidi;} A traditional lean transformation process does not validate the future state before implementation, relying instead on a series of iterations to modify the system until performance is satisfactory. An enhanced lean process that includes future state validation before implementation is presented.  Simulation modeling and experimentation is proposed as the primary validation tool.  Simulation modeling and experimentation extends value stream mapping to include time, the behavior of individual entities, structural variability, random variability, and component interaction effects. Experiments to analyze the model and draw conclusions about whether the lean transformation effectively addresses the current state gap can be conducted.  Industrial applications of the enhanced lean process show it effectiveness.

  16. Nitrous oxide emissions from wastewater treatment processes

    Law, Yingyu; Ye, Liu; Pan, Yuting; Yuan, Zhiguo

    2012-01-01

    Nitrous oxide (N2O) emissions from wastewater treatment plants vary substantially between plants, ranging from negligible to substantial (a few per cent of the total nitrogen load), probably because of different designs and operational conditions. In general, plants that achieve high levels of nitrogen removal emit less N2O, indicating that no compromise is required between high water quality and lower N2O emissions. N2O emissions primarily occur in aerated zones/compartments/periods owing to active stripping, and ammonia-oxidizing bacteria, rather than heterotrophic denitrifiers, are the main contributors. However, the detailed mechanisms remain to be fully elucidated, despite strong evidence suggesting that both nitrifier denitrification and the chemical breakdown of intermediates of hydroxylamine oxidation are probably involved. With increased understanding of the fundamental reactions responsible for N2O production in wastewater treatment systems and the conditions that stimulate their occurrence, reduction of N2O emissions from wastewater treatment systems through improved plant design and operation will be achieved in the near future. PMID:22451112

  17. Sulfur oxides and nitrogen oxides gas treating process

    Forbes, J. T.

    1985-01-01

    A process is disclosed for treating particle-containing gas streams by removing particles and gaseous atmospheric pollutants. Parallel passage contactors are utilized to remove the gaseous pollutants. The minimum required gas flow rate for effective operation of these contactors is maintained by recycling a variable amount of low temperature gas which has been passed through a particle removal zone. The recycled gas is reheated by heat exchange against a portion of the treated gas

  18. Virtual Collaborative Simulation Environment for Integrated Product and Process Development

    Gulli, Michael A.

    1997-01-01

    Deneb Robotics is a leader in the development of commercially available, leading edge three- dimensional simulation software tools for virtual prototyping,, simulation-based design, manufacturing process simulation, and factory floor simulation and training applications. Deneb has developed and commercially released a preliminary Virtual Collaborative Engineering (VCE) capability for Integrated Product and Process Development (IPPD). This capability allows distributed, real-time visualization and evaluation of design concepts, manufacturing processes, and total factory and enterprises in one seamless simulation environment.

  19. Uranium Metal to Oxide Conversion by Air Oxidation –Process Development

    Duncan, A

    2001-12-31

    Published technical information for the process of metal-to-oxide conversion of uranium components has been reviewed and summarized for the purpose of supporting critical decisions for new processes and facilities for the Y-12 National Security Complex. The science of uranium oxidation under low, intermediate, and high temperature conditions is reviewed. A process and system concept is outlined and process parameters identified for uranium oxide production rates. Recommendations for additional investigations to support a conceptual design of a new facility are outlined.

  20. The Evonik-Uhde HPPO process for proplene oxide production

    Jaeger, B.; Baerz, M. [Evonik Industries, Hanau (Germany); Schemel, J.; Kolbe, B. [Uhde GmbH, Dortmund/Bad Soden (Germany)

    2011-07-01

    In 2008 the HPPO technology has shown up as an economically and environmentally friendly alternative for manufacturing of propylene oxide. The HPPO technology offers the advantage of an on purpose process for manufacturing of propylene oxide without dependency on disposal or marketing of coupling products. (orig.)

  1. Effect of preliminary oxidation on process of steel carburization

    Devochkin, O V; Vorontsov, E S; Filonov, V N [Voronezhskij Politekhnicheskij Inst. (USSR)

    1975-01-01

    Effects of preliminary oxidation of the metal surface and its subsequent reduction steel cementation were studied. The samples with interferentionally coloured oxide film on the surface had deeper carbonated layer than those without film. The kinetics of carbonation process and the mechanism proposed for this phenomenon are given.

  2. Status of test results of electrochemical organic oxidation of a tank 241-SY-101 simulated waste

    Colby, S.A.

    1994-06-01

    This report presents scoping test results of an electrochemical waste pretreatment process to oxidize organic compounds contained in the Hanford Site's radioactive waste storage tanks. Electrochemical oxidation was tested on laboratory scale to destroy organics that are thought to pose safety concerns, using a nonradioactive, simulated tank waste. Minimal development work has been applied to alkaline electrochemical organic destruction. Most electrochemical work has been directed towards acidic electrolysis, as in the metal purification industry, and silver catalyzed oxidation. Alkaline electrochemistry has traditionally been associated with the following: (1) inefficient power use, (2) electrode fouling, and (3) solids handling problems. Tests using a laboratory scale electrochemical cell oxidized surrogate organics by applying a DC electrical current to the simulated tank waste via anode and cathode electrodes. The analytical data suggest that alkaline electrolysis oxidizes the organics into inorganic carbonate and smaller carbon chain refractory organics. Electrolysis treats the waste without adding chemical reagents and at ambient conditions of temperature and pressure. Cell performance was not affected by varying operating conditions and supplemental electrolyte additions

  3. Simulating operator decision processes at SRL

    Hoecker, D.G.; Benhardt, H.C.; Pople, H.E. Jr.

    1991-01-01

    Cognitive environment simulation (CES) is both a methodology and an artificial intelligence (AI) tool. As a methodology, it denotes a technique that models human operators' cognitive processes to either (a) aid in designing the interface to a complex system (such as nuclear reactor control room) or (b) assess the cognitive causality that effects the likelihood of human error in specific accident scenarios. As an AI tool, CES is an expert system that models human intention formation and errors in a problem-solving context. The immediate objective of the reported work was to demonstrate the feasibility of applying CES to a new domain - that of the defense production reactors, whose design and operating philosophy differ in key areas from power reactors, where CES has already demonstrated interesting results

  4. Simulations and observations of cloudtop processes

    Siems, S. T.; Bretherton, C. S.; Baker, M. B.

    1990-01-01

    Turbulent entrainment at zero mean shear stratified interfaces has been studied extensively in the laboratory and theoretically for the classical situation in which density is a passive tracer of the mixing and the turbulent motions producing the entrainment are directed toward the interface. It is the purpose of the numerical simulations and data analysis to investigate these processes and, specifically, to focus on the following questions: (1) Can local cooling below cloudtop play an important role in setting up convective circulations within the cloud, and bringing about entrainment; (2) Can Cloudtop Entrainment Instability (CEI) alone lead to runaway entrainment under geophysically realistic conditions; and (3) What are the important mechanisms of entrainment at cloudtop under zero or low mean shear conditions.

  5. Computer simulation of the structure and properties of non-crystalline oxides

    Belashchenko, D.K.

    1997-01-01

    The structure data and some properties of non-crystalline (liquid and amorphous) oxide systems are discussed that were obtained using computer simulation methods. The simple oxide models, the homological serii of simple oxides, the models of binary and multi-components oxide systems are considered. Also the results of the simulation of ionic transfer in electric field are discussed. Ionic theory of oxides allows to predict the structure, thermodynamic and other properties for many oxide systems except the phosphate and vanadate oxides and some others

  6. Process for producing nuclear reactor fuel oxides

    Goenrich, H.; Druckenbrodt, W.G.

    1981-01-01

    The waste gases of the calcination process furnace in the AVC or AV/PuC process (manufacture of nuclear reactor fuel dioxides) are returned to the furnace in a closed circuit. The NH 3 produced replaces the hydrogen which would otherwise be required for reduction in this process. (orig.) [de

  7. Electrochemical activity of heavy metal oxides in the process of ...

    Unknown

    2002-02-02

    Feb 2, 2002 ... Electrochemical activity of heavy metal oxides in the process of chloride induced .... represents the protective barrier moderating the chloride attack which ... inhibitors and their influence on the physical properties of. Portland ...

  8. Optimization of process and solution parameters in electrospinning polyethylene oxide

    Jacobs, V

    2011-11-01

    Full Text Available This paper reports the optimization of electrospinning process and solution parameters using factorial design approach to obtain uniform polyethylene oxide (PEO) nanofibers. The parameters studied were distance between nozzle and collector screen...

  9. Business Process Simulation: Requirements for Business and Resource Models

    Audrius Rima

    2015-07-01

    Full Text Available The purpose of Business Process Model and Notation (BPMN is to provide easily understandable graphical representation of business process. Thus BPMN is widely used and applied in various areas one of them being a business process simulation. This paper addresses some BPMN model based business process simulation problems. The paper formulate requirements for business process and resource models in enabling their use for business process simulation.

  10. Carbon contaminant in the ion processing of aluminum oxide film

    Chaug, Y.; Roy, N.

    1989-01-01

    Ion processing can induce contamination on the bombarded surface. However, this process is essential for the microelectronics device fabrication. Auger electron spectroscopy has been used to study the simultaneous deposition of carbon impurity during ion bombardment of magnetron rf-sputtering deposited aluminum oxide film. Ion bombardment on aluminum oxide results in a preferential removal of surface oxygen and a formation of a metastable state of aluminum suboxide. Cosputtered implanted carbon contaminant appears to have formed a new state of stoichiometry on the surface of the ion bombarded aluminum oxide and existed as an aluminum carbide. This phase has formed due to the interaction of the implanted carbon and the aluminum suboxide. The Ar + ion sputter etching rate is reduced for the carbon contaminated oxide. The electrical resistance of the aluminum oxide between two gold strips has been measured. It is found that the electrical resistance is also reduced due to the formation of the new stoichiometry on the surface

  11. Ring rolling process simulation for geometry optimization

    Franchi, Rodolfo; Del Prete, Antonio; Donatiello, Iolanda; Calabrese, Maurizio

    2017-10-01

    Ring Rolling is a complex hot forming process where different rolls are involved in the production of seamless rings. Since each roll must be independently controlled, different speed laws must be set; usually, in the industrial environment, a milling curve is introduced to monitor the shape of the workpiece during the deformation in order to ensure the correct ring production. In the present paper a ring rolling process has been studied and optimized in order to obtain anular components to be used in aerospace applications. In particular, the influence of process input parameters (feed rate of the mandrel and angular speed of main roll) on geometrical features of the final ring has been evaluated. For this purpose, a three-dimensional finite element model for HRR (Hot Ring Rolling) has been implemented in SFTC DEFORM V11. The FEM model has been used to formulate a proper optimization problem. The optimization procedure has been implemented in the commercial software DS ISight in order to find the combination of process parameters which allows to minimize the percentage error of each obtained dimension with respect to its nominal value. The software allows to find the relationship between input and output parameters applying Response Surface Methodology (RSM), by using the exact values of output parameters in the control points of the design space explored through FEM simulation. Once this relationship is known, the values of the output parameters can be calculated for each combination of the input parameters. After the calculation of the response surfaces for the selected output parameters, an optimization procedure based on Genetic Algorithms has been applied. At the end, the error between each obtained dimension and its nominal value has been minimized. The constraints imposed were the maximum values of standard deviations of the dimensions obtained for the final ring.

  12. Kinetics and mechanism of synthetic CoS oxidation process

    Štrbac N.

    2006-01-01

    Full Text Available The results of investigation of kinetics and mechanism for synthetic a-CoS oxidation process are presented in this paper. Based on experimental data obtained using DTA and XRD analysis and constructed PSD diagrams for Co-S-O system, mechanism of synthetic a-CoS oxidation process is suggested. Characteristic kinetic parameters were obtained for experimental isothermal investigations of desulfurization degree using Sharp method.

  13. Simulation of the oxidation pathway on Si(100) using high-resolution EELS

    Hogan, Conor [Consiglio Nazionale delle Ricerche, Istituto di Struttura della Materia (CNR-ISM), Rome (Italy); Dipartimento di Fisica, Universita di Roma ' ' Tor Vergata' ' , Roma (Italy); European Theoretical Spectroscopy Facility (ETSF), Roma (Italy); Caramella, Lucia; Onida, Giovanni [Dipartimento di Fisica, Universita degli Studi di Milano (Italy); European Theoretical Spectroscopy Facility (ETSF), Milano (Italy)

    2012-06-15

    We compute high-resolution electron energy loss spectra (HREELS) of possible structural motifs that form during the dynamic oxidation process on Si(100), including the important metastable precursor silanone and an adjacent-dimer bridge (ADB) structure that may seed oxide formation. Spectroscopic fingerprints of single site, silanone, and ''seed'' structures are identified and related to changes in the surface bandstructure of the clean surface. Incorporation of oxygen into the silicon lattice through adsorption and dissociation of water is also examined. Results are compared to available HREELS spectra and surface optical data, which are closely related. Our simulations confirm that HREELS offers complementary evidence to surface optical spectroscopy, and show that its high sensitivity allows it to distinguish between energetically and structurally similar oxidation models. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  14. Studies on nitric oxide removal in simulated gas compositions under plasma-dielectric/catalytic discharges

    Rajanikanth, B.S.; Rout, Satyabrata

    2001-01-01

    Application of pulsed electrical discharges for gas cleaning is gaining prominence, mainly from the energy consideration point of view. This present paper presents recent work on applying the electrical discharge plasma technology for treating gaseous pollutants, in general, and nitric oxide, in particular, as this is one of the major contributors to air pollution. The present work focuses attention on pulsed electrical discharge technique for nitric oxide removal from simulated gas compositions and study of effect of packed dielectric pellets, with and without a coating of catalyst, on the removal process. Experiments were conducted in a cylindrical corona reactor energized by repetitive high voltage pulses. The effects of various parameters, viz. pulse voltage magnitude, pulse frequency, initial nitric oxide concentration and gas mixture composition on nitric oxide removal efficiency, are discussed. When the reactors were filled with different dielectric pellets like, barium titanate, alumina, and alumina coated with palladium catalyst, the improvement in nitric oxide removal efficiency is studied and discussed. The power dissipated in the reactor and the energy consumed per nitric oxide molecule removed was calculated. Further results and comparative study of various cases are presented in the paper

  15. Simulation and Flexibility Analysis of Milk Production Process

    Cheng, Hongyuan; Friis, Alan

    . Such flexible dairy production line can adjust its production pace in manufacturing different products without replacing existing equipment in the production line. In this work, the dairy process simulator is applied to study the flexibility of milk production line. In the same production line, various......In this work, process simulation method is used to simulate pasteurised market milk production line. A commercial process simulation tool - Pro/II from Simulation Science Inc. is used in the simulation work. In the simulation, a new model is used to calculate the thermal property of milk....... In this work, a simulator is obtained for the milk production line. Using the simulator, different milk processing situation can be quantitatively simulated investigated, such as different products production, capacity changes, fat content changes in raw milk, energy cost at different operation conditions etc...

  16. Particle Simulation of Oxidation Induced Band 3 Clustering in Human Erythrocytes.

    Hanae Shimo

    2015-06-01

    Full Text Available Oxidative stress mediated clustering of membrane protein band 3 plays an essential role in the clearance of damaged and aged red blood cells (RBCs from the circulation. While a number of previous experimental studies have observed changes in band 3 distribution after oxidative treatment, the details of how these clusters are formed and how their properties change under different conditions have remained poorly understood. To address these issues, a framework that enables the simultaneous monitoring of the temporal and spatial changes following oxidation is needed. In this study, we established a novel simulation strategy that incorporates deterministic and stochastic reactions with particle reaction-diffusion processes, to model band 3 cluster formation at single molecule resolution. By integrating a kinetic model of RBC antioxidant metabolism with a model of band 3 diffusion, we developed a model that reproduces the time-dependent changes of glutathione and clustered band 3 levels, as well as band 3 distribution during oxidative treatment, observed in prior studies. We predicted that cluster formation is largely dependent on fast reverse reaction rates, strong affinity between clustering molecules, and irreversible hemichrome binding. We further predicted that under repeated oxidative perturbations, clusters tended to progressively grow and shift towards an irreversible state. Application of our model to simulate oxidation in RBCs with cytoskeletal deficiency also suggested that oxidation leads to more enhanced clustering compared to healthy RBCs. Taken together, our model enables the prediction of band 3 spatio-temporal profiles under various situations, thus providing valuable insights to potentially aid understanding mechanisms for removing senescent and premature RBCs.

  17. Particle Simulation of Oxidation Induced Band 3 Clustering in Human Erythrocytes.

    Shimo, Hanae; Arjunan, Satya Nanda Vel; Machiyama, Hiroaki; Nishino, Taiko; Suematsu, Makoto; Fujita, Hideaki; Tomita, Masaru; Takahashi, Koichi

    2015-06-01

    Oxidative stress mediated clustering of membrane protein band 3 plays an essential role in the clearance of damaged and aged red blood cells (RBCs) from the circulation. While a number of previous experimental studies have observed changes in band 3 distribution after oxidative treatment, the details of how these clusters are formed and how their properties change under different conditions have remained poorly understood. To address these issues, a framework that enables the simultaneous monitoring of the temporal and spatial changes following oxidation is needed. In this study, we established a novel simulation strategy that incorporates deterministic and stochastic reactions with particle reaction-diffusion processes, to model band 3 cluster formation at single molecule resolution. By integrating a kinetic model of RBC antioxidant metabolism with a model of band 3 diffusion, we developed a model that reproduces the time-dependent changes of glutathione and clustered band 3 levels, as well as band 3 distribution during oxidative treatment, observed in prior studies. We predicted that cluster formation is largely dependent on fast reverse reaction rates, strong affinity between clustering molecules, and irreversible hemichrome binding. We further predicted that under repeated oxidative perturbations, clusters tended to progressively grow and shift towards an irreversible state. Application of our model to simulate oxidation in RBCs with cytoskeletal deficiency also suggested that oxidation leads to more enhanced clustering compared to healthy RBCs. Taken together, our model enables the prediction of band 3 spatio-temporal profiles under various situations, thus providing valuable insights to potentially aid understanding mechanisms for removing senescent and premature RBCs.

  18. Atomistic simulation of CO 2 solubility in poly(ethylene oxide) oligomers

    Hong, Bingbing; Panagiotopoulos, Athanassios Z.

    2013-01-01

    We have performed atomistic molecular dynamics simulations coupled with thermodynamic integration to obtain the excess chemical potential and pressure-composition phase diagrams for CO2 in poly(ethylene oxide) oligomers. Poly(ethylene oxide

  19. Effect of Antifoam Agent on Oxidative Leaching of Hanford Tank Sludge Simulants

    Rapko, Brian M.; Jones, Susan A.; Lumetta, Gregg J.; Peterson, Reid A.

    2010-01-01

    Oxidative leaching of simulant tank waste containing an antifoam agent (AFA) to reduce the chromium content of the sludge was tested using permanganate as the oxidant in 0.25 M NaOH solutions. AFA is added to the waste treatment process to prevent foaming. The AFA, Dow Corning Q2-3183A, is a surface-active polymer that consists of polypropylene glycol, polydimethylsiloxane, octylphenoxy polyethoxy ethanol, treated silica, and polyether polyol. Some of the Hanford Tank Waste Treatment and Immobilization Plant (WTP) waste slurries contain high concentrations of undissolved solids that would exhibit undesirable behavior without AFA addition. These tests were conducted to determine the effect of the AFA on oxidative leaching of Cr(III) in waste by permanganate. It has not previously been determined what effect AFA has on the permanganate reaction. This study was conducted to determine the effect AFA has on the oxidation of the chromium, plus plutonium and other criticality-related elements, specifically Fe, Ni and Mn. During the oxidative leaching process, Mn is added as liquid permanganate solution and is converted to an insoluble solid that precipitates as MnO2 and becomes part of the solid waste. Caustic leaching was performed followed by an oxidative leach at either 25 C or 45 C. Samples of the leachate and solids were collected at each step of the process. Initially, Battelle-Pacific Northwest Division (PNWD) was contracted by Bechtel National, Inc. to perform these further scoping studies on oxidative alkaline leaching. The data obtained from the testing will be used by the WTP operations to develop procedures for permanganate dosing of Hanford tank sludge solids during oxidative leaching. Work was initially conducted under contract number 24590-101-TSA-W000-00004. In February 2007, the contract mechanism was switched to Pacific Northwest National Laboratory (PNNL) operating Contract DE-AC05-76RL01830. In summary, this report describes work focused on determining

  20. Effect of Antifoam Agent on Oxidative Leaching of Hanford Tank Sludge Simulants

    Rapko, Brian M.; Jones, Susan A.; Lumetta, Gregg J.; Peterson, Reid A.

    2010-02-26

    Oxidative leaching of simulant tank waste containing an antifoam agent (AFA) to reduce the chromium content of the sludge was tested using permanganate as the oxidant in 0.25 M NaOH solutions. AFA is added to the waste treatment process to prevent foaming. The AFA, Dow Corning Q2-3183A, is a surface-active polymer that consists of polypropylene glycol, polydimethylsiloxane, octylphenoxy polyethoxy ethanol, treated silica, and polyether polyol. Some of the Hanford Tank Waste Treatment and Immobilization Plant (WTP) waste slurries contain high concentrations of undissolved solids that would exhibit undesirable behavior without AFA addition. These tests were conducted to determine the effect of the AFA on oxidative leaching of Cr(III) in waste by permanganate. It has not previously been determined what effect AFA has on the permanganate reaction. This study was conducted to determine the effect AFA has on the oxidation of the chromium, plus plutonium and other criticality-related elements, specifically Fe, Ni and Mn. During the oxidative leaching process, Mn is added as liquid permanganate solution and is converted to an insoluble solid that precipitates as MnO2 and becomes part of the solid waste. Caustic leaching was performed followed by an oxidative leach at either 25°C or 45°C. Samples of the leachate and solids were collected at each step of the process. Initially, Battelle-Pacific Northwest Division (PNWD) was contracted by Bechtel National, Inc. to perform these further scoping studies on oxidative alkaline leaching. The data obtained from the testing will be used by the WTP operations to develop procedures for permanganate dosing of Hanford tank sludge solids during oxidative leaching. Work was initially conducted under contract number 24590-101-TSA-W000-00004. In February 2007, the contract mechanism was switched to Pacific Northwest National Laboratory (PNNL) operating Contract DE-AC05-76RL01830. In summary, this report describes work focused on

  1. Analysis of the laser oxidation kinetics process of In-In(2)O(3) MTMO photomasks by laser direct writing.

    Xia, Feng; Zhang, Xinzheng; Wang, Meng; Liu, Qian; Xu, Jingjun

    2015-11-02

    One kind of novel grayscale photomask based on Metal-transparent-metallic-oxides (MTMOs) system fabricated by laser direct writing was demonstrated recently. Here, a multilayer oxidation model of In-In(2)O(3) film with a glass substrate was proposed to study the pulsed laser-induced oxidation mechanism. The distribution of the electromagnetic field in the film is calculated by the transfer matrix method. Temperature fields of the model are simulated based on the heat transfer equations with the Finite-Difference Time-Domain method. The oxidation kinetics process is studied based on the laser-induced Cabrera-Mott theory. The simulated oxidation processes are consistent with the experimental results, which mean that our laser-induced oxidation model can successfully interpret the fabrication mechanism of MTMO grayscale photomasks.

  2. Computer Simulation of a Hardwood Processing Plant

    D. Earl Kline; Philip A. Araman

    1990-01-01

    The overall purpose of this paper is to introduce computer simulation as a decision support tool that can be used to provide managers with timely information. A simulation/animation modeling procedure is demonstrated for wood products manufacuring systems. Simulation modeling techniques are used to assist in identifying and solving problems. Animation is used for...

  3. Preliminary process simulation and analysis of GMODS: Processing of plutonium surplus materials

    Ferrada, J.J.; Nehls, J.W. Jr.; Welch, T.D.; Giardina, J.L.; Forsberg, C.W.; Maliyekkel, A.T.

    1996-01-01

    To address growing concerns in the areas of arms control, control of fissile materials, waste management, and environment and health, the US Department of Energy is studying and evaluating various options for the control and disposal of surplus fissile materials (SFMs). One of the options under consideration is the Glass Material Oxidation and Dissolution System (GMODS) which directly converts plutonium-bearing materials such as metals, ceramics, and organics into a durable-high-quality glass for long-term storage or a waste form for disposal. This study undertook the development of a computer simulation of the GMODS process using FLOW. That computer simulation was used to perform an assessment of how GMODS would handle the treatment of plutonium, rich scrap (RS) and lead scrap (LS), and identify critical process parameters. Among the key process parameters affecting the glass formation were processing temperatures, additives, and the effects of varying them on the final product. This assessment looked at the quantity of glass produced, the quality of the final glass form, and the effect of blending different groups of the feed streams on the glass produced. The model also provided a way to study the current process assumptions and determine in which areas more experimental studies are required. The simulation showed that the glass chemistry postulated in the models is workable. It is expected that the glass chemistry assumed during the modeling process can be verified by the results of the laboratory experiments that are currently being conducted relating to the GMODS process.Further waste characterization, especially of the SFM waste streams not studied in this report, will provide more nearly accurate results and give a more detailed evaluation of the GMODS process

  4. Preliminary process simulation and analysis of GMODS: Processing of plutonium surplus materials

    Ferrada, J.J.; Nehls, J.W. Jr.; Welch, T.D.; Giardina, J.L.; Forsberg, C.W. [Oak Ridge National Lab., TN (United States); Maliyekkel, A.T. [Oak Ridge Associated Universities, TN (United States)

    1996-01-02

    To address growing concerns in the areas of arms control, control of fissile materials, waste management, and environment and health, the US Department of Energy is studying and evaluating various options for the control and disposal of surplus fissile materials (SFMs). One of the options under consideration is the Glass Material Oxidation and Dissolution System (GMODS) which directly converts plutonium-bearing materials such as metals, ceramics, and organics into a durable-high-quality glass for long-term storage or a waste form for disposal. This study undertook the development of a computer simulation of the GMODS process using FLOW. That computer simulation was used to perform an assessment of how GMODS would handle the treatment of plutonium, rich scrap (RS) and lead scrap (LS), and identify critical process parameters. Among the key process parameters affecting the glass formation were processing temperatures, additives, and the effects of varying them on the final product. This assessment looked at the quantity of glass produced, the quality of the final glass form, and the effect of blending different groups of the feed streams on the glass produced. The model also provided a way to study the current process assumptions and determine in which areas more experimental studies are required. The simulation showed that the glass chemistry postulated in the models is workable. It is expected that the glass chemistry assumed during the modeling process can be verified by the results of the laboratory experiments that are currently being conducted relating to the GMODS process.Further waste characterization, especially of the SFM waste streams not studied in this report, will provide more nearly accurate results and give a more detailed evaluation of the GMODS process.

  5. Low Temperature Processed Complementary Metal Oxide Semiconductor (CMOS) Device by Oxidation Effect from Capping Layer

    Wang, Zhenwei; Al-Jawhari, Hala A.; Nayak, Pradipta K.; Caraveo-Frescas, J. A.; Wei, Nini; Hedhili, Mohamed N.; Alshareef, Husam N.

    2015-01-01

    , which is significantly lower than the temperature generally required to form tin dioxide. Based on this approach, CMOS inverters based entirely on tin oxide TFTs were fabricated. Our method provides a solution to lower the process temperature for tin

  6. Literature review for oxalate oxidation processes and plutonium oxalate solubility

    Nash, C. A. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2015-10-01

    A literature review of oxalate oxidation processes finds that manganese(II)-catalyzed nitric acid oxidation of oxalate in precipitate filtrate is a viable and well-documented process. The process has been operated on the large scale at Savannah River in the past, including oxidation of 20 tons of oxalic acid in F-Canyon. Research data under a variety of conditions show the process to be robust. This process is recommended for oxalate destruction in H-Canyon in the upcoming program to produce feed for the MOX facility. Prevention of plutonium oxalate precipitation in filtrate can be achieved by concentrated nitric acid/ferric nitrate sequestration of oxalate. Organic complexants do not appear practical to sequester plutonium. Testing is proposed to confirm the literature and calculation findings of this review at projected operating conditions for the upcoming campaign.

  7. Ab initio molecular dynamics simulation of aqueous solution of nitric oxide in different formal oxidation states

    Venâncio, Mateus F.; Rocha, Willian R.

    2015-10-01

    Ab initio molecular dynamics simulations were used to investigate the early chemical events involved in the dynamics of nitric oxide (NOrad), nitrosonium cation (NO+) and nitroxide anion (NO-) in aqueous solution. The NO+ ion is very reactive in aqueous solution having a lifetime of ∼4 × 10-13 s, which is shorter than the value of 3 × 10-10 s predicted experimentally. The NO+ reacts generating the nitrous acid as an intermediate and the NO2- ion as the final product. The dynamics of NOrad revealed the reversibly formation of a transient anion radical species HONOrad -.

  8. Effects of tunnel oxide process on SONOS flash memory characteristics

    Li, Dong Hua; Park, Il Han; Yun, Jang-Gn; Park, Byung-Gook

    2010-01-01

    In this paper, various process conditions of tunnel oxides are applied in SONOS flash memory to investigate their effects on charge transport during the program/erase operations. We focus the key point of analysis on Fermi-level (E F ) variation at the interface of silicon substrate and tunnel oxide. The Si-O chemical bonding information which describes the interface oxidation states at the Si/SiO 2 is obtained by the core-level X-ray photoelectron spectroscopy (XPS). Moreover, relative E F position is determined by measuring the Si 2p energy shift from XPS spectrums. Experimental results from memory characteristic measurement show that MTO tunnel oxide structure exhibits faster erase speed, and larger memory window during P/E cycle compared to FTO and RTO tunnel oxide structures. Finally, we examine long-term charge retention characteristic and find that the memory windows of all the capacitors remain wider than 2 V after 10 5 s.

  9. Computer Simulation of Developmental Processes and ...

    Rationale: Recent progress in systems toxicology and synthetic biology have paved the way to new thinking about in vitro/in silico modeling of developmental processes and toxicities, both for embryological and reproductive impacts. Novel in vitro platforms such as 3D organotypic culture models, engineered microscale tissues and complex microphysiological systems (MPS), together with computational models and computer simulation of tissue dynamics, lend themselves to a integrated testing strategies for predictive toxicology. As these emergent methodologies continue to evolve, they must be integrally tied to maternal/fetal physiology and toxicity of the developing individual across early lifestage transitions, from fertilization to birth, through puberty and beyond. Scope: This symposium will focus on how the novel technology platforms can help now and in the future, with in vitro/in silico modeling of complex biological systems for developmental and reproductive toxicity issues, and translating systems models into integrative testing strategies. The symposium is based on three main organizing principles: (1) that novel in vitro platforms with human cells configured in nascent tissue architectures with a native microphysiological environments yield mechanistic understanding of developmental and reproductive impacts of drug/chemical exposures; (2) that novel in silico platforms with high-throughput screening (HTS) data, biologically-inspired computational models of

  10. Global simulations of aerosol processing in clouds

    C. Hoose

    2008-12-01

    Full Text Available An explicit and detailed representation of in-droplet and in-crystal aerosol particles in stratiform clouds has been introduced in the global aerosol-climate model ECHAM5-HAM. The new scheme allows an evaluation of the cloud cycling of aerosols and an estimation of the relative contributions of nucleation and collision scavenging, as opposed to evaporation of hydrometeors in the global aerosol processing by clouds. On average an aerosol particle is cycled through stratiform clouds 0.5 times. The new scheme leads to important changes in the simulated fraction of aerosol scavenged in clouds, and consequently in the aerosol wet deposition. In general, less aerosol is scavenged into clouds with the new prognostic treatment than what is prescribed in standard ECHAM5-HAM. Aerosol concentrations, size distributions, scavenged fractions and cloud droplet concentrations are evaluated and compared to different observations. While the scavenged fraction and the aerosol number concentrations in the marine boundary layer are well represented in the new model, aerosol optical thickness, cloud droplet number concentrations in the marine boundary layer and the aerosol volume in the accumulation and coarse modes over the oceans are overestimated. Sensitivity studies suggest that a better representation of below-cloud scavenging, higher in-cloud collision coefficients, or a reduced water uptake by seasalt aerosols could reduce these biases.

  11. Business process simulation : how to get it right?

    Aalst, van der W.M.P.; Nakatumba, J.; Rozinat, A.; Russell, N.C.

    2008-01-01

    Although simulation is typically considered as relevant and highly applicable, in reality the use of simulation is limited. Many organizations have tried to use simulation to analyze their business processes at some stage. However, few are using simulation in a structured and effective manner. This

  12. Business process simulation : how to get it right?

    Aalst, van der W.M.P.; Nakatumba, J.; Rozinat, A.; Russell, N.C.

    2008-01-01

    Abstract. Although simulation is typically considered as relevant and highly applicable, in reality the use of simulation is limited. Many organizations have tried to use simulation to analyze their business processes at some stage. However, few are using simulation in a structured and e.ective

  13. The chemical energy unit partial oxidation reactor operation simulation modeling

    Mrakin, A. N.; Selivanov, A. A.; Batrakov, P. A.; Sotnikov, D. G.

    2018-01-01

    The chemical energy unit scheme for synthesis gas, electric and heat energy production which is possible to be used both for the chemical industry on-site facilities and under field conditions is represented in the paper. The partial oxidation reactor gasification process mathematical model is described and reaction products composition and temperature determining algorithm flow diagram is shown. The developed software product verification showed good convergence of the experimental values and calculations according to the other programmes: the temperature determining relative discrepancy amounted from 4 to 5 %, while the absolute composition discrepancy ranged from 1 to 3%. The synthesis gas composition was found out practically not to depend on the supplied into the partial oxidation reactor (POR) water vapour enthalpy and compressor air pressure increase ratio. Moreover, air consumption coefficient α increase from 0.7 to 0.9 was found out to decrease synthesis gas target components (carbon and hydrogen oxides) specific yield by nearly 2 times and synthesis gas target components required ratio was revealed to be seen in the water vapour specific consumption area (from 5 to 6 kg/kg of fuel).

  14. Computer simulation of gear tooth manufacturing processes

    Mavriplis, Dimitri; Huston, Ronald L.

    1990-01-01

    The use of computer graphics to simulate gear tooth manufacturing procedures is discussed. An analytical basis for the simulation is established for spur gears. The simulation itself, however, is developed not only for spur gears, but for straight bevel gears as well. The applications of the developed procedure extend from the development of finite element models of heretofore intractable geometrical forms, to exploring the fabrication of nonstandard tooth forms.

  15. SIMULATION AS A TOOL FOR PROCESS OPTIMIZATION OF LOGISTIC SYSTEMS

    Radko Popovič

    2015-09-01

    Full Text Available The paper deals with the simulation of the production processes, especially module of Siemens Tecnomatix software. Tecnomatix Process Simulate is designed for building new or modifying existing production processes. The simulation created in this software has a posibility for fast testing of planned changes or improvements of the production processes. On the base of simulation you can imagine the future picture of the real production system. 3D Simulation can reflects the actual status and conditions on the running system and of course, after some improvements, it can show the possible figure of the production system.

  16. Micromechanism of oxygen transport during initial stage oxidation in Si(100) surface: A ReaxFF molecular dynamics simulation study

    Sun, Yu, E-mail: yu.sun@xjtu.edu.cn [State Key Laboratory for Manufacturing Systems Engineering, School of Mechanical Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Institute for Computational Mechanics and Its Applications, Northwestern Polytechnical University, Xi’an 710072 (China); Liu, Yilun [State Key Laboratory for Strength and Vibration of Mechanical Structures, School of Aerospace Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Chen, Xuefeng; Zhai, Zhi [State Key Laboratory for Manufacturing Systems Engineering, School of Mechanical Engineering, Xi’an Jiaotong University, Xi’an 710049 (China); Xu, Fei [Institute for Computational Mechanics and Its Applications, Northwestern Polytechnical University, Xi’an 710072 (China); Liu, Yijun [Institute for Computational Mechanics and Its Applications, Northwestern Polytechnical University, Xi’an 710072 (China); Mechanical Engineering, University of Cincinnati, Cincinnati, OH 45221-0072 (United States)

    2017-06-01

    Highlights: • A competition mechanism between thermal actuation and compressive stress blocking was found for the oxygen transport. • At low temperature, a compressive stress was generated in the oxide layer which blocked oxygen transport into the deeper region. • O atoms gained larger possibility to go deeper inward as temperature increase. • The related film quality was well explained by the competition mechanism. - Abstract: The early stage oxidation in Si(100) surface has been investigated in this work by a reactive force field molecular dynamics (ReaxFF MD) simulation, manifesting that the oxygen transport acted as a dominant issue for initial oxidation process. Due to the oxidation, a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Si(100) surface and further prevented oxidation in the deeper layer. In contrast, thermal actuation was beneficial to the oxygen transport into deeper layer as temperature increases. Therefore, a competition mechanism was found for the oxygen transport during early stage oxidation in Si(100) surface. At room temperature, the oxygen transport was governed by the blocking effect of compressive stress, so a better quality oxide film with more uniform interface and more stoichiometric oxide structure was obtained. Indeed, the mechanism presented in this work is also applicable for other self-limiting oxidation (e.g. metal oxidation) and is helpful for the design of high-performance electronic devices.

  17. Micromechanism of oxygen transport during initial stage oxidation in Si(100) surface: A ReaxFF molecular dynamics simulation study

    Sun, Yu; Liu, Yilun; Chen, Xuefeng; Zhai, Zhi; Xu, Fei; Liu, Yijun

    2017-01-01

    Highlights: • A competition mechanism between thermal actuation and compressive stress blocking was found for the oxygen transport. • At low temperature, a compressive stress was generated in the oxide layer which blocked oxygen transport into the deeper region. • O atoms gained larger possibility to go deeper inward as temperature increase. • The related film quality was well explained by the competition mechanism. - Abstract: The early stage oxidation in Si(100) surface has been investigated in this work by a reactive force field molecular dynamics (ReaxFF MD) simulation, manifesting that the oxygen transport acted as a dominant issue for initial oxidation process. Due to the oxidation, a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Si(100) surface and further prevented oxidation in the deeper layer. In contrast, thermal actuation was beneficial to the oxygen transport into deeper layer as temperature increases. Therefore, a competition mechanism was found for the oxygen transport during early stage oxidation in Si(100) surface. At room temperature, the oxygen transport was governed by the blocking effect of compressive stress, so a better quality oxide film with more uniform interface and more stoichiometric oxide structure was obtained. Indeed, the mechanism presented in this work is also applicable for other self-limiting oxidation (e.g. metal oxidation) and is helpful for the design of high-performance electronic devices.

  18. Development studies of a novel wet oxidation process

    Rogers, T.W.; Dhooge, P.M.

    1995-01-01

    Many DOE waste streams and remediates contain complex and variable mixtures of organic compounds, toxic metals, and radionuclides. These materials are often dispersed in organic or inorganic matrices, such as personal protective equipment, various sludges, soils, and water. Incineration and similar combustive processes do not appear to be viable options for treatment of these waste streams due to various considerations. The objective of this project is to develop a novel catalytic wet oxidation process for the treatment of multi-component wastes. The DETOX process uses a unique combination of metal catalysts to increase the rate of oxidation of organic materials

  19. Development studies of a novel wet oxidation process

    Rogers, T.W.; Dhooge, P.M. [Delphi Research, Inc., Albuquerque, NM (United States)

    1995-10-01

    Many DOE waste streams and remediates contain complex and variable mixtures of organic compounds, toxic metals, and radionuclides. These materials are often dispersed in organic or inorganic matrices, such as personal protective equipment, various sludges, soils, and water. Incineration and similar combustive processes do not appear to be viable options for treatment of these waste streams due to various considerations. The objective of this project is to develop a novel catalytic wet oxidation process for the treatment of multi-component wastes. The DETOX process uses a unique combination of metal catalysts to increase the rate of oxidation of organic materials.

  20. Oxidizing attack process of uranium ore by a carbonated liquor

    Maurel, Pierre; Nicolas, Francois.

    1981-01-01

    A continuous process for digesting a uraniferous ore by oxidation with a recycling aqueous liquor containing alkaline carbonates and bicarbonates in solution as well as uranium in a concentration close to its solubility limit at digestion temperature, and of recuperation of the precipitated uranium within the solid phase remaining after digestion. The digestion is carried out by spraying oxygen into the hot reactional medium in order not only to permit oxidation of the uranium and its solubilization but also to ensure that the sulphides of impurities and organic substances present in the ore are oxidized [fr

  1. Physical-Mathematical Model for Fixed-Bed Solid Fuel Gasification Process Simulation

    Slyusarskiy Konstantin V.

    2017-01-01

    Full Text Available Phycial-mathmatical model for fixed-bed coal gasification process simulation is proposed. The heterogeneous carbon oxidation chemical reactions were simulated via Arrhenius equation while homogeneous reactions in gas phase were calculated using Gibbs free energy minimization procedure. The syngas component concentration field and fuel conversion distribution as well as syngas final temperature and composition were defined for fixed bed gasification of T-grade coal of Kuznetskiy deposit. The optimal fuel residence time and gasifyer specific productivity were defined. The prevail reactions in oxidizing and reduction zones together with its height were defined.

  2. Macro Level Simulation Model Of Space Shuttle Processing

    2000-01-01

    The contents include: 1) Space Shuttle Processing Simulation Model; 2) Knowledge Acquisition; 3) Simulation Input Analysis; 4) Model Applications in Current Shuttle Environment; and 5) Model Applications for Future Reusable Launch Vehicles (RLV's). This paper is presented in viewgraph form.

  3. Simulation of nitrous oxide effluxes, crop yields and soil physical properties using the LandscapeDNDC model in managed ecosystem

    Nyckowiak, Jedrzej; Lesny, Jacek; Haas, Edwin; Juszczak, Radoslaw; Kiese, Ralf; Butterbach-Bahl, Klaus; Olejnik, Janusz

    2014-05-01

    Modeling of nitrous oxide emissions from soil is very complex. Many different biological and chemical processes take place in soils which determine the amount of emitted nitrous oxide. Additionaly, biogeochemical models contain many detailed factors which may determine fluxes and other simulated variables. We used the LandscapeDNDC model in order to simulate N2O emissions, crop yields and soil physical properties from mineral cultivated soils in Poland. Nitrous oxide emissions from soils were modeled for fields with winter wheat, winter rye, spring barley, triticale, potatoes and alfalfa crops. Simulations were carried out for the plots of the Brody arable experimental station of Poznan University of Life Science in western Poland and covered the period 2003 - 2012. The model accuracy and its efficiency was determined by comparing simulations result with measurements of nitrous oxide emissions (measured with static chambers) from about 40 field campaigns. N2O emissions are strongly dependent on temperature and soil water content, hence we compared also simulated soil temperature at 10cm depth and soil water content at the same depth with the daily measured values of these driving variables. We compared also simulated yield quantities for each individual experimental plots with yield quantities which were measured in the period 2003-2012. We conclude that the LandscapeDNDC model is capable to simulate soil N2O emissions, crop yields and physical properties of soil with satisfactorily good accuracy and efficiency.

  4. Automated input data management in manufacturing process simulation

    Ettefaghian, Alireza

    2015-01-01

    Input Data Management (IDM) is a time consuming and costly process for Discrete Event Simulation (DES) projects. Input Data Management is considered as the basis of real-time process simulation (Bergmann, Stelzer and Strassburger, 2011). According to Bengtsson et al. (2009), data input phase constitutes on the average about 31% of the time of an entire simulation project. Moreover, the lack of interoperability between manufacturing applications and simulation software leads to a high cost to ...

  5. Powder processing of high Tc oxide superconductors and their properties

    Vajpei, A.C.; Upadhyaya, G.S.

    1992-01-01

    Powder processing of ceramics is an established technology and in the area of high T c superconductors, its importance is felt even more significantly. The present monograph is an attempt in this direction to explore the perspectives and practice of powder processing routes towards control and optimization of the microstructure and pertinent properties of high T c oxide superconductors. The monograph consists of 6 chapters. After a very brief introduction (Chapter 1), Chapter 2 describes various classes of high T c oxide superconductors and their phase equilibria. Chapter 3 highlights the preparation of oxide superconductor powders through various routes and details their subtle distinctions. Chapter 4 briefly covers characterisation of the oxide superconductors, laying emphasis on the process-analysis and microstructure. Chapter 5 describes in detail various fabrication techniques for bulk superconductors through the powder routes. The last Chapter (Chapter 6) describing properties of bulk oxide superconductors, discusses the role of subtituents, compositional variations and processing methods on such properties. References are given at the end of each chapter. (orig.)

  6. Recovery of calcium from the effluent of direct oxide reduction process

    Ferro, P.; Mishra, B.; Olson, D.L.; Moore, J.J.; Averill, W.A.

    1992-01-01

    This paper reports that the production of plutonium by Direct Oxide Reduction [DOR] process using calcium generates significant amount of contaminated waste as calcium oxide saturated calcium chloride salt mix with calcium oxide content of up to 15 wt. pct. Fused salt electrolysis of a simulated slat mix [CaCl 2 + 15 wt. pct. CaO] is being carried out to election calcium, which can be recycled to the DOR rector along with the calcium chloride salt or may be used in-situ in an combined DOR and electrowinning process. The technology will resolve a major contaminated waste disposal problem, besides improving the cost and process efficiency in radioactive metal production. The process is being optimized in terms of the calcium solubility, cell temperature, current density and cell design to maximize the current efficiency. Scattered information is available regarding the solubility of calcium in calcium chloride salt in the present of calcium oxide. The solubility has also been found to depend on the use of graphite as the anode material. A porous ceramic sheath is being used around the anode to prevent the dissolution of electrowon calcium as oxide or carbonate and to prevent the contamination of salt by the anodic carbon. The electrode reactions are affected by the electrolyte composition and its viscosity which varies with time in this process and, therefore, electrochemical impedance is being measured to understand this time-dependent mechanisms

  7. Study of the Radical Chain Mechanism of Hydrocarbon Oxidation for In Situ Combustion Process

    Alexandra Ushakova

    2017-01-01

    Full Text Available Despite the abundance of in situ combustion models of oil oxidation, many of the effects are still beyond consideration. For example, until now, initial stages of oxidation were not considered from a position of radical chain process. This is a serious difficulty for the simulation of oil recovery process that involves air injection. To investigate the initial stages of oxidation, the paper considers the sequence of chemical reactions, including intermediate short-living compounds and radicals. We have attempted to correlate the main stages of the reaction with areas of heat release observed in the experiments. The system of differential equations based on the equations of oxidation reactions was solved. Time dependence of peroxides formation and start of heat release is analytically derived for the initial stages. We have considered the inhibition of initial oxidation stages by aromatic oil compounds and have studied the induction time in dependence on temperature. Chain ignition criteria for paraffins and crude oil in presence of core samples were obtained. The calculation results are compared with the stages of oxidation that arise by high-pressure differential scanning calorimetry. According to experimental observations we have determined which reactions are important for the process and which can be omitted or combined into one as insignificant.

  8. Thermal processing and native oxidation of silicon nanoparticles

    Winters, Brandon J.; Holm, Jason; Roberts, Jeffrey T.

    2011-01-01

    In this study, Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and electron energy loss spectroscopy (EELS) were used to investigate in-air oxidation of silicon nanoparticles ca. 11 nm in diameter. Particle samples were prepared first by extracting them from an RF plasma synthesis reactor, and then heating them in an inert carrier gas stream. The resulting particles had varying surface hydrogen coverages and relative amounts of SiH x (x = 1, 2, and 3), depending on the temperature to which they had been heated. The particles were allowed to oxidize in-air for several weeks. FTIR, XPS, and EELS analyses that were performed during this period clearly establish that adsorbed hydrogen retards oxidation, although in complex ways. In particular, particles that have been heated to intermediate hydrogen coverages oxidize more slowly in air than do freshly generated particles that have a much higher hydrogen content. In addition, the loss of surface hydride species at high processing temperatures results in fast initial oxidation and the formation of a self-limiting oxide layer. Analogous measurements made on deuterium-covered particles show broadly similar behavior; i.e., that oxidation is the slowest at some intermediate coverage of adsorbed deuterium.

  9. Process for removal of sulfur oxides from hot gases

    Bauerle, G. L.; Kohl, A. L.

    1984-01-01

    A process for the removal of sulfur oxides from two gas streams containing the same. One gas stream is introduced into a spray dryer zone and contacted with a finely dispersed spray of an aqueous medium containing an absorbent for sulfur oxides. The aqueous medium is introduced at a controlled rate so as to provide water to the gas in an amount to produce a cooled product gas having a temperature at least 7 0 C. above its adiabatic saturation temperature and from about 125-300% of the stoichiometric amount of absorbent required to react with the sulfur oxides to be removed from the gas stream. The effluent from the spray dryer zone comprises a gas stream of reduced sulfur oxide content and contains entrained dry particulate reaction products including unreacted absorbent. This gas stream is then introduced into a particulate removal zone from which is withdrawn a gas stream substantially free of particles and having a reduced sulfur oxide content. the dry particulate reaction products are collected and utilized as a source of absorbent for a second aqueous scrubbing medium containing unreacted absorbent for the sulfur oxides. An effluent gas stream is withdrawn from the aqueous scrubbing zone and comprises a water-saturated gas stream of reduced sulfur oxide content and substantially free of particles. The effluent gas streams from the particulate removal zone and the aqueous scrubbing zone are combined in such proportions that the combined gas stream has a temperature above its adiabatic saturation temperature

  10. Treatment of uranium turning with the controllable oxidizing process

    Shen Bingyi; Zhang Yonggang; Zhen Huikuan

    1989-02-01

    The concept, procedure and safety measures of the controllable oxidizing for uranium turning is described. The feasibility study on technological process has been made. The process provided several advantages such as: simplicity of operation, no pollution environment, safety, high efficiency and low energy consumption. The process can yield nuclear pure uranium dioxide under making no use of a great number of chemical reagent. It may supply raw material for fluoration and provide a simply method of treatment for safe store of uranium turning

  11. OXIDATIVE STRESS AND VASCULAR DAMAGE IN HYPOXIA PROCESSES. MALONDIALDEHYDE (MDA AS BIOMARKER FOR OXIDATIVE DAMAGE

    Muñiz P

    2014-05-01

    Full Text Available Changes in the levels oxidative stress biomarkers are related with different diseases such as ischemia/reperfusion, cardiovascular, renal, aging, etc. One of these biomarkers is the malondialdehyde (MDA generated as resulted of the process of lipid peroxidation. This biomarker is increased under conditions of the oxidative stress. Their levels, have been frequently used to measure plasma oxidative damage to lipids by their atherogenic potential. Its half-life high and their reactivity allows it to act both inside and outside of cells and interaction with proteins and DNA involve their role in different pathophysiological processes. This paper presents an analysis of the use of MDA as a biomarker of oxidative stress and its implications associated pathologies such as cardiovascular diseases ago.

  12. Process for the fabrication of nuclear fuel oxide pellets

    Francois, Bernard; Paradis, Yves.

    1977-01-01

    Process for the fabrication of nuclear fuel oxide pellets of the type for which particles charged with an organic binder -selected from the group that includes polyvinyl alcohol, carboxymethyl cellulose, polyvinyl compounds and methyl cellulose- are prepared from a powder of such an oxide, for instance uranium dioxide. These particles are then compressed into pellets which are then sintered. Under this process the binder charged particles are prepared by stirring the powder with a gas, spraying on to the stirred powder a solution or a suspension in a liquid of this organic binder in order to obtain these particles and then drying the particles so obtained with this gas [fr

  13. LITERATURE REVIEW FOR OXALATE OXIDATION PROCESSES AND PLUTONIUM OXALATE SOLUBILITY

    Nash, C.

    2012-02-03

    A literature review of oxalate oxidation processes finds that manganese(II)-catalyzed nitric acid oxidation of oxalate in precipitate filtrate is a viable and well-documented process. The process has been operated on the large scale at Savannah River in the past, including oxidation of 20 tons of oxalic acid in F-Canyon. Research data under a variety of conditions show the process to be robust. This process is recommended for oxalate destruction in H-Canyon in the upcoming program to produce feed for the MOX facility. Prevention of plutonium oxalate precipitation in filtrate can be achieved by concentrated nitric acid/ferric nitrate sequestration of oxalate. Organic complexants do not appear practical to sequester plutonium. Testing is proposed to confirm the literature and calculation findings of this review at projected operating conditions for the upcoming campaign. H Canyon plans to commence conversion of plutonium metal to low-fired plutonium oxide in 2012 for eventual use in the Mixed Oxide Fuel (MOX) Facility. The flowsheet includes sequential operations of metal dissolution, ion exchange, elution, oxalate precipitation, filtration, and calcination. All processes beyond dissolution will occur in HB-Line. The filtration step produces an aqueous filtrate that may have as much as 4 M nitric acid and 0.15 M oxalate. The oxalate needs to be removed from the stream to prevent possible downstream precipitation of residual plutonium when the solution is processed in H Canyon. In addition, sending the oxalate to the waste tank farm is undesirable. This report addresses the processing options for destroying the oxalate in existing H Canyon equipment.

  14. Evaluation of pretreatment processes for supercritical water oxidation

    Barnes, C.M.

    1994-01-01

    This report evaluates processes to chemically treat US Department of Energy wastes to remove organic halogens, phosphorus, and sulfur. Chemical equilibrium calculations, process simulations, and responses from developers and licensors form the basis for comparisons. Gas-phase catalytic hydrogenation processes, strong base and base catalyzed processes, high pressure hydrolysis, and other emerging or commercial dehalogenation processes (both liquid and mixed phase) were considered. Cost estimates for full-scale processes and demonstration testing are given. Based on the evaluation, testing of a hydrogenation process and a strong base process are recommended

  15. Evaluation of pretreatment processes for supercritical water oxidation

    Barnes, C.M.

    1994-01-01

    This report evaluates processes to chemically treat US Department of Energy wastes to remove organic halogens, phosphorus, and sulfur. Chemical equilibrium calculations, process simulations, and responses from developers and licensors form the basis for comparisons. Gas-phase catalytic hydrogenation processes, strong base and base catalyzed processes, high pressure hydrolysis, and other emerging or commercial dehalogenation processes (both liquid and mixed phase) were considered. Cost estimates for full-scale processes and demonstration testing are given. Based on the evaluation, testing of a hydrogenation process and a strong base process are recommended.

  16. Transient simulation of regression rate on thrust regulation process in hybrid rocket motor

    Tian Hui

    2014-12-01

    Full Text Available The main goal of this paper is to study the characteristics of regression rate of solid grain during thrust regulation process. For this purpose, an unsteady numerical model of regression rate is established. Gas–solid coupling is considered between the solid grain surface and combustion gas. Dynamic mesh is used to simulate the regression process of the solid fuel surface. Based on this model, numerical simulations on a H2O2/HTPB (hydroxyl-terminated polybutadiene hybrid motor have been performed in the flow control process. The simulation results show that under the step change of the oxidizer mass flow rate condition, the regression rate cannot reach a stable value instantly because the flow field requires a short time period to adjust. The regression rate increases with the linear gain of oxidizer mass flow rate, and has a higher slope than the relative inlet function of oxidizer flow rate. A shorter regulation time can cause a higher regression rate during regulation process. The results also show that transient calculation can better simulate the instantaneous regression rate in the operation process.

  17. Dynamic simulations on the mitochondrial fatty acid Beta-oxidation network

    Weinberger Klaus M

    2009-01-01

    be the explanation that no human cases of LCAD deficiency have been described. Conclusion In summary, this work provides a detailed kinetic model of mitochondrial metabolism with specific focus on fatty acid β-oxidation to simulate and predict the dynamic response of that metabolic network in the context of human disease. Our findings offer insight into the disease process (e.g. rapid progress to coma and might confirm new explanations (no human cases of LCAD deficiency, which can hardly be obtained from experimental data alone.

  18. Understanding flocculation mechanism of graphene oxide for organic dyes from water: Experimental and molecular dynamics simulation

    Jun Liu

    2015-11-01

    Full Text Available Flocculation treatment processes play an important role in water and wastewater pretreatment. Here we investigate experimentally and theoretically the possibility of using graphene oxide (GO as a flocculant to remove methylene blue (MB from water. Experimental results show that GO can remove almost all MB from aqueous solutions at its optimal dosages and molecular dynamics simulations indicate that MB cations quickly congregate around GO in water. Furthermore, PIXEL energy contribution analysis reveals that most of the strong interactions between GO and MB are of a van der Waals (London dispersion character. These results offer new insights for shedding light on the molecular mechanism of interaction between GO and organic pollutants.

  19. Molecular dynamics simulations of the adsorption of DNA segments onto graphene oxide

    Chen, Junlang; Chen, Shude; Chen, Liang; Wang, Yu

    2014-01-01

    Molecular dynamics simulations were performed to investigate the dynamic process of DNA segments’ adsorption on graphene oxide (GO) in aqueous solution. We find that DNA segments finally ‘stand on’ GO’s surface. Due to energy penalty and electrostatic repulsion, DNA segments cannot lie on the surface of GO with their helical axes parallel to GO’s surface. Both π–π stacking and electrostatic interactions contribute to their binding affinity between the contacting basepair and GO. The results are of great importance to understand the interactions between DNA segments and GO. (paper)

  20. A Software Development Simulation Model of a Spiral Process

    Carolyn Mizell; Linda Malone

    2009-01-01

    This paper will present a discrete event simulation model of a spiral development lifecycle that can be used to analyze cost and schedule effects of using such a process in comparison to a waterfall process. There is a need for simulation models of software development processes other than the waterfall due to new processes becoming more widely used in order to overcome the limitations of the traditional waterfall lifecycle. The use of a spiral process can make the inherently difficult job of...

  1. Iron-oxidation processes in an electroflocculation (electrocoagulation) cell

    Sasson, Moshe Ben, E-mail: mosheinspain@hotmail.com [Department of Soil and Water Sciences, Robert H. Smith Faculty of Agriculture, Food and Environment, Hebrew University of Jerusalem, Rehovot 76100 (Israel); Calmano, Wolfgang [Institute of Environmental Technology and Energy Economics, Technical University of Hamburg-Harburg, 21073 Hamburg (Germany); Adin, Avner [Department of Soil and Water Sciences, Robert H. Smith Faculty of Agriculture, Food and Environment, Hebrew University of Jerusalem, Rehovot 76100 (Israel)

    2009-11-15

    The processes of iron oxidation in an electroflocculation cell were investigated for a pH range of 5-9 and electric currents of 0.05-0.4 A (equivalent current densities of 8.6-69 A/m{sup 2}). At all pH values and electric currents investigated, it was demonstrated and proven that for all practical purposes, the form of iron that dissolves from the anode is Fe{sup 2+} (ferrous). The difference between the amount of theoretical dissolution as calculated by Faraday's law and the amount of observed dissolved iron ions may indicate two phenomena in electrochemical cells. The first is possible dissolution of the anode even without the operation of an electric current; this led to higher theoretical dissolution rates at lower pH. The second is the participation of some of the electrons of the electric current in reactions other than anode dissolution which led to lower theoretical dissolution rates at higher pH. Those other reactions did not lead to an increase in the local oxidation saturation level near the anode and did not affect iron-oxidation rates in the electroflocculation processes. The oxidation rates of the dissolved Fe{sup 2+} (ferrous) to Fe{sup 3+} (ferric) ions in electroflocculation processes were strongly dependent on the pH and were similar to the known oxidation rates of iron in non-electrochemical cells.

  2. Iron-oxidation processes in an electroflocculation (electrocoagulation) cell

    Sasson, Moshe Ben; Calmano, Wolfgang; Adin, Avner

    2009-01-01

    The processes of iron oxidation in an electroflocculation cell were investigated for a pH range of 5-9 and electric currents of 0.05-0.4 A (equivalent current densities of 8.6-69 A/m 2 ). At all pH values and electric currents investigated, it was demonstrated and proven that for all practical purposes, the form of iron that dissolves from the anode is Fe 2+ (ferrous). The difference between the amount of theoretical dissolution as calculated by Faraday's law and the amount of observed dissolved iron ions may indicate two phenomena in electrochemical cells. The first is possible dissolution of the anode even without the operation of an electric current; this led to higher theoretical dissolution rates at lower pH. The second is the participation of some of the electrons of the electric current in reactions other than anode dissolution which led to lower theoretical dissolution rates at higher pH. Those other reactions did not lead to an increase in the local oxidation saturation level near the anode and did not affect iron-oxidation rates in the electroflocculation processes. The oxidation rates of the dissolved Fe 2+ (ferrous) to Fe 3+ (ferric) ions in electroflocculation processes were strongly dependent on the pH and were similar to the known oxidation rates of iron in non-electrochemical cells.

  3. Simulation of uranium transport with variable temperature and oxidation potential: The computer program THCC [Thermo-Hydro-Chemical Coupling

    Carnahan, C.L.

    1986-12-01

    A simulator of reactive chemical transport has been constructed with the capabilities of treating variable temperatures and variable oxidation potentials within a single simulation. Homogeneous and heterogeneous chemical reactions are simulated at temperature-dependent equilibrium, and changes of oxidation states of multivalent elements can be simulated during transport. Chemical mass action relations for formation of complexes in the fluid phase are included explicitly within the partial differential equations of transport, and a special algorithm greatly simplifies treatment of reversible precipitation of solid phases. This approach allows direct solution of the complete set of governing equations for concentrations of all aqueous species and solids affected simultaneously by chemical and physical processes. Results of example simulations of transport, along a temperature gradient, of uranium solution species under conditions of varying pH and oxidation potential and with reversible precipitation of uraninite and coffinite are presented. The examples illustrate how inclusion of variable temperature and oxidation potential in numerical simulators can enhance understanding of the chemical mechanisms affecting migration of multivalent waste elements

  4. Spatial simulation exploring pattern and process

    O'Sullivan, David

    2013-01-01

    A ground-up approach to explaining dynamic social modelling for an interdisciplinary audience. Across broad areas of the environmental and social sciences, simulation models are  an important way to study systems inaccessible to scientific experimental and observational methods, and also an essential complement to those more conventional approaches.  The contemporary research literature is teeming with abstract simulation models whose presentation is mathematically demanding and requires a high level of knowledge of quantitative and computational methods and approaches.  Furthermore, simulat

  5. Simulation of 3D mesoscale structure formation in concentrated aqueous solution of the triblock polymer surfactants (ethylene oxide)(13)(propylene oxide)(30)(ethylene oxide)(13) and (propylene oxide)(19)(ethylene oxide)(33)(propylene oxide)(19). Application of dynamic mean-field density functional theory

    van Vlimmeren, BAC; Maurits, NM; Zvelindovsky, AV; Sevink, GJA; Fraaije, JGEM

    1999-01-01

    We simulate the microphase separation dynamics of aqueous solutions of the triblock polymer surfactants (ethylene oxide)(13)(propylene oxide)(30)(ethylene oxide)(13) and (propylene oxide)(19)(ethylene oxide)(33)(propylene oxide)(19) by a dynamic variant of mean-field density functional theory for

  6. Petroleum Refinery Effluents Treatment by Advanced Oxidation Process with Methanol

    Shoucheng, Wen [Yangtze Univ., HuBei Jingzhou (China)

    2014-02-15

    Petroleum refinery effluents are waste originating from industries primarily engaged in refining crude oil. It is a very complex compound of various oily wastes, water, heavy metals and so on. Conventional processes are unable to effectively remove the chemical oxygen demand (COD) of petroleum refinery effluents. Supercritical water oxidation (SCWO) was proposed to treat petroleum refinery effluents. In this paper, methanol was used to investigate co-oxidative effect of methanol on petroleum refinery effluents treatment. The results indicated that supercritical water oxidation is an effective process for petroleum refinery effluents treatment. Adding methanol caused an increase in COD removal. When reaction temperature is 440 .deg. C, residence time is 20 min, OE is 0.5 and initial COD is 40000 mg/L, and COD removal increases 8.5%.

  7. Petroleum Refinery Effluents Treatment by Advanced Oxidation Process with Methanol

    Shoucheng, Wen

    2014-01-01

    Petroleum refinery effluents are waste originating from industries primarily engaged in refining crude oil. It is a very complex compound of various oily wastes, water, heavy metals and so on. Conventional processes are unable to effectively remove the chemical oxygen demand (COD) of petroleum refinery effluents. Supercritical water oxidation (SCWO) was proposed to treat petroleum refinery effluents. In this paper, methanol was used to investigate co-oxidative effect of methanol on petroleum refinery effluents treatment. The results indicated that supercritical water oxidation is an effective process for petroleum refinery effluents treatment. Adding methanol caused an increase in COD removal. When reaction temperature is 440 .deg. C, residence time is 20 min, OE is 0.5 and initial COD is 40000 mg/L, and COD removal increases 8.5%

  8. Effect of processing on structural features of anodic aluminum oxides

    Erdogan, Pembe; Birol, Yucel

    2012-09-01

    Morphological features of the anodic aluminum oxide (AAO) templates fabricated by electrochemical oxidation under different processing conditions were investigated. The selection of the polishing parameters does not appear to be critical as long as the aluminum substrate is polished adequately prior to the anodization process. AAO layers with a highly ordered pore distribution are obtained after anodizing in 0.6 M oxalic acid at 20 °C under 40 V for 5 minutes suggesting that the desired pore features are attained once an oxide layer develops on the surface. While the pore features are not affected much, the thickness of the AAO template increases with increasing anodization treatment time. Pore features are better and the AAO growth rate is higher at 20 °C than at 5 °C; higher under 45 V than under 40 V; higher with 0.6 M than with 0.3 M oxalic acid.

  9. The GC computer code for flow sheet simulation of pyrochemical processing of spent nuclear fuels

    Ahluwalia, R.K.; Geyer, H.K.

    1996-01-01

    The GC computer code has been developed for flow sheet simulation of pyrochemical processing of spent nuclear fuel. It utilizes a robust algorithm SLG for analyzing simultaneous chemical reactions between species distributed across many phases. Models have been developed for analysis of the oxide fuel reduction process, salt recovery by electrochemical decomposition of lithium oxide, uranium separation from the reduced fuel by electrorefining, and extraction of fission products into liquid cadmium. The versatility of GC is demonstrated by applying the code to a flow sheet of current interest

  10. Surface Dynamic Process Simulation with the Use of Cellular Automata

    Adamska-Szatko, M.; Bala, J.

    2010-01-01

    Cellular automata are known for many applications, especially for physical and biological simulations. Universal cellular automata can be used for modelling complex natural phenomena. The paper presents simulation of surface dynamic process. Simulation uses 2-dimensional cellular automata algorithm. Modelling and visualisation were created by in-house developed software with standard OpenGL graphic library. (authors)

  11. Process simulation for advanced composites production

    Allendorf, M.D.; Ferko, S.M.; Griffiths, S. [Sandia National Labs., Livermore, CA (United States)] [and others

    1997-04-01

    The objective of this project is to improve the efficiency and lower the cost of chemical vapor deposition (CVD) processes used to manufacture advanced ceramics by providing the physical and chemical understanding necessary to optimize and control these processes. Project deliverables include: numerical process models; databases of thermodynamic and kinetic information related to the deposition process; and process sensors and software algorithms that can be used for process control. Target manufacturing techniques include CVD fiber coating technologies (used to deposit interfacial coatings on continuous fiber ceramic preforms), chemical vapor infiltration, thin-film deposition processes used in the glass industry, and coating techniques used to deposit wear-, abrasion-, and corrosion-resistant coatings for use in the pulp and paper, metals processing, and aluminum industries.

  12. Atomistic simulations of the radiation resistance of oxides

    Chartier, A.; Van Brutzel, L.; Crocombette, J.-P.

    2012-01-01

    Fluorite compounds such as urania and ceria, or related compounds such as pyrochlores and also spinels show different behaviors under irradiations, which ranges from perfect radiation resistance to crystalline phase change or even complete amorphization depending on their structure and/or their composition. Displacement cascades – dedicated to the understanding of the ballistic regime and performed by empirical potentials molecular dynamics simulations – have revealed that the remaining damages of the above mentioned oxides are reduced to point defects unlike what is observed in zircon and zirconolite, which directly amorphize during the cascade. The variable behavior of these point defects is the key of the various responses of these materials to irradiations. This behavior can be investigated by two specific molecular dynamics methodologies that will be reviewed here: (i) the method of point defects accumulation as a function of temperature that gives access to the dose effects and to the critical doses for amorphization; (ii) the study Frenkel pairs life-time – i.e. their time of recombination as function of temperature – that may be used as a tool to understand the results obtained in displacements cascades or to identify the microscopic mechanisms responsible for the amorphization/re-crystallization during the point defects accumulations.

  13. Role of computational efficiency in process simulation

    Kurt Strand

    1989-07-01

    Full Text Available It is demonstrated how efficient numerical algorithms may be combined to yield a powerful environment for analysing and simulating dynamic systems. The importance of using efficient numerical algorithms is emphasized and demonstrated through examples from the petrochemical industry.

  14. Thermal imaging of solid oxide fuel cell anode processes

    Pomfret, Michael B.; Kidwell, David A.; Owrutsky, Jeffrey C. [Chemistry Division, U.S. Naval Research Laboratory, Washington, DC 20375 (United States); Steinhurst, Daniel A. [Nova Research Inc., Alexandria, VA 22308 (United States)

    2010-01-01

    A Si-charge-coupled device (CCD), camera-based, near-infrared imaging system is demonstrated on Ni/yttria-stabilized zirconia (YSZ) fragments and the anodes of working solid oxide fuel cells (SOFCs). NiO reduction to Ni by H{sub 2} and carbon deposition lead to the fragment cooling by 5 {+-} 2 C and 16 {+-} 1 C, respectively. When air is flowed over the fragments, the temperature rises 24 {+-} 1 C as carbon and Ni are oxidized. In an operational SOFC, the decrease in temperature with carbon deposition is only 4.0 {+-} 0.1 C as the process is moderated by the presence of oxides and water. Electrochemical oxidation of carbon deposits results in a {delta}T of +2.2 {+-} 0.2 C, demonstrating that electrochemical oxidation is less vigorous than atmospheric oxidation. While the high temperatures of SOFCs are challenging in many respects, they facilitate thermal imaging because their emission overlaps the spectral response of inexpensive Si-CCD cameras. Using Si-CCD cameras has advantages in terms of cost, resolution, and convenience compared to mid-infrared thermal cameras. High spatial ({proportional_to}0.1 mm) and temperature ({proportional_to}0.1 C) resolutions are achieved in this system. This approach provides a convenient and effective analytical technique for investigating the effects of anode chemistry in operating SOFCs. (author)

  15. Thermal imaging of solid oxide fuel cell anode processes

    Pomfret, Michael B.; Steinhurst, Daniel A.; Kidwell, David A.; Owrutsky, Jeffrey C.

    A Si-charge-coupled device (CCD), camera-based, near-infrared imaging system is demonstrated on Ni/yttria-stabilized zirconia (YSZ) fragments and the anodes of working solid oxide fuel cells (SOFCs). NiO reduction to Ni by H 2 and carbon deposition lead to the fragment cooling by 5 ± 2 °C and 16 ± 1 °C, respectively. When air is flowed over the fragments, the temperature rises 24 ± 1 °C as carbon and Ni are oxidized. In an operational SOFC, the decrease in temperature with carbon deposition is only 4.0 ± 0.1 °C as the process is moderated by the presence of oxides and water. Electrochemical oxidation of carbon deposits results in a Δ T of +2.2 ± 0.2 °C, demonstrating that electrochemical oxidation is less vigorous than atmospheric oxidation. While the high temperatures of SOFCs are challenging in many respects, they facilitate thermal imaging because their emission overlaps the spectral response of inexpensive Si-CCD cameras. Using Si-CCD cameras has advantages in terms of cost, resolution, and convenience compared to mid-infrared thermal cameras. High spatial (∼0.1 mm) and temperature (∼0.1 °C) resolutions are achieved in this system. This approach provides a convenient and effective analytical technique for investigating the effects of anode chemistry in operating SOFCs.

  16. Removal of ammonia solutions used in catalytic wet oxidation processes.

    Hung, Chang Mao; Lou, Jie Chung; Lin, Chia Hua

    2003-08-01

    Ammonia (NH(3)) is an important product used in the chemical industry, and is common place in industrial wastewater. Industrial wastewater containing ammonia is generally either toxic or has concentrations or temperatures such that direct biological treatment is unfeasible. This investigation used aqueous solutions containing more of ammonia for catalytic liquid-phase oxidation in a trickle-bed reactor (TBR) based on Cu/La/Ce composite catalysts, prepared by co-precipitation of Cu(NO(3))(2), La(NO(3))(2), and Ce(NO(3))(3) at 7:2:1 molar concentrations. The experimental results indicated that the ammonia conversion of the wet oxidation in the presence of the Cu/La/Ce composite catalysts was determined by the Cu/La/Ce catalyst. Minimal ammonia was removed from the solution by the wet oxidation in the absence of any catalyst, while approximately 91% ammonia removal was achieved by wet oxidation over the Cu/La/Ce catalyst at 230 degrees C with oxygen partial pressure of 2.0 MPa. Furthermore, the effluent streams were conducted at a liquid hourly space velocity of under 9 h(-1) in the wet catalytic processes, and a reaction pathway was found linking the oxidizing ammonia to nitric oxide, nitrogen and water. The solution contained by-products, including nitrates and nitrites. Nitrite selectivity was minimized and ammonia removal maximized when the feed ammonia solution had a pH of around 12.0.

  17. Simulation of a Sponge Iron Production Process

    Tor Onshus

    1983-07-01

    Full Text Available A model for reduction of FeO with hydrogen in a countercurrent moving bed reactor is summarized. This model is a special case of a mor ecomplete model which also includes reduction of the higher oxides, hematite and magnetite, with a mixture of reducing gases, thus describing the production of direct-reduced iron from iron ores. Equations governing the heat and mass transfer between the gas and solid phase are not given here, but play an important role in the dynamic bahviour of the model.

  18. Development and Processing of p-type Oxide Thermoelectric Materials

    Wu, NingYu; Van Nong, Ngo

    The main aim of this research is to investigate and develop well-performing p-type thermoelectric oxide materials that are sufficiently stable at high temperatures for power generating applications involving industrial processes. Presently, the challenges facing the widespread implementation...

  19. Aerosol and Photo-Oxidant Processes in the Eastern Mediterranean

    Lazaridis, M.; Spyridaki, A.; Solberg, S.; Smolík, Jiří; Ždímal, Vladimír; Eleftheriadis, K.; Aleksandropoulos, V.; Hov, O.; Georgopoulos, P. G.

    2004-01-01

    Roč. 4, - (2004), s. 5455-5514 ISSN 1680-7367 Grant - others:ENVK2(XE) 1999-00052 Institutional research plan: CEZ:AV0Z4072921 Keywords : aerosol * mesoscale modeling * photo-oxidant processes Subject RIV: CF - Physical ; Theoretical Chemistry

  20. A PROCESS FOR THE CATALYTIC OXIDATION OF HYDROCARBONS

    1999-01-01

    A process for producing an alcohol from a gaseous hydrocarbon, e.g. a lower alkane such as methane, via oxidative reaction of the hydrocarbon in a concentrated sulfuric acid medium in the presence of a catalyst employs an added catalyst comprising a substance selected from iodine, iodine compounds...

  1. Electrochemical advanced oxidation processes: today and tomorrow. A review.

    Sirés, Ignasi; Brillas, Enric; Oturan, Mehmet A; Rodrigo, Manuel A; Panizza, Marco

    2014-01-01

    In recent years, new advanced oxidation processes based on the electrochemical technology, the so-called electrochemical advanced oxidation processes (EAOPs), have been developed for the prevention and remediation of environmental pollution, especially focusing on water streams. These methods are based on the electrochemical generation of a very powerful oxidizing agent, such as the hydroxyl radical ((•)OH) in solution, which is then able to destroy organics up to their mineralization. EAOPs include heterogeneous processes like anodic oxidation and photoelectrocatalysis methods, in which (•)OH are generated at the anode surface either electrochemically or photochemically, and homogeneous processes like electro-Fenton, photoelectro-Fenton, and sonoelectrolysis, in which (•)OH are produced in the bulk solution. This paper presents a general overview of the application of EAOPs on the removal of aqueous organic pollutants, first reviewing the most recent works and then looking to the future. A global perspective on the fundamentals and experimental setups is offered, and laboratory-scale and pilot-scale experiments are examined and discussed.

  2. Electrochemical activity of heavy metal oxides in the process of ...

    Unknown

    2002-02-02

    Feb 2, 2002 ... Electrochemical activity of heavy metal oxides in the process of chloride induced .... decrease of pH value by MeOx, a synergism of acidic and chloride ... inhibitors and their influence on the physical properties of. Portland ...

  3. Recent developments in numerical simulation techniques of thermal recovery processes

    Tamim, M. [Bangladesh University of Engineering and Technology, Bangladesh (Bangladesh); Abou-Kassem, J.H. [Chemical and Petroleum Engineering Department, UAE University, Al-Ain 17555 (United Arab Emirates); Farouq Ali, S.M. [University of Alberta, Alberta (Canada)

    2000-05-01

    Numerical simulation of thermal processes (steam flooding, steam stimulation, SAGD, in-situ combustion, electrical heating, etc.) is an integral part of a thermal project design. The general tendency in the last 10 years has been to use commercial simulators. During the last decade, only a few new models have been reported in the literature. More work has been done to modify and refine solutions to existing problems to improve the efficiency of simulators. The paper discusses some of the recent developments in simulation techniques of thermal processes such as grid refinement, grid orientation, effect of temperature on relative permeability, mathematical models, and solution methods. The various aspects of simulation discussed here promote better understanding of the problems encountered in the simulation of thermal processes and will be of value to both simulator users and developers.

  4. Characterization of depleted uranium oxides fabricated using different processing methods

    Hastings, E.P.; Lewis, C.; FitzPatrick, J.; Rademacher, D.; Tandon, L.

    2008-01-01

    Identifying both physical and chemical characteristics of Special Nuclear Material (SNM) production processes is the corner stone of nuclear forensics. Typically, processing markers are based on measuring an interdicted sample's bulk chemical properties, such as the elemental or isotopic composition, or focusing on the chemical and physical morphology of only a few particles. Therefore, it is imperative that known SNM processes be fully characterized from bulk to trace level for each particle size range. This report outlines a series of particle size measurements and fractionation techniques that can be applied to a bulk SNM powders, categorizing both chemical and physical properties in discrete particle size fractions. This will be demonstrated by characterizing the process signatures of a series of different depleted uranium oxides prepared at increasing firing temperatures (350-1100 deg C). Results will demonstrate how each oxides' material density, particle size distribution, and morphology varies. (author)

  5. Improved Aeration Process - Catalytic Role Of The Iron Oxides In Arsenic Oxidation And Coprecipitation

    Kowalski, Krysztof; Søgaard, Erik Gydesen

    2013-01-01

    Demands for a better drinking water quality, especially concerning arsenic, a compound with many adverse health effects, put a pressure on the utilities to ensure the best treatment technologies that meet nowadays and possible future quality standards. The aim of this paper is to introduce...... an improved aeration process that can also help in developing better arsenic removal treatment. The results present advantages of arsenic oxidation in an aeration process in the presence of ferrihydrite surface that have been shown to adsorb arsenic simultaneously to its oxidation. The presence...

  6. Electrochemistry coupled to (LC-)MS for the simulation of oxidative biotransformation reactions of PAHs.

    Wigger, Tina; Seidel, Albrecht; Karst, Uwe

    2017-06-01

    Electrochemistry coupled to liquid chromatography and mass spectrometry was used for simulating the biological and environmental fate of polycyclic aromatic hydrocarbons (PAHs) as well as for studying the PAH degradation behavior during electrochemical remediation. Pyrene and benzo[a]pyrene were selected as model compounds and oxidized within an electrochemical thin-layer cell equipped with boron-doped diamond electrode. At potentials of 1.2 and 1.6 V vs. Pd/H 2 , quinones were found to be the major oxidation products for both investigated PAHs. These quinones belong to a large group of PAH derivatives referred to as oxygenated PAHs, which have gained increasing attention in recent years due to their high abundance in the environment and their significant toxicity. Separation of oxidation products allowed the identification of two pyrene quinone and three benzo[a]pyrene quinone isomers, all of which are known to be formed via photooxidation and during mammalian metabolism. The good correlation between electrochemically generated PAH quinones and those formed in natural processes was also confirmed by UV irradiation experiments and microsomal incubations. At potentials higher than 2.0 V, further degradation of the initial oxidation products was observed which highlights the capability of electrochemistry to be used as remediation technique. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Automation of the micro-arc oxidation process

    Golubkov, P. E.; Pecherskaya, E. A.; Karpanin, O. V.; Shepeleva, Y. V.; Zinchenko, T. O.; Artamonov, D. V.

    2017-11-01

    At present the significantly increased interest in micro-arc oxidation (MAO) encourages scientists to look for the solution of the problem of this technological process controllability. To solve this problem an automated technological installation MAO was developed, its structure and control principles are presented in this article. This device will allow to provide the controlled synthesis of MAO coatings and to identify MAO process patterns which contributes to commercialization of this technology.

  8. Integrative device and process of oxidization, degassing, acidity adjustment of 1BP from APOR process

    Zuo, Chen; Zheng, Weifang, E-mail: wfazh@ciae.ac.cn; Yan, Taihong; He, Hui; Li, Gaoliang; Chang, Shangwen; Li, Chuanbo; Yuan, Zhongwei

    2016-02-15

    Graphical abstract: Previous (left) and present (right) device of oxidation, degassing, acidity adjustment of 1BP. - Highlights: • We designed an integrative device and process. • The utilization efficiency of N{sub 2}O{sub 4} is increased significantly. • Our work results in considerable simplification of the device. • Process parameters are determined by experiments. - Abstract: Device and process of oxidization, degassing, acidity adjustment of 1BP (The Pu production feed from U/Pu separation section) from APOR process (Advanced Purex Process based on Organic Reductants) were improved through rational design and experiments. The device was simplified and the process parameters, such as feed position and flow ratio, were determined by experiments. Based on this new device and process, the reductants N,N-dimethylhydroxylamine (DMHAN) and methylhydrazine (MMH) in 1BP solution could be oxidized with much less N{sub 2}O{sub 4} consumption.

  9. Process simulation support in BPM tools: The case of BPMN

    Freitas, António Paulo; Pereira, José Luís Mota

    2015-01-01

    Due to the increasing acceptance of BPM, nowadays BPM tools are extensively used in organizations. Core to BPM are the process modeling languages, of which BPMN is the one that has been receiving most attention these days. Once a business process is described using BPMN, one can use a process simulation approach in order to find its optimized form. In this context, the simulation of business processes, such as those defined in BPMN, appears as an obvious way of improving pro...

  10. Development studies of a novel wet oxidation process

    Rogers, T.W.; Dhooge, P.M.

    1995-01-01

    Many DOE waste streams and remediates contain complex and variable mixtures of organic compounds, toxic metals, and radionuclides. These materials are often dispersed in organic or inorganic matrices, such as personal protective equipment, various sludges, soils, and water. Incineration and similar combustive processes do not appear to be viable options for treatment of these waste streams due to various considerations. There is a need for non-combustion processes with a wide application range to treat the large majority of these waste forms. The non-combustion process should also be safe, effective, cost-competitive, permit-able, and preferrably mobile. This paper describes the DETOX process of organic waste oxidation

  11. A Process for Comparing Dynamics of Distributed Space Systems Simulations

    Cures, Edwin Z.; Jackson, Albert A.; Morris, Jeffery C.

    2009-01-01

    The paper describes a process that was developed for comparing the primary orbital dynamics behavior between space systems distributed simulations. This process is used to characterize and understand the fundamental fidelities and compatibilities of the modeling of orbital dynamics between spacecraft simulations. This is required for high-latency distributed simulations such as NASA s Integrated Mission Simulation and must be understood when reporting results from simulation executions. This paper presents 10 principal comparison tests along with their rationale and examples of the results. The Integrated Mission Simulation (IMSim) (formerly know as the Distributed Space Exploration Simulation (DSES)) is a NASA research and development project focusing on the technologies and processes that are related to the collaborative simulation of complex space systems involved in the exploration of our solar system. Currently, the NASA centers that are actively participating in the IMSim project are the Ames Research Center, the Jet Propulsion Laboratory (JPL), the Johnson Space Center (JSC), the Kennedy Space Center, the Langley Research Center and the Marshall Space Flight Center. In concept, each center participating in IMSim has its own set of simulation models and environment(s). These simulation tools are used to build the various simulation products that are used for scientific investigation, engineering analysis, system design, training, planning, operations and more. Working individually, these production simulations provide important data to various NASA projects.

  12. Collaborative simulation method with spatiotemporal synchronization process control

    Zou, Yisheng; Ding, Guofu; Zhang, Weihua; Zhang, Jian; Qin, Shengfeng; Tan, John Kian

    2016-10-01

    When designing a complex mechatronics system, such as high speed trains, it is relatively difficult to effectively simulate the entire system's dynamic behaviors because it involves multi-disciplinary subsystems. Currently,a most practical approach for multi-disciplinary simulation is interface based coupling simulation method, but it faces a twofold challenge: spatial and time unsynchronizations among multi-directional coupling simulation of subsystems. A new collaborative simulation method with spatiotemporal synchronization process control is proposed for coupling simulating a given complex mechatronics system across multiple subsystems on different platforms. The method consists of 1) a coupler-based coupling mechanisms to define the interfacing and interaction mechanisms among subsystems, and 2) a simulation process control algorithm to realize the coupling simulation in a spatiotemporal synchronized manner. The test results from a case study show that the proposed method 1) can certainly be used to simulate the sub-systems interactions under different simulation conditions in an engineering system, and 2) effectively supports multi-directional coupling simulation among multi-disciplinary subsystems. This method has been successfully applied in China high speed train design and development processes, demonstrating that it can be applied in a wide range of engineering systems design and simulation with improved efficiency and effectiveness.

  13. PROCESS SIMULATION IN SUPPLY CHAIN USING LOGWARE SOFTWARE

    Sebastian Kot; Beata Åšlusarczyk

    2009-01-01

    The authors present basis of simulation usage in managerial decisionsupport focusing on the supply chain processes. In the beginning the need for simulationis presented, then advantages and disadvantages of simulation experiments and thesimulation tools juxtaposition. Finally the chances of supply chain process simulationusing Logware software are presented.

  14. Simulation of friction stir drilling process

    Vijayabaskar, P.; Hynes, N. Rajesh Jesudoss

    2018-05-01

    The project is the study of the thermal drilling process. The process is a hole forming process in the sheet metals using the heat generated by means of friction. The main advantage of the process over the conventional drilling process is that the holes formed using this process does not need any backing arrangements such as weld nuts, rivet nuts etc. Because the extruded bush itself acts as a supporting structure for the fasteners. This eliminates the need for the access to the backside of the work material for fastening operations. The major factors contributing the thermal drilling operation are the spindle speed and the thrust force required for forming a hole. The process of finding out the suitable thrust force and the speed for drilling a particular material with particular thickness is a tedious process. The process can be simplified by forming a mathematical model by combining the empirical formulae from the literature. These formulae were derived in the literature from the experimental trials by following certain assumptions. In this paper a suitable mathematical model is formed by replicating the experiments and tried to be validated by the results from numerical analysis. The numerical analysis of the model is done using the ANSYS software.

  15. Simulation of nitrous oxide emissions at field scale using the SPACSYS model

    Wu, L.; Rees, R.M.; Tarsitano, D.; Zhang, Xubo; Jones, S.K.; Whitmore, A.P.

    2015-01-01

    Nitrous oxide emitted to the atmosphere via the soil processes of nitrification and denitrification plays an important role in the greenhouse gas balance of the atmosphere and is involved in the destruction of stratospheric ozone. These processes are controlled by biological, physical and chemical factors such as growth and activity of microbes, nitrogen availability, soil temperature and water availability. A comprehensive understanding of these processes embodied in an appropriate model can help develop agricultural mitigation strategies to reduce greenhouse gas emissions, and help with estimating emissions at landscape and regional scales. A detailed module to describe the denitrification and nitrification processes and nitrogenous gas emissions was incorporated into the SPACSYS model to replace an earlier module that used a simplified first-order equation to estimate denitrification and was unable to distinguish the emissions of individual nitrogenous gases. A dataset derived from a Scottish grassland experiment in silage production was used to validate soil moisture in the top 10 cm soil, cut biomass, nitrogen offtake and N 2 O emissions. The comparison between the simulated and observed data suggested that the new module can provide a good representation of these processes and improve prediction of N 2 O emissions. The model provides an opportunity to estimate gaseous N emissions under a wide range of management scenarios in agriculture, and synthesises our understanding of the interaction and regulation of the processes. - Highlights: • Microbe-controlled denitrification and N 2 O emissions were built in SPACSYS. • Simulated outputs agreed well with a Scottish grassland dataset. • The simulated emission factors vary with climate, management and forms of applied N. • SPACSYS is capable of simulating the components in C and N cycling in grassland

  16. Simulation of nitrous oxide emissions at field scale using the SPACSYS model

    Wu, L., E-mail: Lianhai.Wu@rothamsted.ac.uk [Sustainable Soils and Grassland Systems Department, Rothamsted Research, North Wyke, Okehampton EX20 2SB (United Kingdom); Rees, R.M.; Tarsitano, D. [Scotland' s Rural College (SRUC), West Mains Road, Edinburgh EH9 3JG (United Kingdom); Zhang, Xubo [Sustainable Soils and Grassland Systems Department, Rothamsted Research, North Wyke, Okehampton EX20 2SB (United Kingdom); Ministry of Agriculture Key Laboratory of Crop Nutrition and Fertilization, Institute of Agricultural Resources and Regional Planning, Chinese Academy of Agricultural Sciences, Beijing 100081 (China); Jones, S.K. [Scotland' s Rural College (SRUC), West Mains Road, Edinburgh EH9 3JG (United Kingdom); Whitmore, A.P. [Sustainable Soils Grassland Systems Department, Rothamsted Research, Harpenden AL5 2JQ (United Kingdom)

    2015-10-15

    Nitrous oxide emitted to the atmosphere via the soil processes of nitrification and denitrification plays an important role in the greenhouse gas balance of the atmosphere and is involved in the destruction of stratospheric ozone. These processes are controlled by biological, physical and chemical factors such as growth and activity of microbes, nitrogen availability, soil temperature and water availability. A comprehensive understanding of these processes embodied in an appropriate model can help develop agricultural mitigation strategies to reduce greenhouse gas emissions, and help with estimating emissions at landscape and regional scales. A detailed module to describe the denitrification and nitrification processes and nitrogenous gas emissions was incorporated into the SPACSYS model to replace an earlier module that used a simplified first-order equation to estimate denitrification and was unable to distinguish the emissions of individual nitrogenous gases. A dataset derived from a Scottish grassland experiment in silage production was used to validate soil moisture in the top 10 cm soil, cut biomass, nitrogen offtake and N{sub 2}O emissions. The comparison between the simulated and observed data suggested that the new module can provide a good representation of these processes and improve prediction of N{sub 2}O emissions. The model provides an opportunity to estimate gaseous N emissions under a wide range of management scenarios in agriculture, and synthesises our understanding of the interaction and regulation of the processes. - Highlights: • Microbe-controlled denitrification and N{sub 2}O emissions were built in SPACSYS. • Simulated outputs agreed well with a Scottish grassland dataset. • The simulated emission factors vary with climate, management and forms of applied N. • SPACSYS is capable of simulating the components in C and N cycling in grassland.

  17. Simulation for Supporting Scale-Up of a Fluidized Bed Reactor for Advanced Water Oxidation

    Farhana Tisa

    2014-01-01

    Full Text Available 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.

  18. Compaction of lanthanide oxide porous microspheres: experimental approach and numerical simulation

    Parant, Paul

    2016-01-01

    One option envisioned for the future management of high level nuclear waste is the transmutation of minor actinides into short-lived fission products in sodium fast reactor. This route requires the development of pellet fabrication processes to prepare Minor Actinide Bearing Blanket (MABB) for the transmutation of americium. Currently, those ceramic pellets are produced by powder metallurgy processes involving numerous grinding and milling steps that generate very fine and highly contaminating and irradiating particles. a viable option for reducing the amount of those fine particles would be to develop a dustless process by working on much coarser particles. In this context, this study is concerned with the pelletizing of porous and spherical lanthanides oxide precursors (surrogates of actinides). The present work uses both experimental data and numerical simulations to optimize the pelletizing step. The final aim is to obtain, after sintering, homogeneous, dense and undistorted ceramic pellets. Firstly, this study concerns the synthesis and characterization of these oxide microspheres precursors by the Weak acid Resin process, which consists in loading beads of ion exchange resin with lanthanides cations and mineralizing the metal loaded resin leads into sub-millimetric-sized oxide microspheres. Comprehensive characterizations of the microstructure were carried out in function of the synthesis parameters such as calcination temperature, metal nature and diameter size /distribution of the resin beads starting materials to better understand their behaviour into the matrix when producing pellets. Secondly, the mechanical properties of a single microsphere were investigated in order to better understand its behaviour during compaction steps. They were also analysed using multi-scale simulations based on the Discrete Element Method (DEM), which is well suited for such particulate materials. In a second approach, compaction studies were carried out in a three parts die

  19. Reacting flow simulations of supercritical water oxidation of PCB-contaminated transformer oil in a pilot plant reactor

    V. Marulanda

    2011-06-01

    Full Text Available The scale-up of a supercritical water oxidation process, based on recent advancements in kinetic aspects, reactor configuration and optimal operational conditions, depends on the research and development of simulation tools, which allow the designer not only to understand the complex multiphysics phenomena that describe the system, but also to optimize the operational parameters to attain the best profit for the process and guarantee its safe operation. Accordingly, this paper reports a multiphysics simulation with the CFD software Comsol Multiphysics 3.3 of a pilot plant reactor for the supercritical water oxidation of a heavily PCB-contaminated mineral transformer oil. The proposed model was based on available information for the kinetic aspects of the complex mixture and the optimal operational conditions obtained in a lab-scale continuous supercritical water oxidation unit. The pilot plant simulation results indicate that it is not feasible to scale-up directly the optimal operational conditions obtained in the isothermal lab-scale experiments, due to the excess heat released by the exothermic oxidation reactions that result in outlet temperatures higher than 600°C, even at reactor inlet temperatures as low as 400°C. Consequently, different alternatives such as decreasing organic flowrates or a new reactor set-up with multiple oxidant injections should be considered to guarantee a safe operation.

  20. Conceptual Design for the Pilot-Scale Plutonium Oxide Processing Unit in the Radiochemical Processing Laboratory

    Lumetta, Gregg J.; Meier, David E.; Tingey, Joel M.; Casella, Amanda J.; Delegard, Calvin H.; Edwards, Matthew K.; Jones, Susan A.; Rapko, Brian M.

    2014-08-05

    This report describes a conceptual design for a pilot-scale capability to produce plutonium oxide for use as exercise and reference materials, and for use in identifying and validating nuclear forensics signatures associated with plutonium production. This capability is referred to as the Pilot-scale Plutonium oxide Processing Unit (P3U), and it will be located in the Radiochemical Processing Laboratory at the Pacific Northwest National Laboratory. The key unit operations are described, including plutonium dioxide (PuO2) dissolution, purification of the Pu by ion exchange, precipitation, and conversion to oxide by calcination.

  1. Anodic oxidation with doped diamond electrodes: a new advanced oxidation process

    Kraft, Alexander; Stadelmann, Manuela; Blaschke, Manfred

    2003-01-01

    Boron-doped diamond anodes allow to directly produce OH· radicals from water electrolysis with very high current efficiencies. This has been explained by the very high overvoltage for oxygen production and many other anodic electrode processes on diamond anodes. Additionally, the boron-doped diamond electrodes exhibit a high mechanical and chemical stability. Anodic oxidation with diamond anodes is a new advanced oxidation process (AOP) with many advantages compared to other known chemical and photochemical AOPs. The present work reports on the use of diamond anodes for the chemical oxygen demand (COD) removal from several industrial wastewaters and from two synthetic wastewaters with malic acid and ethylenediaminetetraacetic (EDTA) acid. Current efficiencies for the COD removal between 85 and 100% have been found. The formation and subsequent removal of by-products of the COD oxidation has been investigated for the first time. Economical considerations of this new AOP are included

  2. Catalytic/non-catalytic combination process for nitrogen oxides reduction

    Luftglass, B.K.; Sun, W.H.; Hofmann, J.E.

    1992-01-01

    This patent describes a process for the reduction of nitrogen oxides in the effluent from the combustion of a carbonaceous fuel. It comprises introducing a nitrogenous treatment agent comprising urea, one or more of the hydrolysis products of urea, ammonia, compounds which produce ammonia as a by-product, ammonium salts of organic acids, 5- or 6-membered heterocyclic hydrocarbons having at least one cyclic nitrogen, hydroxy amino hydrocarbons, or mixtures thereof into the effluent at an effluent temperature between about 1200 degrees F and about 2100 degrees F; and contacting the treated effluent under conditions effective to reduce the nitrogen oxides in the effluent with a catalyst effective for the reduction of nitrogen oxides in the presence of ammonia

  3. Sustained qualification process for full scope nuclear power plant simulators

    Pirson, J.; Stubbe, E.; Vanhoenacker, L.

    1994-01-01

    In the past decade, simulator training for all nuclear power plant operators has evolved into a vital requirement. To assure a correct training, the simulator qualification process is an important issue not only for the initial validation but also following major simulator updates, which are necessary during the lifetime of the simulator. In order to avoid degradation of the simulator validated software, the modifications have to be introduced according to a rigorous methodology and a practical requalification process has to be applied. Such methodology has to be enforced at every phase of the simulator construction or updating process from plant data package constitution, over simulator software development to simulator response qualification. The initial qualification and requalification process is based on the 3 levels identified by the ANSI/ANS 3-5 standard for steady-state, operational transients and accident conditions. For the initial certification of the full scope simulators in Belgium, a practical qualification methodology has been applied, which has been adapted into a set of non regression tests for the requalification after major simulator updates. (orig.) (4 refs., 3 figs.)

  4. Development studies for a novel wet oxidation process

    Dhooge, P.M.; Hakim, L.B.

    1994-01-01

    A catalytic wet oxidation process (DETOX), which uses an acidic iron solution to oxidize organic compounds to carbon dioxide, water, and other simple products, was investigated as a potential method for the treatment of multicomponent hazardous and mixed wastes. The organic compounds picric acid, poly(vinyl chloride), tetrachlorothiophene, pentachloropyridine, Aroclor 1260 (a polychlorinated biphenyl), and hexachlorobenzene were oxidized in 125 ml reaction vessels. The metals arsenic, barium, beryllium, cadmium, cerium (as a surrogate for plutonium), chromium, lead, mercury, neodymium (as a surrogate for uranium), nickel, and vanadium were tested in the DETOX solution. Barium, beryllium, cerium, chromium, mercury, neodymium, nickel, and vanadium were all found to be very soluble (>100 g/l) in the DETOX chloride-based solution. Arsenic, barium, cadmium, and lead solubilities were lower. Lead could be selectively precipitated from the DETOX solution. Chromium(VI) was reduced to relatively non-toxic chromium(III) by the solution. Six soils were contaminated with arsenic, barium, beryllium, chromium, lead, and neodymium oxides at approximately 0.1% by weight, and benzene, trichloroethene, mineral oil, and Aroclor 1260 at approximately 5% by weight total, and 5.g amounts treated with the DETOX solution in unstirred 125. ml reaction bombs. It is felt that soil treatment in a properly designed system is entirely possible despite incomplete oxidation of the less volatile organic materials in these unstirred tests

  5. Arabidopsis Growth Simulation Using Image Processing Technology

    Junmei Zhang

    2014-01-01

    Full Text Available This paper aims to provide a method to represent the virtual Arabidopsis plant at each growth stage. It includes simulating the shape and providing growth parameters. The shape is described with elliptic Fourier descriptors. First, the plant is segmented from the background with the chromatic coordinates. With the segmentation result, the outer boundary series are obtained by using boundary tracking algorithm. The elliptic Fourier analysis is then carried out to extract the coefficients of the contour. The coefficients require less storage than the original contour points and can be used to simulate the shape of the plant. The growth parameters include total area and the number of leaves of the plant. The total area is obtained with the number of the plant pixels and the image calibration result. The number of leaves is derived by detecting the apex of each leaf. It is achieved by using wavelet transform to identify the local maximum of the distance signal between the contour points and the region centroid. Experiment result shows that this method can record the growth stage of Arabidopsis plant with fewer data and provide a visual platform for plant growth research.

  6. Electromagnetic heating processes: analysis and simulations

    Calay, Rajnish Kaur

    1994-01-01

    Electromagnetic heating (EMH) processes are being increasingly used in the industrial and domestic sectors, yet they receive relatively little attention in the thermal engineering domain. Time-temperature characteristics in EMH are qualitatively different from those in conventional heating techniques due to the additional parameters (viz dielectric properties of the material, size and shape of the product and process frequency). From a unified theory perspective, a multi-...

  7. Simulation-based optimization for product and process design

    Driessen, L.

    2006-01-01

    The design of products and processes has gradually shifted from a purely physical process towards a process that heavily relies on computer simulations (virtual prototyping). To optimize this virtual design process in terms of speed and final product quality, statistical methods and mathematical

  8. Lewis acid catalysis and Green oxidations: sequential tandem oxidation processes induced by Mn-hyperaccumulating plants.

    Escande, Vincent; Renard, Brice-Loïc; Grison, Claude

    2015-04-01

    Among the phytotechnologies used for the reclamation of degraded mining sites, phytoextraction aims to diminish the concentration of polluting elements in contaminated soils. However, the biomass resulting from the phytoextraction processes (highly enriched in polluting elements) is too often considered as a problematic waste. The manganese-enriched biomass derived from native Mn-hyperaccumulating plants of New Caledonia was presented here as a valuable source of metallic elements of high interest in chemical catalysis. The preparation of the catalyst Eco-Mn1 and reagent Eco-Mn2 derived from Grevillea exul exul and Grevillea exul rubiginosa was investigated. Their unusual polymetallic compositions allowed to explore new reactivity of low oxidative state of manganese-Mn(II) for Eco-Mn1 and Mn(IV) for Eco-Mn2. Eco-Mn1 was used as a Lewis acid to catalyze the acetalization/elimination of aldehydes into enol ethers with high yields; a new green and stereoselective synthesis of (-)-isopulegol via the carbonyl-ene cyclization of (+)-citronellal was also performed with Eco-Mn1. Eco-Mn2 was used as a mild oxidative reagent and controlled the oxidation of aliphatic alcohols into aldehydes with quantitative yields. Oxidative cleavage was interestingly noticed when Eco-Mn2 was used in the presence of a polyol. Eco-Mn2 allowed direct oxidative iodination of ketones without using iodine, which is strongly discouraged by new environmental legislations. Finally, the combination of the properties in the Eco-Mn catalysts and reagents gave them an unprecedented potential to perform sequential tandem oxidation processes through new green syntheses of p-cymene from (-)-isopulegol and (+)-citronellal; and a new green synthesis of functionalized pyridines by in situ oxidation of 1,4-dihydropyridines.

  9. Solution processed metal oxide thin film hole transport layers for high performance organic solar cells

    Steirer, K. Xerxes; Berry, Joseph J.; Chesin, Jordan P.; Lloyd, Matthew T.; Widjonarko, Nicodemus Edwin; Miedaner, Alexander; Curtis, Calvin J.; Ginley, David S.; Olson, Dana C.

    2017-01-10

    A method for the application of solution processed metal oxide hole transport layers in organic photovoltaic devices and related organic electronics devices is disclosed. The metal oxide may be derived from a metal-organic precursor enabling solution processing of an amorphous, p-type metal oxide. An organic photovoltaic device having solution processed, metal oxide, thin-film hole transport layer.

  10. Uranium hexaflouride freezer/sublimer process simulator/trainer

    Carnal, C.L.; Belcher, J.D.; Tapp, P.A.; Ruppel, F.R.; Wells, J.C.

    1991-01-01

    This paper describes a software and hardware simulation of a freezer/sublimer unit used in gaseous diffusion processing of uranium hexafluoride (UF 6 ). The objective of the project was to build a plant simulator that reads control signals and produces plant signals to mimic the behavior of an actual plant. The model is based on physical principles and process data. Advanced Continuous Simulation Language (ACSL) was used to develop the model. Once the simulation was validated with actual plant process data, the ACSL model was translated into Advanced Communication and Control Oriented Language (ACCOL). A Bristol Babcock Distributed Process Controller (DPC) Model 3330 was the hardware platform used to host the ACCOL model and process the real world signals. The DPC will be used as a surrogate plant to debug control system hardware/software and to train operators to use the new distributed control system without disturbing the process. 2 refs., 4 figs

  11. Simulation of nitrous oxide and nitric oxide emissions from tropical primary forests in the Costa Rican Atlantic Zone

    Shuguanga Liu; William A. Reiners; Michael Keller; Davis S. Schimel

    2000-01-01

    Nitrous oxide (N2O) and nitric oxide (NO) are important atmospheric trace gases participating in the regulation of global climate and environment. Predictive models on the emissions of N2O and NO emissions from soil into the atmosphere are required. We modified the CENTURY model (Soil Sci. Soc. Am. J., 51 (1987) 1173) to simulate the emissions of N2O and NO from...

  12. Study of the pelletizing process zirconium oxide and zircon sand

    Seo, E.S.M.; Paschoal, J.O.A.; Acevedo, M.T.P.

    1990-12-01

    The study of the process to obtain zirconium tetrachloride under development at IPEN, can be divide into two steps: pelletizing and chlorination. Pelletizing is an important step in the overall process as it facilitates greater contact between the particles and permits the production of pellets with dimensional uniformity and mechanical strength. In this paper, the results of the study of pelletizing zirconium oxide and zircon sand are presented. The influence of some variables related to the process and the equipment on the physical characteristics of the pellets are discussed. (author)

  13. Catalytic Oxidation of Mustard Simulants in Basic Solution

    Richardson, David

    2002-01-01

    .... Variation of bicarbonate source and the cosolvent can allow optimization of substrate solubility and oxidation rates for applications in chemical warfare agent decontamination, Use of surfactants...

  14. An application of object-oriented programming to process simulation

    Robinson, J.T.; Otaduy, P.J.

    1988-01-01

    This paper discusses the application of object-oriented programming to dynamic simulation of continuous processes. Processes may be modeled using this technique as a collection of objects which communicate with each other via message passing. Arriving messages invoke methods that describe the state and/or dynamic behavior of the receiving object. The objects fall into four broad categories actual plant components such as pumps, pipes, and tanks, abstract objects such as heat sources and conductors, plant systems such as flow loops, and simulation control and interface objects. This technique differs from traditional approaches to process simulation, in which the process is represented by either a system of differential equations or a block diagram of mathematical operators. The use of objects minimizes the representational gap between the model and actual process. From the users point of view, construction of a simulation model becomes equivalent to drawing a plant schematic. As an example application, a package developed for the simulation of nuclear power plants is described. The package allows users to build simulation models by selecting iconic representations of plant components from a menu and connecting them with a mouse. Objects for generating a mathematical model of the system and for controlling the simulation are automatically generated, freeing the user to concentrate on describing his process. This example illustrates the use of object-oriented programming to create a highly interactive and automated simulation environment. 2 figs

  15. A Software Development Simulation Model of a Spiral Process

    Mizell, Carolyn; Malone, Linda

    2007-01-01

    There is a need for simulation models of software development processes other than the waterfall because processes such as spiral development are becoming more and more popular. The use of a spiral process can make the inherently difficult job of cost and schedule estimation even more challenging due to its evolutionary nature, but this allows for a more flexible process that can better meet customers' needs. This paper will present a discrete event simulation model of spiral development that can be used to analyze cost and schedule effects of using such a process in comparison to a waterfall process.

  16. Laboratory simulations of lunar darkening processes

    Hapke, B.

    1993-01-01

    It was clear long before the Apollo missions that a darkening process occurs on the moon. However, its nature remains controversial and elusive. Current evidence implies that the darkening is associated with, and is probably caused by, submicroscopic metallic iron in the regolith. Questions discussed at the workshop include: (1) under what conditions will impact vitrification produce a dark glass; (2) what is the role of the submicroscopic metallic Fe (SMFe) in the lunar darkening process; (3) how is the SMFe produced; (4) is there a significant component of the regolith that has been deposited from a vapor, if so, what form is it in, and how can it be recognized, what are its effects on the chemistry of the regolith; (5) how do the processes of impact vitrification, vaporization, sputtering, and SMFe production vary as a function of distance from the sun and location in planetary magnetospheres; and (6) what other processes might affect optical properties. Ices have lower melting and boiling temperatures and sputtering yields several orders of magnitude larger than silicates. Hence, analogous processes will occur to an even greater extent on satellites of the outer planets, and these questions are relevant to those bodies as well.

  17. SHIPBUILDING PRODUCTION PROCESS DESIGN METHODOLOGY USING COMPUTER SIMULATION

    Marko Hadjina; Nikša Fafandjel; Tin Matulja

    2015-01-01

    In this research a shipbuilding production process design methodology, using computer simulation, is suggested. It is expected from suggested methodology to give better and more efficient tool for complex shipbuilding production processes design procedure. Within the first part of this research existing practice for production process design in shipbuilding was discussed, its shortcomings and problem were emphasized. In continuing, discrete event simulation modelling method, as basis of sugge...

  18. Process model simulations of the divergence effect

    Anchukaitis, K. J.; Evans, M. N.; D'Arrigo, R. D.; Smerdon, J. E.; Hughes, M. K.; Kaplan, A.; Vaganov, E. A.

    2007-12-01

    We explore the extent to which the Vaganov-Shashkin (VS) model of conifer tree-ring formation can explain evidence for changing relationships between climate and tree growth over recent decades. The VS model is driven by daily environmental forcing (temperature, soil moisture, and solar radiation), and simulates tree-ring growth cell-by-cell as a function of the most limiting environmental control. This simplified representation of tree physiology allows us to examine using a selection of case studies whether instances of divergence may be explained in terms of changes in limiting environmental dependencies or transient climate change. Identification of model-data differences permits further exploration of the effects of tree-ring standardization, atmospheric composition, and additional non-climatic factors.

  19. Biomedical Simulation Models of Human Auditory Processes

    Bicak, Mehmet M. A.

    2012-01-01

    Detailed acoustic engineering models that explore noise propagation mechanisms associated with noise attenuation and transmission paths created when using hearing protectors such as earplugs and headsets in high noise environments. Biomedical finite element (FE) models are developed based on volume Computed Tomography scan data which provides explicit external ear, ear canal, middle ear ossicular bones and cochlea geometry. Results from these studies have enabled a greater understanding of hearing protector to flesh dynamics as well as prioritizing noise propagation mechanisms. Prioritization of noise mechanisms can form an essential framework for exploration of new design principles and methods in both earplug and earcup applications. These models are currently being used in development of a novel hearing protection evaluation system that can provide experimentally correlated psychoacoustic noise attenuation. Moreover, these FE models can be used to simulate the effects of blast related impulse noise on human auditory mechanisms and brain tissue.

  20. Feasibility of electrochemical oxidation process for treatment of saline wastewater

    Kavoos Dindarloo

    2015-09-01

    Full Text Available Background: High concentration of salt makes biological treatment impossible due to bacterial plasmolysis. The present research studies the process of electrochemical oxidation efficiency and optimal levels as important factors affecting pH, salt concentration, reaction time and applied voltage. Methods: The sample included graphite electrodes with specifications of 2.5 cm diameter and 15 cm height using a reactor with an optimum capacity of 1 L. Sixty samples were obtained with the aid of the experiments carried out in triplicates for each factor at 5 different levels. The entire experiments were performed based on standard methods for water and waste water treatments. Results: Analysis of variance carried out on effect of pH, salt concentration, reaction time and flow intensity in elimination of chemical oxygen demand (COD showed that they are significant factors affecting this process and reduce COD with a coefficient interval of 95% and test power of 80%. Scheffe test showed that at optimal level, a reaction time of 1 hour, 10 g/L concentration, pH = 9 and 15 V electrical potential difference were obtained. Conclusion: Waste waters containing salt may contribute to the electro-oxidation process due to its cations and anions. Therefore, the process of electrochemical oxidation with graphite electrodes could be a proper strategy for the treatment of saline wastewater where biological treatment is not possible.

  1. Numerical simulation of distributed parameter processes

    Colosi, Tiberiu; Unguresan, Mihaela-Ligia; Muresan, Vlad

    2013-01-01

    The present monograph defines, interprets and uses the matrix of partial derivatives of the state vector with applications for the study of some common categories of engineering. The book covers broad categories of processes that are formed by systems of partial derivative equations (PDEs), including systems of ordinary differential equations (ODEs). The work includes numerous applications specific to Systems Theory based on Mpdx, such as parallel, serial as well as feed-back connections for the processes defined by PDEs. For similar, more complex processes based on Mpdx with PDEs and ODEs as components, we have developed control schemes with PID effects for the propagation phenomena, in continuous media (spaces) or discontinuous ones (chemistry, power system, thermo-energetic) or in electro-mechanics (railway – traction) and so on. The monograph has a purely engineering focus and is intended for a target audience working in extremely diverse fields of application (propagation phenomena, diffusion, hydrodyn...

  2. Modeling and simulation of heterogeneous catalytic processes

    Dixon, Anthony

    2014-01-01

    Heterogeneous catalysis and mathematical modeling are essential components of the continuing search for better utilization of raw materials and energy, with reduced impact on the environment. Numerical modeling of chemical systems has progressed rapidly due to increases in computer power, and is used extensively for analysis, design and development of catalytic reactors and processes. This book presents reviews of the state-of-the-art in modeling of heterogeneous catalytic reactors and processes. Reviews by leading authorities in the respective areas Up-to-date reviews of latest techniques in modeling of catalytic processes Mix of US and European authors, as well as academic/industrial/research institute perspectives Connections between computation and experimental methods in some of the chapters.

  3. Catalytic and electrochemical behaviour of solid oxide fuel cell operated with simulated-biogas mixtures

    Dang-Long, T.; Quang-Tuyen, T.; Shiratori, Y.

    2016-06-01

    Being produced from organic matters of wastes (bio-wastes) through a fermentation process, biogas mainly composed of CH4 and CO2 and can be considered as a secondary energy carrier derived from solar energy. To generate electricity from biogas through the electrochemical process in fuel cells is a state-of-the-art technology possessing higher energy conversion efficiency without harmful emissions compared to combustion process in heat engines. Getting benefits from high operating temperature such as direct internal reforming ability and activation of electrochemical reactions to increase overall system efficiency, solid oxide fuel cell (SOFC) system operated with biogas becomes a promising candidate for distributed power generator for rural applications leading to reductions of environmental issues caused by greenhouse effects and bio-wastes. CO2 reforming of CH4 and electrochemical oxidation of the produced syngas (H2-CO mixture) are two main reaction processes within porous anode material of SOFC. Here catalytic and electrochemical behavior of Ni-ScSZ (scandia stabilized-zirconia) anode in the feed of CH4-CO2 mixtures as simulated-biogas at 800 °C were evaluated. The results showed that CO2 had strong influences on both reaction processes. The increase in CO2 partial pressure resulted in the decrease in anode overvoltage, although open-circuit voltage was dropped. Besides that, the simulation result based on a power-law model for equimolar CH4-CO2 mixture revealed that coking hazard could be suppressed along the fuel flow channel in both open-circuit and closed-circuit conditions.

  4. Catalytic and electrochemical behaviour of solid oxide fuel cell operated with simulated-biogas mixtures

    Dang-Long, T., E-mail: 3TE14098G@kyushu-u.ac.jp [Department of Hydrogen Energy Systems, Faculty of Engineering, Kyushu University Motooka 744, Nishiku, Fukuoka, 810-0395 (Japan); Quang-Tuyen, T., E-mail: tran.tuyen.quang.314@m.kyushu-u.ac.jp [International Research Center for Hydrogen Energy, Kyushu University Motooka 744, Nishiku, Fukuoka, 810-0395 (Japan); Shiratori, Y., E-mail: shiratori.yusuke.500@m.kyushu-u.ac.jp [Department of Hydrogen Energy Systems, Faculty of Engineering, Kyushu University Motooka 744, Nishiku, Fukuoka, 810-0395 (Japan); International Research Center for Hydrogen Energy, Kyushu University Motooka 744, Nishiku, Fukuoka, 810-0395 (Japan)

    2016-06-03

    Being produced from organic matters of wastes (bio-wastes) through a fermentation process, biogas mainly composed of CH{sub 4} and CO{sub 2} and can be considered as a secondary energy carrier derived from solar energy. To generate electricity from biogas through the electrochemical process in fuel cells is a state-of-the-art technology possessing higher energy conversion efficiency without harmful emissions compared to combustion process in heat engines. Getting benefits from high operating temperature such as direct internal reforming ability and activation of electrochemical reactions to increase overall system efficiency, solid oxide fuel cell (SOFC) system operated with biogas becomes a promising candidate for distributed power generator for rural applications leading to reductions of environmental issues caused by greenhouse effects and bio-wastes. CO{sub 2} reforming of CH{sub 4} and electrochemical oxidation of the produced syngas (H{sub 2}–CO mixture) are two main reaction processes within porous anode material of SOFC. Here catalytic and electrochemical behavior of Ni-ScSZ (scandia stabilized-zirconia) anode in the feed of CH{sub 4}–CO{sub 2} mixtures as simulated-biogas at 800 °C were evaluated. The results showed that CO{sub 2} had strong influences on both reaction processes. The increase in CO{sub 2} partial pressure resulted in the decrease in anode overvoltage, although open-circuit voltage was dropped. Besides that, the simulation result based on a power-law model for equimolar CH{sub 4}−CO{sub 2} mixture revealed that coking hazard could be suppressed along the fuel flow channel in both open-circuit and closed-circuit conditions.

  5. Production Logistics Simulation Supported by Process Description Languages

    Bohács Gábor

    2016-03-01

    Full Text Available The process description languages are used in the business may be useful in the optimization of logistics processes too. The process description languages would be the obvious solution for process control, to handle the main sources of faults and to give a correct list of what to do during the logistics process. Related to this, firstly, the paper presents the main features of the frequent process description languages. The following section describes the currently most used process modelling languages, in the areas of production and construction logistics. In addition, the paper gives some examples of logistics simulation, as another very important field of logistics system modelling. The main edification of the paper, the logistics simulation supported by process description languages. The paper gives a comparison of a Petri net formal representation and a Simul8 model, through a construction logistics model, as the major contribution of the research.

  6. The Simulation and Analysis of the Closed Die Hot Forging Process by A Computer Simulation Method

    Dipakkumar Gohil

    2012-06-01

    Full Text Available The objective of this research work is to study the variation of various parameters such as stress, strain, temperature, force, etc. during the closed die hot forging process. A computer simulation modeling approach has been adopted to transform the theoretical aspects in to a computer algorithm which would be used to simulate and analyze the closed die hot forging process. For the purpose of process study, the entire deformation process has been divided in to finite number of steps appropriately and then the output values have been computed at each deformation step. The results of simulation have been graphically represented and suitable corrective measures are also recommended, if the simulation results do not agree with the theoretical values. This computer simulation approach would significantly improve the productivity and reduce the energy consumption of the overall process for the components which are manufactured by the closed die forging process and contribute towards the efforts in reducing the global warming.

  7. Launch Site Computer Simulation and its Application to Processes

    Sham, Michael D.

    1995-01-01

    This paper provides an overview of computer simulation, the Lockheed developed STS Processing Model, and the application of computer simulation to a wide range of processes. The STS Processing Model is an icon driven model that uses commercial off the shelf software and a Macintosh personal computer. While it usually takes one year to process and launch 8 space shuttles, with the STS Processing Model this process is computer simulated in about 5 minutes. Facilities, orbiters, or ground support equipment can be added or deleted and the impact on launch rate, facility utilization, or other factors measured as desired. This same computer simulation technology can be used to simulate manufacturing, engineering, commercial, or business processes. The technology does not require an 'army' of software engineers to develop and operate, but instead can be used by the layman with only a minimal amount of training. Instead of making changes to a process and realizing the results after the fact, with computer simulation, changes can be made and processes perfected before they are implemented.

  8. Virtual milk for modelling and simulation of dairy processes.

    Munir, M T; Zhang, Y; Yu, W; Wilson, D I; Young, B R

    2016-05-01

    The modeling of dairy processing using a generic process simulator suffers from shortcomings, given that many simulators do not contain milk components in their component libraries. Recently, pseudo-milk components for a commercial process simulator were proposed for simulation and the current work extends this pseudo-milk concept by studying the effect of both total milk solids and temperature on key physical properties such as thermal conductivity, density, viscosity, and heat capacity. This paper also uses expanded fluid and power law models to predict milk viscosity over the temperature range from 4 to 75°C and develops a succinct regressed model for heat capacity as a function of temperature and fat composition. The pseudo-milk was validated by comparing the simulated and actual values of the physical properties of milk. The milk thermal conductivity, density, viscosity, and heat capacity showed differences of less than 2, 4, 3, and 1.5%, respectively, between the simulated results and actual values. This work extends the capabilities of the previously proposed pseudo-milk and of a process simulator to model dairy processes, processing different types of milk (e.g., whole milk, skim milk, and concentrated milk) with different intrinsic compositions, and to predict correct material and energy balances for dairy processes. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  9. Simulation and Optimization of Foam EOR Processes

    Namdar Zanganeh, M.

    2011-01-01

    Chemical enhanced oil recovery (EOR) is relatively expensive due to the high cost of the injected chemicals such as surfactants. Excessive use of these chemicals leads to processes that are not economically feasible. Therefore, optimizing the volume of these injected chemicals is of extreme

  10. Process for growing a film epitaxially upon an oxide surface and structures formed with the process

    McKee, Rodney A.; Walker, Frederick J.

    1995-01-01

    A process and structure wherein a film comprised of a perovskite or a spinel is built epitaxially upon a surface, such as an alkaline earth oxide surface, involves the epitaxial build up of alternating constituent metal oxide planes of the perovskite or spinel. The first layer of metal oxide built upon the surface includes a metal element which provides a small cation in the crystalline structure of the perovskite or spinel, and the second layer of metal oxide built upon the surface includes a metal element which provides a large cation in the crystalline structure of the perovskite or spinel. The layering sequence involved in the film build up reduces problems which would otherwise result from the interfacial electrostatics at the first atomic layers, and these oxides can be stabilized as commensurate thin films at a unit cell thickness or grown with high crystal quality to thicknesses of 0.5-0.7 .mu.m for optical device applications.

  11. When teams shift among processes: insights from simulation and optimization.

    Kennedy, Deanna M; McComb, Sara A

    2014-09-01

    This article introduces process shifts to study the temporal interplay among transition and action processes espoused in the recurring phase model proposed by Marks, Mathieu, and Zacarro (2001). Process shifts are those points in time when teams complete a focal process and change to another process. By using team communication patterns to measure process shifts, this research explores (a) when teams shift among different transition processes and initiate action processes and (b) the potential of different interventions, such as communication directives, to manipulate process shift timing and order and, ultimately, team performance. Virtual experiments are employed to compare data from observed laboratory teams not receiving interventions, simulated teams receiving interventions, and optimal simulated teams generated using genetic algorithm procedures. Our results offer insights about the potential for different interventions to affect team performance. Moreover, certain interventions may promote discussions about key issues (e.g., tactical strategies) and facilitate shifting among transition processes in a manner that emulates optimal simulated teams' communication patterns. Thus, we contribute to theory regarding team processes in 2 important ways. First, we present process shifts as a way to explore the timing of when teams shift from transition to action processes. Second, we use virtual experimentation to identify those interventions with the greatest potential to affect performance by changing when teams shift among processes. Additionally, we employ computational methods including neural networks, simulation, and optimization, thereby demonstrating their applicability in conducting team research. PsycINFO Database Record (c) 2014 APA, all rights reserved.

  12. Analysis of Chlorogenic Acid Oxidation Pathway in Simulated ...

    Purpose: To investigate the pathways involved in the oxidation of chlorogenic acid (CA) and phenol metabolism in honeysuckle buds. Methods: A model that mimics CA oxidation by honeysuckle polyphenol oxidase (PPO) by controlling the reaction temperature or reaction duration was employed, and the resulting products ...

  13. Analysis of Chlorogenic Acid Oxidation Pathway in Simulated ...

    Keywords: Honeysuckle, Chlorogenic acid, Enzymatic browning, Mimic system, Oxidation pathway, ... enzymatic oxidation of CA is the major cause of ..... to the concentration of catechol, o-quinone and current at PPO-modified microcylinder biosensor for diffusion- kinetic model. J Electroanal Chem 2011; 660: 200-208.

  14. Computer simulation of dynamic processes on accelerators

    Kol'ga, V.V.

    1979-01-01

    The problems of computer numerical investigation of motion of accelerated particles in accelerators and storages, an effect of different accelerator systems on the motion, determination of optimal characteristics of accelerated charged particle beams are considered. Various simulation representations are discussed which describe the accelerated particle dynamics, such as the enlarged particle method, the representation where a great number of discrete particle is substituted for a field of continuously distributed space charge, the method based on determination of averaged beam characteristics. The procedure is described of numerical studies involving the basic problems, viz. calculation of closed orbits, establishment of stability regions, investigation of resonance propagation determination of the phase stability region, evaluation of the space charge effect the problem of beam extraction. It is shown that most of such problems are reduced to solution of the Cauchy problem using a computer. The ballistic method which is applied to solution of the boundary value problem of beam extraction is considered. It is shown that introduction into the equation under study of additional members with the small positive regularization parameter is a general idea of the methods for regularization of noncorrect problems [ru

  15. Laser microstructuring and annealing processes for lithium manganese oxide cathodes

    Proell, J.; Kohler, R.; Torge, M.; Ulrich, S.; Ziebert, C.; Bruns, M.; Seifert, H.J.; Pfleging, W.

    2011-01-01

    It is expected that cathodes for lithium-ion batteries (LIB) composed out of nano-composite materials lead to an increase in power density of the LIB due to large electrochemically active surface areas but cathodes made of lithium manganese oxides (Li-Mn-O) suffer from structural instabilities due to their sensitivity to the average manganese oxidation state. Therefore, thin films in the Li-Mn-O system were synthesized by non-reactive radiofrequency magnetron sputtering of a spinel lithium manganese oxide target. For the enhancement of the power density and cycle stability, large area direct laser patterning using UV-laser radiation with a wavelength of 248 nm was performed. Subsequent laser annealing processes were investigated in a second step in order to set up a spinel-like phase using 940 nm laser radiation at a temperature of 680 deg. C. The interaction processes between UV-laser radiation and the material was investigated using laser ablation inductively coupled plasma mass spectroscopy. The changes in phase, structure and grain shape of the thin films due to the annealing process were recorded using Raman spectroscopy, X-ray diffraction and scanning electron microscopy. The structured cathodes were cycled using standard electrolyte and a metallic lithium anode. Different surface structures were investigated and a significant increase in cycling stability was found. Surface chemistry of an as-deposited as well as an electrochemically cycled thin film was investigated via X-ray photoelectron spectroscopy.

  16. Simulation of atmospheric oxidation capacity in Houston, Texas

    Air quality model simulations are performed and evaluated for Houston using the Community Multiscale Air Quality (CMAQ) model. The simulations use two different emissions estimates: the EPA 2005 National Emissions Inventory (NEI) and the Texas Commission on Environmental Quality ...

  17. Best practice strategies for validation of micro moulding process simulation

    Costa, Franco; Tosello, Guido; Whiteside, Ben

    2009-01-01

    are the optimization of the moulding process and of the tool using simulation techniques. Therefore, in polymer micro manufacturing technology, software simulation tools adapted from conventional injection moulding can provide useful assistance for the optimization of moulding tools, mould inserts, micro component...... are discussed. Recommendations regarding sampling rate, meshing quality, filling analysis methods (micro short shots, flow visualization) and machine geometry modelling are given on the basis of the comparison between simulated and experimental results within the two considered study cases.......Simulation programs in polymer micro replication technology are used for the same reasons as in conventional injection moulding. To avoid the risks of costly re-engineering, the moulding process is simulated before starting the actual manufacturing process. Important economic factors...

  18. Simulation of mould filling process for composite skeleton castings

    M. Dziuba; M. Cholewa

    2008-01-01

    In this work authors showed selected results of simulation and experimental studies on temperature distribution during solidification of skeleton casting and mould filling process. The aim of conducted simulations was the choice of thermal and geometrical parameters for the needs of designed calculations of the skeleton castings and the estimation of the guidelines for the technology of manufacturing. The subject of numerical simulation was the analysis of ability of filling the channels of c...

  19. Engineering application of anaerobic ammonium oxidation process in wastewater treatment.

    Mao, Nianjia; Ren, Hongqiang; Geng, Jinju; Ding, Lili; Xu, Ke

    2017-08-01

    Anaerobic ammonium oxidation (Anammox), a promising biological nitrogen removal process, has been verified as an efficient, sustainable and cost-effective alternative to conventional nitrification and denitrification processes. To date, more than 110 full-scale anammox plants have been installed and are in operation, treating industrial NH 4 + -rich wastewater worldwide, and anammox-based technologies are flourishing. This review the current state of the art for engineering applications of the anammox process, including various anammox-based technologies, reactor selection and attempts to apply it at different wastewater plants. Process control and implementation for stable performance are discussed as well as some remaining issues concerning engineering application are exposed, including the start-up period, process disturbances, greenhouse gas emissions and especially mainstream anammox applications. Finally, further development of the anammox engineering application is proposed in this review.

  20. Flooding simulation of hilly pipeline commisionning process

    Nan, Zhang [China National Oil and Gas Exploration and Development Corporation and China University of Petroleum, Beijing (China); Jing, Gong [China University of Petroleum, Beijing (China); Baoli, Zhu [China National Oil and Gas Exploration and Development Corporation, Beijing (China); Lin, Zheng [CNPC Oil and Gas Control Center, Beijing (China)

    2010-07-01

    When the construction of a pipeline has been completed, the pipeline flooding is done as part of the pipeline commissioning process. This method consists of filling the empty pipe with water or oil. In a pipeline situated in hilly terrain, air entrapped in the fluid causes problems with the flooding process and it is necessary to discharge the accumulated air to address this issue. The aim of this paper is to provide a model for predicting the location and volume of air pockets in a pipeline. This model was developed based on the fundamentals of mass balance and momentum transfer in multiphase flow and was then applied to a pipeline in China and compared with the SCADA data. Results showed a good match between the model's predictions of hydraulic movement and the real data from SCADA. The two flow model developed can predict hydraulic movement during pipeline flooding in a hilly area and thus it can be used to predict water front location and air pocket movement in the pipe.

  1. Cost analysis of simulated base-catalyzed biodiesel production processes

    Tasić, Marija B.; Stamenković, Olivera S.; Veljković, Vlada B.

    2014-01-01

    Highlights: • Two semi-continuous biodiesel production processes from sunflower oil are simulated. • Simulations were based on the kinetics of base-catalyzed methanolysis reactions. • The total energy consumption was influenced by the kinetic model. • Heterogeneous base-catalyzed process is a preferable industrial technology. - Abstract: The simulation and economic feasibility evaluation of semi-continuous biodiesel production from sunflower oil were based on the kinetics of homogeneously (Process I) and heterogeneously (Process II) base-catalyzed methanolysis reactions. The annual plant’s capacity was determined to be 8356 tonnes of biodiesel. The total energy consumption was influenced by the unit model describing the methanolysis reaction kinetics. The energy consumption of the Process II was more than 2.5 times lower than that of the Process I. Also, the simulation showed the Process I had more and larger process equipment units, compared with the Process II. Based on lower total capital investment costs and biodiesel selling price, the Process II was economically more feasible than the Process I. Sensitivity analysis was conducted using variable sunflower oil and biodiesel prices. Using a biodiesel selling price of 0.990 $/kg, Processes I and II were shown to be economically profitable if the sunflower oil price was 0.525 $/kg and 0.696 $/kg, respectively

  2. Automated simulation and study of spatial-structural design processes

    Davila Delgado, J.M.; Hofmeyer, H.; Stouffs, R.; Sariyildiz, S.

    2013-01-01

    A so-called "Design Process Investigation toolbox" (DPI toolbox), has been developed. It is a set of computational tools that simulate spatial-structural design processes. Its objectives are to study spatial-structural design processes and to support the involved actors. Two case-studies are

  3. Simple simulation schemes for CIR and Wishart processes

    Pisani, Camilla

    2013-01-01

    We develop some simple simulation algorithms for CIR and Wishart processes. The main idea is the splitting of their generator into the sum of the square of an Ornstein-Uhlenbeck matrix process and a deterministic process. Joint work with Paolo Baldi, Tor Vergata University, Rome...

  4. Process for the reduction of nitrogen oxides in an effluent

    Epperly, W.R.; Sullivan, J.C.; Sprague, B.N.

    1989-07-04

    This patent describes a process for the reduction of the concentration of nitrogen oxides in the effluent from the combustion of a carbonaceous fuel. The process comprises introducing a treatment agent which comprises a composition selected from the group consisting of NH/sub 4/-lignosulfonate, calcium lignosulfonate, 2-furoic acid, 1,3 dioxolane, tetrahydrofuran, furfurylamine, furfurylalcohol, gluconic acid, citric acid, n-butyl acetate, 1,3 butylene glycol, methylal, tetrahydrofuryl alcohol, furan, fish oil, coumalic acid, furfuryl acetate, tetrahydrofuran 2,3,4,5-tetracarboxylic acid, tetrahydrofurylamine, furylacrylic acid, tetrahydropyran, 2,5-furandimethanol, mannitol, hexamethylenediamine, barbituric acid, acetic anhydride, oxalic acid, mucic acid and d-galactose.

  5. Organisational learning via Interactive Process Simulation in AGE

    Szirbik, N. B.; Roest, G. B.; Sklenar, J; Tanguy, A; Bertelle, C; Fortino, G

    2007-01-01

    In this paper, the concept of Interactive Process Simulation is introduced as a specialisation of Business Gaming. A specific gaming and agent development framework, based oil interactive simulation and a specific modelling langauge, is shortly presented. The concepts of the language are explained

  6. Analysis of Time Discretization and its Effect on Simulation Processes

    Gilbert-Rainer Gillich

    2006-10-01

    Full Text Available The paper presents the influence of time discretization on the results of simulations of technical systems. In this sense the systems are mod-eled using the SciLab/SCICOS environment, using different time inter-vals. Ulterior the processes are simulated and the results are com-pared.

  7. Development of industry processes simulators. Part III (Continuous casting)

    Ramirez, A.; Morales, R.; Morales, A. J.; Ramos, A.; Solorio, G.

    2006-01-01

    This work written for illustrating the use of Monte Carlo methods and generating of random number in combination with the information of the simulation system of thermal behaviour described previously in order to reproduce in a computer the solidification process of the steel and simulate the formation of strictures of casting step by step. (Author). 12 refs

  8. PSSGP : Program for Simulation of Stationary Gaussian Processes

    Sørensen, John Dalsgaard

    This report describes the computer program PSSGP. PSSGP can be used to simulate realizations of stationary Gaussian stochastic processes. The simulation algorithm can be coupled with some applications. One possibility is to use PSSGP to estimate the first-passage density function of a given system...

  9. Software quality and process improvement in scientific simulation codes

    Ambrosiano, J.; Webster, R. [Los Alamos National Lab., NM (United States)

    1997-11-01

    This report contains viewgraphs on the quest to develope better simulation code quality through process modeling and improvement. This study is based on the experience of the authors and interviews with ten subjects chosen from simulation code development teams at LANL. This study is descriptive rather than scientific.

  10. Characterization of interfacial reactions and oxide films on 316L stainless steel in various simulated PWR primary water environments

    Chen, Junjie; Xiao, Qian [Institute of Materials Science, School of Materials Science and Engineering, Shanghai University, Mailbox 269, 149 Yanchang Road, Shanghai, 200072 (China); State Key Laboratory of Advanced Special Steels, Shanghai University, 149 Yanchang Road, Shanghai, 200072 (China); Lu, Zhanpeng, E-mail: zplu@t.shu.edu.cn [Institute of Materials Science, School of Materials Science and Engineering, Shanghai University, Mailbox 269, 149 Yanchang Road, Shanghai, 200072 (China); State Key Laboratory of Advanced Special Steels, Shanghai University, 149 Yanchang Road, Shanghai, 200072 (China); Shanghai Key Laboratory of Advanced Ferrometallurgy, Shanghai University, 149 Yanchang Road, Shanghai, 200072 (China); Ru, Xiangkun; Peng, Hao; Xiong, Qi; Li, Hongjuan [Institute of Materials Science, School of Materials Science and Engineering, Shanghai University, Mailbox 269, 149 Yanchang Road, Shanghai, 200072 (China)

    2017-06-15

    The effect of water chemistry on the electrochemical and oxidizing behaviors of 316L SS was investigated in hydrogenated, deaerated and oxygenated PWR primary water at 310 °C. Water chemistry significantly influenced the electrochemical impedance spectroscopy parameters. The highest charge-transfer resistance and oxide-film resistance occurred in oxygenated water. The highest electric double-layer capacitance and constant phase element of the oxide film were in hydrogenated water. The oxide films formed in deaerated and hydrogenated environments were similar in composition but different in morphology. An oxide film with spinel outer particles and a compact and Cr-rich inner layer was formed in both hydrogenated and deaerated water. Larger and more loosely distributed outer oxide particles were formed in deaerated water. In oxygenated water, an oxide film with hematite outer particles and a porous and Ni-rich inner layer was formed. The reaction kinetics parameters obtained by electrochemical impedance spectroscopy measurements and oxidation film properties relating to the steady or quasi-steady state conditions in the time-period of measurements could provide fundamental information for understanding stress corrosion cracking processes and controlling parameters. - Highlights: •Long-term EIS measurements of 316L SS in simulated PWR primary water. •Highest charge-transfer resistance and oxide film resistance in oxygenated water. •Highest electric double-layer capacitance and oxide film CPE in hydrogenated water. •Similar compositions, different shapes of oxides in deaerated/hydrogenated water. •Inner layer Cr-rich in hydrogenated/deaerated water, Ni-rich in oxygenated water.

  11. Retrieval process development and enhancements waste simulant compositions and defensibility

    Powell, M.R.; Golcar, G.R.; Geeting, J.G.H.

    1997-09-01

    The purpose of this report is to document the physical waste simulant development efforts of the EM-50 Tanks Focus Area at the Hanford Site. Waste simulants are used in the testing and development of waste treatment and handling processes because performing such tests using actual tank waste is hazardous and prohibitively expensive. This document addresses the simulant development work that supports the testing of waste retrieval processes using simulants that mimic certain key physical properties of the tank waste. Development and testing of chemical simulants are described elsewhere. This work was funded through the EM-50 Tanks Focus Area as part of the Retrieval Process Development and Enhancements (RPD ampersand E) Project at the Pacific Northwest National Laboratory (PNNL). The mission of RPD ampersand E is to understand retrieval processes, including emerging and existing processes, gather performance data on those processes, and relate the data to specific tank problems to provide end users with the requisite technical bases to make retrieval and closure decisions. Physical simulants are prepared using relatively nonhazardous and inexpensive materials rather than the chemicals known to be in tank waste. Consequently, only some of the waste properties are matched by the simulant. Deciding which properties need to be matched and which do not requires a detailed knowledge of the physics of the process to be tested using the simulant. Developing this knowledge requires reviews of available literature, consultation with experts, and parametric tests. Once the relevant properties are identified, waste characterization data are reviewed to establish the target ranges for each property. Simulants are then developed that possess the desired ranges of properties

  12. CFD Modeling and Simulation in Materials Processing 2018

    Nastac, Laurentiu; Pericleous, Koulis; Sabau, Adrian S.; Zhang, Lifeng; Thomas, Brian G.

    2018-01-01

    This book contains the proceedings of the symposium “CFD Modeling and Simulation in Materials Processing” held at the TMS 2018 Annual Meeting & Exhibition in Phoenix, Arizona, USA, March 11–15, 2018. This symposium dealt with computational fluid dynamics (CFD) modeling and simulation of engineering processes. The papers published in this book were requested from researchers and engineers involved in the modeling of multiscale and multiphase phenomena in material processing systems. The sympos...

  13. Experimental investigation and thermodynamic simulation of the uranium oxide-zirconium oxide-iron oxide system in air

    Petrov, Y. B.; Udalov, Y. P.; Šubrt, Jan; Bakardjieva, Snejana; Sázavský, P.; Kiselová, M.; Selucký, P.; Bezdička, Petr; Joumeau, C.; Piluso, P.

    2011-01-01

    Roč. 37, č. 2 (2011), s. 212-229 ISSN 1087-6596 Institutional research plan: CEZ:AV0Z40320502 Keywords : uranium oxide * zirconium oxide * iron oxide * fusibility curve * oxygen partial pressure * crystallization * phase composition Subject RIV: CA - Inorganic Chemistry Impact factor: 0.492, year: 2011

  14. Challenges in simulation of chemical processes in combustion furnaces

    Hupa, M.; Kilpinen, P. [Aabo Akademi, Turku (Finland)

    1996-12-31

    The presentation gives an introduction to some of the present issues and problems in treating the complex chemical processes in combustion. The focus is in the coupling of the hydrocarbon combustion process with nitrogen oxide formation and destruction chemistry in practical furnaces or flames. Detailed kinetic modelling based on schemes of elementary reactions are shown to be a useful novel tool for identifying and studying the key reaction paths for nitrogen oxide formation and destruction in various systems. The great importance of the interaction between turbulent mixing and combustion chemistry is demonstrated by the sensitivity of both methane oxidation chemistry and fuel nitrogen conversion chemistry to the reactor and mixing pattern chosen for the kinetic calculations. The fluidized bed combustion (FBC) nitrogen chemistry involves several important heterogeneous reactions. Particularly the char in the bed plays an essential role. Recent research has advanced rapidly and the presentation proposes an overall picture of the fuel nitrogen reaction routes in circulating FBC conditions. (author)

  15. Challenges in simulation of chemical processes in combustion furnaces

    Hupa, M; Kilpinen, P [Aabo Akademi, Turku (Finland)

    1997-12-31

    The presentation gives an introduction to some of the present issues and problems in treating the complex chemical processes in combustion. The focus is in the coupling of the hydrocarbon combustion process with nitrogen oxide formation and destruction chemistry in practical furnaces or flames. Detailed kinetic modelling based on schemes of elementary reactions are shown to be a useful novel tool for identifying and studying the key reaction paths for nitrogen oxide formation and destruction in various systems. The great importance of the interaction between turbulent mixing and combustion chemistry is demonstrated by the sensitivity of both methane oxidation chemistry and fuel nitrogen conversion chemistry to the reactor and mixing pattern chosen for the kinetic calculations. The fluidized bed combustion (FBC) nitrogen chemistry involves several important heterogeneous reactions. Particularly the char in the bed plays an essential role. Recent research has advanced rapidly and the presentation proposes an overall picture of the fuel nitrogen reaction routes in circulating FBC conditions. (author)

  16. Theory, simulation and experimental results of the acoustic detection of magnetization changes in superparamagnetic iron oxide

    Borgert Jörn

    2011-06-01

    Full Text Available Abstract Background Magnetic Particle Imaging is a novel method for medical imaging. It can be used to measure the local concentration of a tracer material based on iron oxide nanoparticles. While the resulting images show the distribution of the tracer material in phantoms or anatomic structures of subjects under examination, no information about the tissue is being acquired. To expand Magnetic Particle Imaging into the detection of soft tissue properties, a new method is proposed, which detects acoustic emissions caused by magnetization changes in superparamagnetic iron oxide. Methods Starting from an introduction to the theory of acoustically detected Magnetic Particle Imaging, a comparison to magnetically detected Magnetic Particle Imaging is presented. Furthermore, an experimental setup for the detection of acoustic emissions is described, which consists of the necessary field generating components, i.e. coils and permanent magnets, as well as a calibrated microphone to perform the detection. Results The estimated detection limit of acoustic Magnetic Particle Imaging is comparable to the detection limit of magnetic resonance imaging for iron oxide nanoparticles, whereas both are inferior to the theoretical detection limit for magnetically detected Magnetic Particle Imaging. Sufficient data was acquired to perform a comparison to the simulated data. The experimental results are in agreement with the simulations. The remaining differences can be well explained. Conclusions It was possible to demonstrate the detection of acoustic emissions of magnetic tracer materials in Magnetic Particle Imaging. The processing of acoustic emission in addition to the tracer distribution acquired by magnetic detection might allow for the extraction of mechanical tissue parameters. Such parameters, like for example the velocity of sound and the attenuation caused by the tissue, might also be used to support and improve ultrasound imaging. However, the method

  17. Processing and Characterization of Sol-Gel Cerium Oxide Microspheres

    McClure, Zachary D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Padilla Cintron, Cristina [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2016-09-27

    Of interest to space exploration and power generation, Radioisotope Thermoelectric Generators (RTGs) can provide long-term power to remote electronic systems without the need for refueling or replacement. Plutonium-238 (Pu-238) remains one of the more promising materials for thermoelectric power generation due to its high power density, long half-life, and low gamma emissions. Traditional methods for processing Pu-238 include ball milling irregular precipitated powders before pressing and sintering into a dense pellet. The resulting submicron particulates of Pu-238 quickly accumulate and contaminate glove boxes. An alternative and dust-free method for Pu-238 processing is internal gelation via sol-gel techniques. Sol-gel methodology creates monodisperse and uniform microspheres that can be packed and pressed into a pellet. For this study cerium oxide microspheres were produced as a surrogate to Pu-238. The similar electronic orbitals between cerium and plutonium make cerium an ideal choice for non-radioactive work. Before the microspheres can be sintered and pressed they must be washed to remove the processing oil and any unreacted substituents. An investigation was performed on the washing step to find an appropriate wash solution that reduced waste and flammable risk. Cerium oxide microspheres were processed, washed, and characterized to determine the effectiveness of the new wash solution.

  18. Dose dependent oxidation kinetics of lipids in fish during irradiation processing

    Tukenmez, I.; Ersen, M.S.; Bakioglu, A.T.; Bicer, A.; Pamuk, V.

    1997-01-01

    Kinetic aspects of the development of lipid oxidation in complex foods as fish in the course of irradiation were analyzed with respect to the associated formation of malonaldehyde (MA) through the reactions modified so as to be consistent with those in complex foods as fish. Air-packed anchovy (Engraulis encrasicholus) samples in polyethylene pouches were irradiated at the doses of 1, 2, 5, 10, 15,20 and 25 kGy at 20 o C in a Cs-137 gamma irradiator of 1.806 kGy/h dose rate. Immediately after each irradiation, MA contents of irradiated and unirradiated samples were determined by thiobarbituric acid test. Based on the MA formation, a kinetic model to simulate the apparent oxidation of lipid in fish as a function of irradiation dose was derived from the rate equations consistent with modified reactions. Kinetic parameters and simulation were related to conditions of lipid oxidation, and associated rancidity state of fish with respect to the doses applied in different irradiation-preservation processes. Numerical values of kinetic parameters based on the MA formation were found as a threshold dose of 0.375 kGy, an apparent yield of 1.871 μmol/kg kGy, and a maximum attainable concentration of 15.853 μmol/kg which may be used for process control and dosimetry. (author)

  19. A Thermodynamic Library for Simulation and Optimization of Dynamic Processes

    Ritschel, Tobias Kasper Skovborg; Gaspar, Jozsef; Jørgensen, John Bagterp

    2017-01-01

    Process system tools, such as simulation and optimization of dynamic systems, are widely used in the process industries for development of operational strategies and control for process systems. These tools rely on thermodynamic models and many thermodynamic models have been developed for different...... compounds and mixtures. However, rigorous thermodynamic models are generally computationally intensive and not available as open-source libraries for process simulation and optimization. In this paper, we describe the application of a novel open-source rigorous thermodynamic library, ThermoLib, which...... is designed for dynamic simulation and optimization of vapor-liquid processes. ThermoLib is implemented in Matlab and C and uses cubic equations of state to compute vapor and liquid phase thermodynamic properties. The novelty of ThermoLib is that it provides analytical first and second order derivatives...

  20. Engine process simulation and supercharging. Proceedings; Motorprozesssimulation und Aufladung. Tagungsbeitraege

    Pucher, H.; Kahrstedt, J. (eds.)

    2005-07-01

    Engine process simulation has become an integral part of research and development for all types of internal combustion engines. It allows developers to obtain information on the steady-state and dynamic operating behavior of any type of internal combustion engine at early development stages without costly and laborious testing. Moreover, the entire powertrain can be included in the system under investigation. Engine process simulation is particularly important when it comes to assessing potentials and studying parameters for the development of supercharging concepts. For the investigation of existing combustion systems, however, thermodynamic analysis must be used. Furthermore, simulation nowadays is an important tool for the design and development of controllers. This documentation summarizes an exchange of knowledge and experience on the above-mentioned issues that took place during the first 'Engine Process Simulation and Supercharging' symposium held in Berlin on 30 June and 1 July 2005, i.e. the year marking 100 years of supercharging. The paper in this book report on the following subjects: (a) Use of engine process simulation in the development process. (b) Requirements placed on supercharging in conjunction with conventional and alternative combustion processes. (c) Modeling of supercharging units. (d) Combustion curve analysis as a tool to optimize combustion processes. (e) Engine control: algorithm development up to model-based approaches, sensors/actuators, hardware-in-the-loop. (orig.)

  1. Process for the removal of sulfur oxides and nitrogen oxides from flue gas

    Elshout, R.V.

    1992-01-01

    This patent describes a continuous process for removing sulfur oxide and nitrogen oxide contaminants from the flue gas generated by industrial power plants and boiler systems burning sulfur containing fossil fuels and for converting these contaminants, respectively, into recovered elemental liquid sulfur and nitrogen ammonia and mixtures thereof. It comprises removing at least a portion of the flue gas generated by a power plant or boiler system upstream of the stack thereof; passing the cooled and scrubbed flue gas through an adsorption system; combining a first portion of the reducing gas stream leaving the adsorbers of the adsorption system during regeneration thereof and containing sulfur oxide and nitrogen oxide contaminants with a hydrogen sulfide rich gas stream at a temperature of about 400 degrees F to about 600 degrees F and passing the combined gas streams through a Claus reactor-condenser system over a catalyst in the reactor section thereof which is suitable for promoting the equilibrium reaction between the hydrogen sulfide and the sulfur dioxide of the combined streams to form elemental sulfur

  2. Designing efficient nitrous oxide sampling strategies in agroecosystems using simulation models

    Debasish Saha; Armen R. Kemanian; Benjamin M. Rau; Paul R. Adler; Felipe Montes

    2017-01-01

    Annual cumulative soil nitrous oxide (N2O) emissions calculated from discrete chamber-based flux measurements have unknown uncertainty. We used outputs from simulations obtained with an agroecosystem model to design sampling strategies that yield accurate cumulative N2O flux estimates with a known uncertainty level. Daily soil N2O fluxes were simulated for Ames, IA (...

  3. Process economics and safety considerations for the oxidative dehydrogenation of ethane using the M1 catalyst

    Baroi, Chinmoy; Gaffney, Anne M.; Fushimi, Rebecca

    2017-12-01

    Olefins or unsaturated hydrocarbons play a vital role as feedstock for many industrially significant processes. Ethylene is the simplest olefin and a key raw material for consumer products. Oxidative Dehydrogenation (ODH) is one of the most promising new routes for ethylene production that can offer a significant advantage in energy efficiency over the conventional steam pyrolysis process. This study is focused on the ODH chemistry using the mixed metal oxide MoVTeNbOx catalysts, generally referred to as M1 for the key phase known to be active for dehydrogenation. Using performance results from the patent literature a series of process simulations were conducted to evaluate the effect of feed composition on operating costs, profitability and process safety. The key results of this study indicate that the ODH reaction can be made safer and more profitable without use of an inert diluent and furthermore by replacing O2 with CO2 as an oxidant. Modifications of the M1 catalyst composition in order to adopt these changes are discussed.

  4. Selection of Activities in Dynamic Business Process Simulation

    Toma Rusinaitė

    2016-06-01

    Full Text Available Maintaining dynamicity of business processes is one of the core issues of today's business as it enables businesses to adapt to constantly changing environment. Upon changing the processes, it is vital to assess possible impact, which is achieved by using simulation of dynamic processes. In order to implement dynamicity in business processes, it is necessary to have an ability to change components of the process (a set of activities, a content of activity, a set of activity sequences, a set of rules, performers and resources or dynamically select them during execution. This problem attracted attention of researches over the past few years; however, there is no proposed solution, which ensures the business process (BP dynamicity. This paper proposes and specifies dynamic business process (DBP simulation model, which satisfies all of the formulated DBP requirements.

  5. Investigation of solid organic waste processing by oxidative pyrolysis

    Kolibaba, O. B.; Sokolsky, A. I.; Gabitov, R. N.

    2017-11-01

    A thermal analysis of a mixture of municipal solid waste (MSW) of the average morphological composition and its individual components was carried out in order to develop ways to improve the efficiency of its utilization for energy production in thermal reactors. Experimental studies were performed on a synchronous thermal analyzer NETZSCH STA 449 F3 Jupiter combined with a quadrupole mass spectrometer QMC 403. Based on the results of the experiments, the temperature ranges of the pyrolysis process were determined as well as the rate of decrease of the mass of the sample of solid waste during the drying and oxidative pyrolysis processes, the thermal effects accompanying these processes, as well as the composition and volumes of gases produced during oxidative pyrolysis of solid waste and its components in an atmosphere with oxygen content of 1%, 5%, and 10%. On the basis of experimental data the dependences of the yield of gas on the moisture content of MSW were obtained under different pyrolysis conditions under which a gas of various calorific values was produced.

  6. Plant process computer system upgrades at the KSG simulator centre

    2006-01-01

    The human-machine interface (HMI) of a modern plant process computer system (PPC) differs significantly from that of older systems. Along with HMI changes, there are often improvements to system functionality such as alarm display and printing functions and transient data analysis capabilities. Therefore, the upgrade or replacement of a PPC in the reference plant will typically require an upgrade of the simulator (see Section 6.5.1 for additional information). Several options are available for this type of project including stimulation of a replica system,or emulation, or simulation of PPC functionality within the simulation environment. To simulate or emulate a PCC, detailed knowledge of hardware and software functionality is required. This is typically vendor proprietary information, which leads to licensing and other complications. One of the added benefits of stimulating the PPC system is that the simulator can be used as a test bed for functional testing (i.e. verification and validation) of the system prior to installation in the reference plant. Some of this testing may include validation of the process curve and system diagram displays. Over the past few years several German NPPs decided to modernize their plant process computer (PPC) systems. After the NPPs had selected the desired system to meet their requirements the question arose how to modernize the PPC systems on the corresponding simulators. Six German NPPs selected the same PPC system from the same vendor and it was desired to perform integral tests of the HMI on the simulators. In this case the vendor offered a stimulated variant of their system and it therefore made sense to choose that implementation method for upgrade of the corresponding simulators. The first simulator PPC modernization project can be considered as a prototype project for the follow-on projects. In general, from the simulator project execution perspective the implementation of several stimulated PPC systems of the same type

  7. IMPROVING TACONITE PROCESSING PLANT EFFICIENCY BY COMPUTER SIMULATION, Final Report

    William M. Bond; Salih Ersayin

    2007-03-30

    This project involved industrial scale testing of a mineral processing simulator to improve the efficiency of a taconite processing plant, namely the Minorca mine. The Concentrator Modeling Center at the Coleraine Minerals Research Laboratory, University of Minnesota Duluth, enhanced the capabilities of available software, Usim Pac, by developing mathematical models needed for accurate simulation of taconite plants. This project provided funding for this technology to prove itself in the industrial environment. As the first step, data representing existing plant conditions were collected by sampling and sample analysis. Data were then balanced and provided a basis for assessing the efficiency of individual devices and the plant, and also for performing simulations aimed at improving plant efficiency. Performance evaluation served as a guide in developing alternative process strategies for more efficient production. A large number of computer simulations were then performed to quantify the benefits and effects of implementing these alternative schemes. Modification of makeup ball size was selected as the most feasible option for the target performance improvement. This was combined with replacement of existing hydrocyclones with more efficient ones. After plant implementation of these modifications, plant sampling surveys were carried out to validate findings of the simulation-based study. Plant data showed very good agreement with the simulated data, confirming results of simulation. After the implementation of modifications in the plant, several upstream bottlenecks became visible. Despite these bottlenecks limiting full capacity, concentrator energy improvement of 7% was obtained. Further improvements in energy efficiency are expected in the near future. The success of this project demonstrated the feasibility of a simulation-based approach. Currently, the Center provides simulation-based service to all the iron ore mining companies operating in northern

  8. Cosmetic wastewater treatment by coagulation and advanced oxidation processes.

    Naumczyk, Jeremi; Bogacki, Jan; Marcinowski, Piotr; Kowalik, Paweł

    2014-01-01

    In this study, the treatment process of three cosmetic wastewater types has been investigated. Coagulation allowed to achieve chemical oxygen demand (COD) removal of 74.6%, 37.7% and 74.0% for samples A (Al2(SO4)3), B (Brentafloc F3) and C (PAX 16), respectively. The Fenton process proved to be effective as well - COD removal was equal to 75.1%, 44.7% and 68.1%, respectively. Coagulation with FeCl3 and the subsequent photo-Fenton process resulted in the best values of final COD removal equal to 92.4%, 62.8% and 90.2%. In case of the Fenton process, after coagulation these values were equal to 74.9%, 50.1% and 84.8%, while in case of the H2O2/UV process, the obtained COD removal was 83.8%, 36.2% and 80.9%. High value of COD removal in the Fenton process carried out for A and C wastewater samples was caused by a significant contribution of the final neutralization/coagulation. Very small effect of the oxidation reaction in the Fenton process in case of sample A resulting from the presence of antioxidants, 'OH radical scavengers' in the wastewater.

  9. Optimization of forging processes using finite element simulations

    Bonte, M.H.A.; Fourment, Lionel; Do, Tien-tho; van den Boogaard, Antonius H.; Huetink, Han

    2010-01-01

    During the last decades, simulation software based on the Finite Element Method (FEM) has significantly contributed to the design of feasible forming processes. Coupling FEM to mathematical optimization algorithms offers a promising opportunity to design optimal metal forming processes rather than

  10. Electrical Storm Simulation to Improve the Learning Physics Process

    Martínez Muñoz, Miriam; Jiménez Rodríguez, María Lourdes; Gutiérrez de Mesa, José Antonio

    2013-01-01

    This work is part of a research project whose main objective is to understand the impact that the use of Information and Communication Technology (ICT) has on the teaching and learning process on the subject of Physics. We will show that, with the use of a storm simulator, physics students improve their learning process on one hand they understand…

  11. On the simulation of annihilation process of positrons in flight

    Dobrynin, Yu.L.

    1988-01-01

    The process of annihilation (AN) of positrons with the energy lower than 50 MeV in flight is sequentially considered.Formulae and data tables necessary for calculating probabilities and kinematics of AN process are presented in a suitable for computerized simulation algorithmic form

  12. Modeling and simulation for process and safeguards system design

    Gutmacher, R.G.; Kern, E.A.; Duncan, D.R.; Benecke, M.W.

    1983-01-01

    A computer modeling and simulation approach that meets the needs of both the process and safeguards system designers is described. The results have been useful to Westinghouse Hanford Company process designers in optimizing the process scenario and operating scheme of the Secure Automated Fabrication line. The combined process/measurements model will serve as the basis for design of the safeguards system. Integration of the process design and the safeguards system design should result in a smoothly operating process that is easier to safeguard

  13. Controls of nitrous oxide emission after simulated cattle urine deposition

    Baral, Khagendra Raj; Thomsen, Anton Gårde; Olesen, Jørgen E

    2014-01-01

    Urine deposited during grazing is a significant source of atmospheric nitrous oxide (N2O). The potential for N2O emissions from urine patches is high, and a better understanding of controls is needed. This study investigated soil nitrogen (N) dynamics and N2O emissions from cattle urine...

  14. Remediation of a winery wastewater combining aerobic biological oxidation and electrochemical advanced oxidation processes.

    Moreira, Francisca C; Boaventura, Rui A R; Brillas, Enric; Vilar, Vítor J P

    2015-05-15

    Apart from a high biodegradable fraction consisting of organic acids, sugars and alcohols, winery wastewaters exhibit a recalcitrant fraction containing high-molecular-weight compounds as polyphenols, tannins and lignins. In this context, a winery wastewater was firstly subjected to a biological oxidation to mineralize the biodegradable fraction and afterwards an electrochemical advanced oxidation process (EAOP) was applied in order to mineralize the refractory molecules or transform them into simpler ones that can be further biodegraded. The biological oxidation led to above 97% removals of dissolved organic carbon (DOC), chemical oxygen demand (COD) and 5-day biochemical oxygen demand (BOD5), but was inefficient on the degradation of a bioresistant fraction corresponding to 130 mg L(-1) of DOC, 380 mg O2 L(-1) of COD and 8.2 mg caffeic acid equivalent L(-1) of total dissolved polyphenols. Various EAOPs such as anodic oxidation with electrogenerated H2O2 (AO-H2O2), electro-Fenton (EF), UVA photoelectro-Fenton (PEF) and solar PEF (SPEF) were then applied to the recalcitrant effluent fraction using a 2.2 L lab-scale flow plant containing an electrochemical cell equipped with a boron-doped diamond (BDD) anode and a carbon-PTFE air-diffusion cathode and coupled to a photoreactor with compound parabolic collectors (CPCs). The influence of initial Fe(2+) concentration and current density on the PEF process was evaluated. The relative oxidative ability of EAOPs increased in the order AO-H2O2 < EF < PEF ≤ SPEF. The SPEF process using an initial Fe(2+) concentration of 35 mg L(-1), current density of 25 mA cm(-2), pH of 2.8 and 25 °C reached removals of 86% on DOC and 68% on COD after 240 min, regarding the biologically treated effluent, along with energy consumptions of 45 kWh (kg DOC)(-1) and 5.1 kWh m(-3). After this coupled treatment, color, odor, COD, BOD5, NH4(+), NO3(-) and SO4(2-) parameters complied with the legislation targets and, in addition, a total

  15. Oxidative stability of rice bran, corn, canola, sunflower and soybean oils d baking process and storage of bread

    Najmeh Jahani

    2016-01-01

    Full Text Available Oxidation of bread lipids during baking and storage reduces the nutritional value of the product and leads to the formation of off-flavors and off-odors. In this research, oxidative stability of rice bran, corn, canola, sunflower and soybean oils during Brotchen bread baking process and storage was evaluated. Baking process caused a significant increase in oxidative indices such as peroxide, anisidine, Totox and thiobarbitoric acid values and free fatty acid content. However, storage of breads for 6 days in room temperature did not affect the value of the indices. Generaly, the value of the indices in bread containing rice bran oil was lower than those of the other breads, which indicated the higher oxidative stability of rice bran oil in baking process and storage. Pure oils treated in simulated baking process and storage had an oxidative quality similar to that of breads. This means that bread ingridients may not have an effect on oil oxidative stability. Bread containing rice bran oil gained also higher scores in sensory evaluation, which of course were in agree with its better oxidative status.

  16. Process for depositing epitaxial alkaline earth oxide onto a substrate and structures prepared with the process

    McKee, Rodney A.; Walker, Frederick J.

    1996-01-01

    A process and structure involving a silicon substrate utilize molecular beam epitaxy (MBE) and/or electron beam evaporation methods and an ultra-high vacuum facility to grow a layup of epitaxial alkaline earth oxide films upon the substrate surface. By selecting metal constituents for the oxides and in the appropriate proportions so that the lattice parameter of each oxide grown closely approximates that of the substrate or base layer upon which oxide is grown, lattice strain at the film/film or film/substrate interface of adjacent films is appreciably reduced or relieved. Moreover, by selecting constituents for the oxides so that the lattice parameters of the materials of adjacent oxide films either increase or decrease in size from one parameter to another parameter, a graded layup of films can be grown (with reduced strain levels therebetween) so that the outer film has a lattice parameter which closely approximates that of, and thus accomodates the epitaxial growth of, a pervoskite chosen to be grown upon the outer film.

  17. Analysis of Using Resources in Business Process Modeling and Simulation

    Vasilecas Olegas

    2014-12-01

    Full Text Available One of the key purposes of Business Process Model and Notation (BPMN is to support graphical representation of the process model. However, such models have a lack of support for the graphical representation of resources, whose processes are used during simulation or execution of process instance. The paper analyzes different methods and their extensions for resource modeling. Further, this article presents a selected set of resource properties that are relevant for resource modeling. The paper proposes an approach that explains how to use the selected set of resource properties for extension of process modeling using BPMN and simulation tools. They are based on BPMN, where business process instances use resources in a concurrency manner.

  18. Used nuclear fuel separations process simulation and testing

    Pereira, C.; Krebs, J.F.; Copple, J.M.; Frey, K.E.; Maggos, L.E.; Figueroa, J.; Willit, J.L.; Papadias, D.D.

    2013-01-01

    Recent efforts in separations process simulation at Argonne have expanded from the traditional focus on solvent extraction flowsheet design in order to capture process dynamics and to simulate other components, processing and systems of a used nuclear fuel reprocessing plant. For example, the Argonne Model for Universal Solvent Extraction (AMUSE) code has been enhanced to make it both more portable and more readily extensible. Moving away from a spreadsheet environment makes the addition of new species and processes simpler for the expert user, which should enable more rapid implementation of chemical models that simulate evolving processes. The dyAMUSE (dynamic AMUSE) version allows the simulation of transient behavior across an extractor. Electrochemical separations have now been modeled using spreadsheet codes that simulate the electrochemical recycle of fast reactor fuel. The user can follow the evolution of the salt, products, and waste compositions in the electro-refiner, cathode processors, and drawdown as a function of fuel batches treated. To further expand capabilities in integrating multiple unit operations, a platform for linking mathematical models representing the different operations that comprise a reprocessing facility was adapted to enable systems-level analysis and optimization of facility functions. (authors)

  19. Used nuclear fuel separations process simulation and testing

    Pereira, C.; Krebs, J.F.; Copple, J.M.; Frey, K.E.; Maggos, L.E.; Figueroa, J.; Willit, J.L.; Papadias, D.D. [Argonne National Laboratory: 9700 South Cass Avenue, Argonne, IL 60439 (United States)

    2013-07-01

    Recent efforts in separations process simulation at Argonne have expanded from the traditional focus on solvent extraction flowsheet design in order to capture process dynamics and to simulate other components, processing and systems of a used nuclear fuel reprocessing plant. For example, the Argonne Model for Universal Solvent Extraction (AMUSE) code has been enhanced to make it both more portable and more readily extensible. Moving away from a spreadsheet environment makes the addition of new species and processes simpler for the expert user, which should enable more rapid implementation of chemical models that simulate evolving processes. The dyAMUSE (dynamic AMUSE) version allows the simulation of transient behavior across an extractor. Electrochemical separations have now been modeled using spreadsheet codes that simulate the electrochemical recycle of fast reactor fuel. The user can follow the evolution of the salt, products, and waste compositions in the electro-refiner, cathode processors, and drawdown as a function of fuel batches treated. To further expand capabilities in integrating multiple unit operations, a platform for linking mathematical models representing the different operations that comprise a reprocessing facility was adapted to enable systems-level analysis and optimization of facility functions. (authors)

  20. Computer simulation of damage processes during ion implantation

    Kang, H.J.; Shimizu, R.; Saito, T.; Yamakawa, H.

    1987-01-01

    A new version for the marlowe code, which enables dynamic simulation of damage processes during ion implantation to be performed, has been developed. This simulation code is based on uses of the Ziegler--Biersack--Littmark potential [in Proceedings of the International Engineering Congress on Ion Sources and Ion-Assisted Technology, edited by T. Takagi (Ionic Co., Tokyo, 1983), p. 1861] for elastic scattering and Firsov's equation [O. B. Firsov, Sov. Phys. JETP 61, 1453 (1971)] for electron stopping

  1. 3D numerical simulation of transient processes in hydraulic turbines

    Cherny, S; Chirkov, D; Lapin, V; Eshkunova, I; Bannikov, D; Avdushenko, A; Skorospelov, V

    2010-01-01

    An approach for numerical simulation of 3D hydraulic turbine flows in transient operating regimes is presented. The method is based on a coupled solution of incompressible RANS equations, runner rotation equation, and water hammer equations. The issue of setting appropriate boundary conditions is considered in detail. As an illustration, the simulation results for runaway process are presented. The evolution of vortex structure and its effect on computed runaway traces are analyzed.

  2. 3D numerical simulation of transient processes in hydraulic turbines

    Cherny, S.; Chirkov, D.; Bannikov, D.; Lapin, V.; Skorospelov, V.; Eshkunova, I.; Avdushenko, A.

    2010-08-01

    An approach for numerical simulation of 3D hydraulic turbine flows in transient operating regimes is presented. The method is based on a coupled solution of incompressible RANS equations, runner rotation equation, and water hammer equations. The issue of setting appropriate boundary conditions is considered in detail. As an illustration, the simulation results for runaway process are presented. The evolution of vortex structure and its effect on computed runaway traces are analyzed.

  3. Manufacturing Process Simulation of Large-Scale Cryotanks

    Babai, Majid; Phillips, Steven; Griffin, Brian

    2003-01-01

    NASA's Space Launch Initiative (SLI) is an effort to research and develop the technologies needed to build a second-generation reusable launch vehicle. It is required that this new launch vehicle be 100 times safer and 10 times cheaper to operate than current launch vehicles. Part of the SLI includes the development of reusable composite and metallic cryotanks. The size of these reusable tanks is far greater than anything ever developed and exceeds the design limits of current manufacturing tools. Several design and manufacturing approaches have been formulated, but many factors must be weighed during the selection process. Among these factors are tooling reachability, cycle times, feasibility, and facility impacts. The manufacturing process simulation capabilities available at NASA.s Marshall Space Flight Center have played a key role in down selecting between the various manufacturing approaches. By creating 3-D manufacturing process simulations, the varying approaches can be analyzed in a virtual world before any hardware or infrastructure is built. This analysis can detect and eliminate costly flaws in the various manufacturing approaches. The simulations check for collisions between devices, verify that design limits on joints are not exceeded, and provide cycle times which aide in the development of an optimized process flow. In addition, new ideas and concerns are often raised after seeing the visual representation of a manufacturing process flow. The output of the manufacturing process simulations allows for cost and safety comparisons to be performed between the various manufacturing approaches. This output helps determine which manufacturing process options reach the safety and cost goals of the SLI. As part of the SLI, The Boeing Company was awarded a basic period contract to research and propose options for both a metallic and a composite cryotank. Boeing then entered into a task agreement with the Marshall Space Flight Center to provide manufacturing

  4. Treatment of plutonium process residues by molten salt oxidation

    Stimmel, J.; Wishau, R.; Ramsey, K.B.; Montoya, A.; Brock, J. [Los Alamos National Lab., NM (United States); Heslop, M. [Naval Surface Warfare Center (United States). Indian Head Div.; Wernly, K. [Molten Salt Oxidation Corp. (United States)

    1999-04-01

    Molten Salt Oxidation (MSO) is a thermal process that can remove more than 99.999% of the organic matrix from combustible {sup 238}Pu material. Plutonium processing residues are injected into a molten salt bed with an excess of air. The salt (sodium carbonate) functions as a catalyst for the conversion of the organic material to carbon dioxide and water. Reactive species such as fluorine, chlorine, bromine, iodine, sulfur, phosphorous and arsenic in the organic waste react with the molten salt to form the corresponding neutralized salts, NaF, NaCl, NaBr, NaI, Na{sub 2}SO{sub 4}, Na{sub 3}PO{sub 4} and NaAsO{sub 2} or Na{sub 3}AsO4. Plutonium and other metals react with the molten salt and air to form metal salts or oxides. Saturated salt will be recycled and aqueous chemical separation will be used to recover the {sup 238}Pu. The Los Alamos National Laboratory system, which is currently in the conceptual design stage, will be scaled down from current systems for use inside a glovebox.

  5. Process for producing metal oxide kernels and kernels so obtained

    Lelievre, Bernard; Feugier, Andre.

    1974-01-01

    The process desbribed is for producing fissile or fertile metal oxide kernels used in the fabrication of fuels for high temperature nuclear reactors. This process consists in adding to an aqueous solution of at least one metallic salt, particularly actinide nitrates, at least one chemical compound capable of releasing ammonia, in dispersing drop by drop the solution thus obtained into a hot organic phase to gel the drops and transform them into solid particles. These particles are then washed, dried and treated to turn them into oxide kernels. The organic phase used for the gel reaction is formed of a mixture composed of two organic liquids, one acting as solvent and the other being a product capable of extracting the anions from the metallic salt of the drop at the time of gelling. Preferably an amine is used as product capable of extracting the anions. Additionally, an alcohol that causes a part dehydration of the drops can be employed as solvent, thus helping to increase the resistance of the particles [fr

  6. Treatment of hazardous waste landfill leachate using Fenton oxidation process

    Singa, Pradeep Kumar; Hasnain Isa, Mohamed; Ho, Yeek-Chia; Lim, Jun-Wei

    2018-03-01

    The efficiency of Fenton's oxidation was assessed in this study for hazardous waste landfill leachate treatment. The two major reagents, which are generally employed in Fenton's process are H2O2 as oxidizing agent and Fe2+ as catalyst. Batch experiments were conducted to determine the effect of experimental conditions viz., reaction time, molar ratio, and Fenton reagent dosages, which are significant parameters that influence the degradation efficiencies of Fenton process were examined. It was found that under the favorable experimental conditions, maximum COD removal was 56.49%. The optimum experimental conditions were pH=3, H2O2/Fe2+ molar ratio = 3 and reaction time = 150 minutes. The optimal amount of hydrogen peroxide and iron were 0.12 mol/L and 0.04 mol/L respectively. High dosages of H2O2 and iron resulted in scavenging effects on OH• radicals and lowered degradation efficiency of organic compounds in the hazardous waste landfill leachate.

  7. Treatment of plutonium process residues by molten salt oxidation

    Stimmel, J.; Wishau, R.; Ramsey, K.B.; Montoya, A.; Brock, J.; Heslop, M.

    1999-01-01

    Molten Salt Oxidation (MSO) is a thermal process that can remove more than 99.999% of the organic matrix from combustible 238 Pu material. Plutonium processing residues are injected into a molten salt bed with an excess of air. The salt (sodium carbonate) functions as a catalyst for the conversion of the organic material to carbon dioxide and water. Reactive species such as fluorine, chlorine, bromine, iodine, sulfur, phosphorous and arsenic in the organic waste react with the molten salt to form the corresponding neutralized salts, NaF, NaCl, NaBr, NaI, Na 2 SO 4 , Na 3 PO 4 and NaAsO 2 or Na 3 AsO4. Plutonium and other metals react with the molten salt and air to form metal salts or oxides. Saturated salt will be recycled and aqueous chemical separation will be used to recover the 238 Pu. The Los Alamos National Laboratory system, which is currently in the conceptual design stage, will be scaled down from current systems for use inside a glovebox

  8. Application of advanced oxidative process in treatment radioactive waste

    Kim, Catia; Sakata, Solange K.; Ferreira, Rafael V.P.; Marumo, Julio T.

    2009-01-01

    The ion exchange resin is used in the water purification system in both nuclear research and power reactors. Combined with active carbon, the resin removes dissolved elements from water when the nuclear reactor is operating. After its consumption, it becomes a special type of radioactive waste. The usual treatment to this type of waste is the immobilization with Portland cement, which is simple and low cost. However, its low capacity of immobilization and the increase volume of waste have been the challenges. The development of new technologies capable of destroying this waste completely by increasing its solidification is the main target due to the possibility of both volume and cost reduction. The objective of this work was to evaluate ion exchange resin degradation by Advanced Oxidative Process using Fenton's Reagent (H 2 O 2 / Fe +2 ) in different concentration and temperatures. One advantage of this process is that all additional organic compounds or inorganic solids produced are oxidized easily. The degradation experiments were conducted with IRA-400 resin and Fenton's Reagents, varying the H 2O 2 concentration (30% e 50%) and heat temperature (25, 60 and 100 deg C). The resin degradation was confirmed by the presence of BaCO 3 as a white precipitate resulting from the reaction between the Ba(OH) 2 and the CO 2 from the resin degradation. All experiments run in duplicate. Higher degradation was observed with Fenton's Reagent (Fe +2 /H 2 O 2 30%) at 100 deg C after 2 hours. (author)

  9. Computer simulation of processes in the dead–end furnace

    Zavorin, A S; Khaustov, S A; Zaharushkin, Russia N A

    2014-01-01

    We study turbulent combustion of natural gas in the reverse flame of fire–tube boiler simulated with the ANSYS Fluent 12.1.4 engineering simulation software. Aerodynamic structure and volumetric pressure fields of the flame were calculated. The results are presented in graphical form. The effect of the twist parameter for a drag coefficient of dead–end furnace was estimated. Finite element method was used for simulating the following processes: the combustion of methane in air oxygen, radiant and convective heat transfer, turbulence. Complete geometric model of the dead–end furnace based on boiler drawings was considered

  10. Knowledge Based Cloud FE Simulation of Sheet Metal Forming Processes.

    Zhou, Du; Yuan, Xi; Gao, Haoxiang; Wang, Ailing; Liu, Jun; El Fakir, Omer; Politis, Denis J; Wang, Liliang; Lin, Jianguo

    2016-12-13

    The use of Finite Element (FE) simulation software to adequately predict the outcome of sheet metal forming processes is crucial to enhancing the efficiency and lowering the development time of such processes, whilst reducing costs involved in trial-and-error prototyping. Recent focus on the substitution of steel components with aluminum alloy alternatives in the automotive and aerospace sectors has increased the need to simulate the forming behavior of such alloys for ever more complex component geometries. However these alloys, and in particular their high strength variants, exhibit limited formability at room temperature, and high temperature manufacturing technologies have been developed to form them. Consequently, advanced constitutive models are required to reflect the associated temperature and strain rate effects. Simulating such behavior is computationally very expensive using conventional FE simulation techniques. This paper presents a novel Knowledge Based Cloud FE (KBC-FE) simulation technique that combines advanced material and friction models with conventional FE simulations in an efficient manner thus enhancing the capability of commercial simulation software packages. The application of these methods is demonstrated through two example case studies, namely: the prediction of a material's forming limit under hot stamping conditions, and the tool life prediction under multi-cycle loading conditions.

  11. Solar photoassisted advanced oxidation process of azo dyes.

    Prato-Garcia, D; Buitrón, G

    2009-01-01

    Advanced oxidation processes assisted with natural solar radiation in CPC type reactors (parabolic collector compound), was applied for the degradation of three azo dyes: acid orange (AO7), acid red 151 (AR151) and acid blue 113 (AB113). Fenton, Fenton like and ferrioxalate-type complexes showed to be effective for degrade the azo linkage and moieties in different extensions. Initially, the best dose of reagents (Fe(3 + )-H(2)O(2)) was determined through a factorial experimental design, next, using response surface methodologies, the reagent consumption was reduced up to 40%, maintaining in all cases high decolourisation percentages (>98%) after 60 min. of phototreatment. In this work, it was also studied the effect of concentration changes of the influent between 100-300 mg/L and the operation of the photocatalytic process near neutral conditions (pH 6.0-6.5) by using ferrioxalate type complex (FeOx).

  12. Role of thermal analysis in uranium oxide fuel fabrication process

    Balaji Rao, Y.; Yadav, R.B.

    2006-01-01

    The present paper discusses the application of thermal analysis, particularly, differential thermal analysis (Dta) at various stages of fuel fabrication process. The useful role of Dta in knowing the decomposition pattern and calcination temperature of Adu along with de-nitration temperature is explained. The decomposition pattern depends upon the type of drying process adopted for wet ADU cake (ADU C). Also, the paper highlights the utility of DTA in determining the APS and SSA of UO 2+x and U 3 O 8 powders as an alternate technique. Further, the temperature difference (ΔT max ) between the two exothermic peaks obtained in UO 2+x powder oxidation is related to sintered density of UO 2 pellets. (author)

  13. Animated-simulation modeling facilitates clinical-process costing.

    Zelman, W N; Glick, N D; Blackmore, C C

    2001-09-01

    Traditionally, the finance department has assumed responsibility for assessing process costs in healthcare organizations. To enhance process-improvement efforts, however, many healthcare providers need to include clinical staff in process cost analysis. Although clinical staff often use electronic spreadsheets to model the cost of specific processes, PC-based animated-simulation tools offer two major advantages over spreadsheets: they allow clinicians to interact more easily with the costing model so that it more closely represents the process being modeled, and they represent cost output as a cost range rather than as a single cost estimate, thereby providing more useful information for decision making.

  14. All solution roll-to-roll processed polymer solar cells free from indium-tin-oxide and vacuum coating steps

    Krebs, Frederik C

    2009-01-01

    of a bottom electrode comprising silver nanoparticles on a 130 micron thick polyethyleneternaphthalate (PEN) substrate. Subsequently an electron transporting layer of zinc oxide nanoparticles was applied from solution followed by an active layer of P3HT-PCBM and a hole transporting layer of PEDOT......, 3 and 8 stripes. All five layers in the device were processed from solution in air and no vacuum steps were employed. An additional advantage is that the use of indium-tin-oxide (ITO) is avoided in this process. The devices were tested under simulated sunlight (1000 W m−2, AM1.5G) and gave a typical...

  15. Process for depositing an oxide epitaxially onto a silicon substrate and structures prepared with the process

    McKee, Rodney A.; Walker, Frederick J.

    1993-01-01

    A process and structure involving a silicon substrate utilizes an ultra high vacuum and molecular beam epitaxy (MBE) methods to grow an epitaxial oxide film upon a surface of the substrate. As the film is grown, the lattice of the compound formed at the silicon interface becomes stabilized, and a base layer comprised of an oxide having a sodium chloride-type lattice structure grows epitaxially upon the compound so as to cover the substrate surface. A perovskite may then be grown epitaxially upon the base layer to render a product which incorporates silicon, with its electronic capabilities, with a perovskite having technologically-significant properties of its own.

  16. DYNSIR; A dynamic simulator for the chemical process

    Park, Hyun Soo; Yoo, Jae Hyung; Byeon, Kee Hoh; Park, Jeong Hwa; Park, Seong Won

    1990-03-01

    A program code for dynamic simulation of arbitrary chemical process, called DYNSIR, is developed. The code can simulate rather arbitrary arrangements of individual chemical processing units whose models are described by ordinary differential equations. The code structure to handle input/output, memory and data management, numerical interactive or predetermined changes in parameter values during the simulation. Individual model is easy to maintain since the modular approach is used. The integration routine is highly effective because of the development of algorithm for modular integration method using the cubic spline. DYNSIR's data structures are not the index but the pointer structure. This pointer structure allows the dynamic memory allocation for the memory management. The dynamic memory allocation methods is to minimize the amount of memories and to overcome the limitation of the number of variables to be used. Finally, it includes various functions, such as the input preprocessor, the effective error processing, and plotting and reporting routines. (author)

  17. Supernova and r-process simulations with relativistic EOS table

    Sumiyoshi, Kohsuke

    2000-01-01

    We study the neutrino-driven wind from the proto-neutron star by the general relativistic hydrodynamical simulations. We examine the properties of the neutrino-driven wind to explore the possibility of the r-process nucleosynthesis. The numerical simulations with the neutrino heating and cooling processes are performed with the assumption of the constant neutrino luminosity by using realistic profiles of the proto-neutron star (PNS) as well as simplified models. The dependence on the mass of PNS and the neutrino luminosity is studied systematically. Comparisons with the analytic treatment in the previous studies are also done. In the cases with the realistic PNS, we found that the entropy per baryon and the expansion time scale are neither high nor short enough for the r-process within the current assumptions. On the other hand, we found that the expansion time scale obtained by the hydrodynamical simulations is systematically shorter than that in the analytic solutions due to our proper treatment of the equation of state. This fact might lead to the increase of the neutron-to-seed ratio, which is suitable for the r-process in the neutrino-driven wind. Indeed, in the case of massive and compact proto-neutron stars with high neutrino luminosities, the expansion time scale is found short enough in the hydrodynamical simulations and the r-process elements up to A ∼ 200 are produced in the r-process network calculation. (author)

  18. Development studies for a novel wet oxidation process. Phase 2

    1994-07-01

    DETOX SM is a catalyzed wet oxidation process which destroys organic materials in an acidic water solution of iron at 373 to 473 K. The solution can be used repeatedly to destroy great amounts of organic materials. Since the process is conducted in a contained vessel, air emissions from the process can be well controlled. The solution is also capable of dissolving and concentrating many heavy and radioactive metals for eventual stabilization and disposal. The Phase 2 effort for this project is site selection and engineering design for a DETOX demonstration unit. Site selection was made using a set of site selection criteria and evaluation factors. A survey of mixed wastes at DOE sites was conducted using the Interim Mixed Waste Inventory Report. Sites with likely suitable waste types were identified. Potential demonstration sites were ranked based on waste types, interest, regulatory needs, scheduling, ability to provide support, and available facilities. Engineering design for the demonstration unit is in progress and is being performed by Jacobs Applied Technology. The engineering design proceeded through preliminary process flow diagrams (PFDs), calculation of mass and energy balances for representative waste types, process and instrumentation diagrams (P and IDs), preparation of component specifications, and a firm cost estimate for fabrication of the demonstration unit

  19. Treatment of petroleum refinery sourwater by advanced oxidation processes

    Coelho, Alessandra; Castro, Antonio V.; Dezotti, Marcia; Sant'Anna, G.L.

    2006-01-01

    The performance of several oxidation processes to remove organic pollutants from sourwater was investigated. Sourwater is a specific stream of petroleum refineries, which contains slowly biodegradable compounds and toxic substances that impair the industrial biological wastewater treatment system. Preliminary experiments were conducted, using the following processes: H 2 O 2 , H 2 O 2 /UV, UV, photocatalysis, ozonation, Fenton and photo-Fenton. All processes, except Fenton and photo-Fenton, did not lead to satisfactory results, reducing at most 35% of the sourwater dissolved organic carbon (DOC). Thus, further experiments were performed with these two techniques to evaluate process conditions and organic matter removal kinetics. Batch experiments revealed that the Fenton reaction is very fast and reaches, in a few minutes, an ultimate DOC removal of 13-27%, due to the formation of iron complexes. Radiation for an additional period of 60 min can increase DOC removal up to 87%. Experiments were also conducted in a continuous mode, operating one 0.4 L Fenton stirred reactor and one 1.6 L photo-Fenton reactor in series. DOC removals above 75% were reached, when the reaction system was operated with hydraulic retention times (HRT) higher than 85 min. An empirical mathematical model was proposed to represent the DOC removal kinetics, allowing predicting process performance quite satisfactorily

  20. Study on emission characteristics and reduction strategy of nitrous oxide during wastewater treatment by different processes.

    Sun, Shichang; Bao, Zhiyuan; Sun, Dezhi

    2015-03-01

    Given the inexorable increase in global wastewater treatment, increasing amounts of nitrous oxide are expected to be emitted from wastewater treatment plants and released to the atmosphere. It has become imperative to study the emission and control of nitrous oxide in the various wastewater treatment processes currently in use. In the present investigation, the emission characteristics and the factors affecting the release of nitrous oxide were studied via full- and pilot-scale experiments in anoxic-oxic, sequencing batch reactor and oxidation ditch processes. We propose an optimal treatment process and relative strategy for nitrous oxide reduction. Our results show that both the bio-nitrifying and bio-denitrifying treatment units in wastewater treatment plants are the predominant sites for nitrous oxide production in each process, while the aerated treatment units are the critical sources for nitrous oxide emission. Compared with the emission of nitrous oxide from the anoxic-oxic (1.37% of N-influent) and sequencing batch reactor (2.69% of N-influent) processes, much less nitrous oxide (0.25% of N-influent) is emitted from the oxidation ditch process, which we determined as the optimal wastewater treatment process for nitrous oxide reduction, given the current technologies. Nitrous oxide emissions differed with various operating parameters. Controlling the dissolved oxygen concentration at a proper level during nitrification and denitrification and enhancing the utilization rate of organic carbon in the influent for denitrification are the two critical methods for nitrous oxide reduction in the various processes considered.

  1. Characterizing and simulation the scintillation properties of zinc oxide nanowires in AAO membrane for medical imaging applications

    Esfandi, F.; Saramad, S.; Shahmirzadi, M. Rezaei

    2017-01-01

    In this work, a new method is proposed for extracting some X-ray detection properties of ZnO nanowires electrodeposited on Anodized Aluminum Oxide (AAO) nanoporous template. The results show that the detection efficiency for 12μm thickness of zinc oxide nano scintillator at an energy of 9.8 keV, near the K-edge of ZnO (9.65 keV), is 24%. The X-rays that interact with AAO can also generate electrons that reach the nano scintillator. The scintillation events of these electrons are seen as a low energy tail in the spectrum. In addition, it is found that all the X-rays that are absorbed in 300 nm thickness of the gold layer on the top of the zinc oxide nanowires can participate in the scintillation process with an efficiency of 6%. Hence, the scintillation detection efficiency of the whole detector for 9.8 keV X-ray energy is 30%. The simulation results from Geant4 and the experimental detected photons per MeV energy deposition are also used to extract the light yield of the zinc oxide nano scintillator. The results show that the light yield of the zinc oxide nanowires deposited by the electrochemical method is approximately the same as for single crystal zinc oxide scintillator (9000). Much better spatial resolution of this nano scintillator in comparison to the bulk ones is an advantage which candidates this nano scintillator for medical imaging applications.

  2. Alkaline electrochemical advanced oxidation process for chromium oxidation at graphitized multi-walled carbon nanotubes.

    Xue, Yudong; Zheng, Shili; Sun, Zhi; Zhang, Yi; Jin, Wei

    2017-09-01

    Alkaline electrochemical advanced oxidation processes for chromium oxidation and Cr-contaminated waste disposal were reported in this study. The highly graphitized multi-walled carbon nanotubes g-MWCNTs modified electrode was prepared for the in-situ electrochemical generation of HO 2 - . RRDE test results illustrated that g-MWCNTs exhibited much higher two-electron oxygen reduction activity than other nanocarbon materials with peak current density of 1.24 mA cm -2 , %HO 2 - of 77.0% and onset potential of -0.15 V (vs. Hg/HgO). It was originated from the highly graphitized structure and good electrical conductivity as illustrated from the Raman, XRD and EIS characterizations, respectively. Large amount of reactive oxygen species (HO 2 - and ·OH) were in-situ electro-generated from the two-electron oxygen reduction and chromium-induced alkaline electro-Fenton-like reaction. The oxidation of Cr(III) was efficiently achieved within 90 min and the conversion ratio maintained more than 95% of the original value after stability test, offering an efficient and green approach for the utilization of Cr-containing wastes. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. Simulation Models of Human Decision-Making Processes

    Nina RIZUN

    2014-10-01

    Full Text Available The main purpose of the paper is presentation of the new concept of human decision-making process modeling via using the analogy with Automatic Control Theory. From the author's point of view this concept allows to develop and improve the theory of decision-making in terms of the study and classification of specificity of the human intellectual processes in different conditions. It was proved that the main distinguishing feature between the Heuristic / Intuitive and Rational Decision-Making Models is the presence of so-called phenomenon of "enrichment" of the input information with human propensity, hobbies, tendencies, expectations, axioms and judgments, presumptions or bias and their justification. In order to obtain additional knowledge about the basic intellectual processes as well as the possibility of modeling the decision results in various parameters characterizing the decision-maker, the complex of the simulation models was developed. These models are based on the assumptions that:  basic intellectual processes of the Rational Decision-Making Model can be adequately simulated and identified by the transient processes of the proportional-integral-derivative controller; basic intellectual processes of the Bounded Rationality and Intuitive Models can be adequately simulated and identified by the transient processes of the nonlinear elements.The taxonomy of the most typical automatic control theory elements and their compliance with certain decision-making models with a point of view of decision-making process specificity and decision-maker behavior during a certain time of professional activity was obtained.

  4. Improving the accuracy of micro injection moulding process simulations

    Marhöfer, David Maximilian; Tosello, Guido; Islam, Aminul

    and are therefore limited in the capability of modelling the polymer flow in micro cavities. Hence, new strategies for comprehensive simulation models which provide more precise results open up new opportunities and will be discussed. Modelling and meshing recommendations are presented, leading to a multi......Process simulations in micro injection moulding aim at the optimization and support of the design of the mould, mould inserts, the plastic product, and the process. Nevertheless, dedicated software packages for micro injection moulding are not available. They are developed for macro plastic parts...

  5. Advancements on the simulation of the micro injection moulding process

    Marhöfer, David Maximilian; Tosello, Guido; Hansen, Hans Nørgaard

    2013-01-01

    injection molding, because they are developed for macro plastic parts and they are therefore limited in the capability of modeling the polymer flow in micro cavities properly. However, new opportunities for improved accuracy have opened up due to current developments of the simulation technology. Hence, new......Process simulations are applied in micro injection molding with the same purpose as in conventional injection molding: aiming at optimization and support of the design of mold, inserts, plastic products, and the process itself. Available software packages are however not well suited for micro...

  6. Experimental Simulations to Understand the Lunar and Martian Surficial Processes

    Zhao, Y. Y. S.; Li, X.; Tang, H.; Li, Y.; Zeng, X.; Chang, R.; Li, S.; Zhang, S.; Jin, H.; Mo, B.; Li, R.; Yu, W.; Wang, S.

    2016-12-01

    In support with China's Lunar and Mars exploration programs and beyond, our center is dedicated to understand the surficial processes and environments of planetary bodies. Over the latest several years, we design, build and optimize experimental simulation facilities and utilize them to test hypotheses and evaluate affecting mechanisms under controlled conditions particularly relevant to the Moon and Mars. Among the fundamental questions to address, we emphasize on five major areas: (1) Micrometeorites bombardment simulation to evaluate the formation mechanisms of np-Fe0 which was found in lunar samples and the possible sources of Fe. (2) Solar wind implantation simulation to evaluate the alteration/amorphization/OH or H2O formation on the surface of target minerals or rocks. (3) Dusts mobility characteristics on the Moon and other planetary bodies by excitation different types of dust particles and measuring their movements. (4) Mars basaltic soil simulant development (e.g., Jining Martian Soil Simulant (JMSS-1)) and applications for scientific/engineering experiments. (5) Halogens (Cl and Br) and life essential elements (C, H, O, N, P, and S) distribution and speciation on Mars during surficial processes such as sedimentary- and photochemical- related processes. Depending on the variables of interest, the simulation systems provide flexibility to vary source of energy, temperature, pressure, and ambient gas composition in the reaction chambers. Also, simulation products can be observed or analyzed in-situ by various analyzer components inside the chamber, without interrupting the experimental conditions. In addition, behavior of elements and isotopes during certain surficial processes (e.g., evaporation, dissolution, etc.) can be theoretically predicted by our theoretical geochemistry group with thermodynamics-kinetics calculation and modeling, which supports experiment design and result interpretation.

  7. Simulated drought influences oxidative stress in Zea mays seedlings ...

    Drought is an abiotic factor that limits the productivity of crop plants survival and productivity. This study was conducted to evaluate the effects of simulated drought on the malondialdehyde (MDA) and antioxidant enzymes activity in Zea mays. Seedlings were grown for 8 weeks in nursery bags filled with sandy-loam soil in ...

  8. Multiphase simulation of mine waters and aqueous leaching processes

    Pajarre Risto

    2016-01-01

    Full Text Available Managing of large amounts of water in mining and mineral processing sites remains a concern in both actively operated and closed mining areas. When the mining site with its metal or concentrate producing units is operational, the challenge is to find either ways for economical processing with maximum yields, while minimizing the environmental impact of the water usage and waste salt treatments. For safe closure of the site, the environmental control of possible drainage will be needed. For both challenges, the present-day multiphase process simulations tools can be used to provide improved accuracy and better economy in controlling the smooth and environmentally sound operation of the plant. One of the pioneering studies in using the multiphase thermodynamic software in simulation of hydrometallurgical processes was that of Koukkari et al. [1]. The study covered the use of Solgasmix equilibrium software for a number of practical acid digesters. The models were made for sulfuric acid treatments in titania pigment production and in NPK fertilizer manufacturing. During the past two decades the extensive data assessment has taken place particularly in geochemistry and a new versions of geochemical multiphase equilibrium software has been developed. On the other hand, there has been some progress in development of the process simulation software in all the aforementioned fields. Thus, the thermodynamic simulation has become a tool of great importance in development of hydrometallurgical processes. The presentation will cover three example cases of either true pilot or industrial systems including a South African acid mine water drainage treatment, hydrometallurgical extraction of rare earths from uranium leachate in Russia and a multistage process simulation of a Finnish heap leaching mine with its subsequent water treatment system.

  9. Interaction of oxides of nitrogen and aromatic hydrocarbons under simulated atmospheric conditions

    Obrien, R.J.; Green, P.J.; Doty, R.A.; Vanderzanden, J.W.; Easton, R.R.; Irwin, R.P.

    1979-01-01

    The reactions of nitrogen oxides with aromatic hydrocarbons under simulated atmospheric conditions are investigated. Gaseous reaction products formed when toluene is irradiated under simulated atmospheric conditions in the presence of nitrogen oxides were analyzed by gas chromatography. Reaction products detected include acetylene, water, acetaldehyde, acetone, toluene, benzaldehyde, ortho-, meta- and para-cresol, benzyl nitrate and meta- and para-nitrotoluene. Reaction mechanisms yielding the various products are illustrated. The assumption that all the nitrogen oxides observed to be lost from the reaction products can be accounted for by nitric acid formation in the absence of ozone formation is verified by a model in which the hydroxyl radical is assumed to be the only means of removing toluene. Under conditions in which ozone is formed, nitrogen oxide loss is accounted for by ozone formation in addition to nitric acid formation

  10. Simulation study of a PEM fuel cell system fed by hydrogen produced by partial oxidation

    Ozdogan, S [Marmara University, Faculty of Engineering, Istanbul (Turkey); Ersoz, A; Olgun, H [TUBITAK Marmara Research Center, Energy Systems and Environmental Research Institute, Kocaeli (Turkey)

    2003-09-01

    Within the frame of sustainable development, efficient and clean, if possible zero emission energy production technologies are of utmost importance in various sectors such as utilities, industry, households and transportation. Low-temperature fuel cell systems are suitable for powering transportation systems such as automobiles and trucks in an efficient and low-emitting manner. Proton exchange membrane (PEM) fuel cell systems constitute the most promising low temperature fuel cell option being developed globally. PEM fuel cells generate electric power from air and hydrogen or from a hydrogen rich gas via electrochemical reactions. Water and waste heat are the only by-products of PEM fuel cells. There is great interest in converting current hydrocarbon based common transportation fuels such as gasoline and diesel into hydrogen rich gases acceptable by PEM fuel cells. Hydrogen rich gases can be produced from conventional transportation fuels via various reforming technologies. Steam reforming, partial oxidation and auto-thermal reforming are the three major reforming technologies. In this paper, we discuss the results of a simulation study for a PEM fuel cell with partial oxidation. The Aspen HYSYS 3.1 code has been used for simulation purposes. Two liquid hydrocarbon fuels have been selected to investigate the effect of average molecular weights of hydrocarbons, on the fuel processing efficiency. The overall system efficiency depends on the fuel preparation and fuel cell efficiencies as well as on the heat integration within the system. It is desired to investigate the overall system efficiencies for net electrical power production at 100 kW considering bigger scale transport applications. Results indicate that fuel properties, fuel preparation system operating parameters and PEM fuel cell polarization curve characteristics all affect the overall system efficiency. (authors)

  11. Reaction Mechanism for m- Xylene Oxidation in the Claus Process by Sulfur Dioxide

    Sinha, Sourab

    2015-09-24

    In the Claus process, the presence of aromatic contaminants such benzene, toluene, and xylenes (BTX), in the H2S feed stream has a detrimental effect on catalytic reactors, where BTX form soot particles and clog and deactivate the catalysts. Among BTX, xylenes are proven to be most damaging contaminant for catalysts. BTX oxidation in the Claus furnace, before they enter catalyst beds, provides a solution to this problem. A reaction kinetics study on m-xylene oxidation by SO2, an oxidant present in Claus furnace, is presented. The density functional theory is used to study the formation of m-xylene radicals (3-methylbenzyl, 2,6-dimethylphenyl, 2,4-dimethylphenyl, and 3,5-dimethylphenyl) through H-abstraction and their oxidation by SO2. The mechanism begins with SO2 addition on the radicals through an O-atom rather than the S-atom with the release of 180.0-183.1 kJ/mol of reaction energies. This exothermic reaction involves energy barriers in the range 3.9-5.2 kJ/mol for several m-xylene radicals. Thereafter, O-S bond scission takes place to release SO, and the O-atom remaining on aromatics leads to CO formation. Among four m-xylene radicals, the resonantly stabilized 3-methylbenzyl exhibited the lowest SO2 addition and SO elimination rates. The reaction rate constants are provided to facilitate Claus process simulations to find conditions suitable for BTX oxidation. © 2015 American Chemical Society.

  12. Reaction Mechanism for m- Xylene Oxidation in the Claus Process by Sulfur Dioxide

    Sinha, Sourab; Raj, Abhijeet; Al Shoaibi, Ahmed S.; Chung, Suk-Ho

    2015-01-01

    In the Claus process, the presence of aromatic contaminants such benzene, toluene, and xylenes (BTX), in the H2S feed stream has a detrimental effect on catalytic reactors, where BTX form soot particles and clog and deactivate the catalysts. Among BTX, xylenes are proven to be most damaging contaminant for catalysts. BTX oxidation in the Claus furnace, before they enter catalyst beds, provides a solution to this problem. A reaction kinetics study on m-xylene oxidation by SO2, an oxidant present in Claus furnace, is presented. The density functional theory is used to study the formation of m-xylene radicals (3-methylbenzyl, 2,6-dimethylphenyl, 2,4-dimethylphenyl, and 3,5-dimethylphenyl) through H-abstraction and their oxidation by SO2. The mechanism begins with SO2 addition on the radicals through an O-atom rather than the S-atom with the release of 180.0-183.1 kJ/mol of reaction energies. This exothermic reaction involves energy barriers in the range 3.9-5.2 kJ/mol for several m-xylene radicals. Thereafter, O-S bond scission takes place to release SO, and the O-atom remaining on aromatics leads to CO formation. Among four m-xylene radicals, the resonantly stabilized 3-methylbenzyl exhibited the lowest SO2 addition and SO elimination rates. The reaction rate constants are provided to facilitate Claus process simulations to find conditions suitable for BTX oxidation. © 2015 American Chemical Society.

  13. GPU based numerical simulation of core shooting process

    Yi-zhong Zhang

    2017-11-01

    Full Text Available Core shooting process is the most widely used technique to make sand cores and it plays an important role in the quality of sand cores. Although numerical simulation can hopefully optimize the core shooting process, research on numerical simulation of the core shooting process is very limited. Based on a two-fluid model (TFM and a kinetic-friction constitutive correlation, a program for 3D numerical simulation of the core shooting process has been developed and achieved good agreements with in-situ experiments. To match the needs of engineering applications, a graphics processing unit (GPU has also been used to improve the calculation efficiency. The parallel algorithm based on the Compute Unified Device Architecture (CUDA platform can significantly decrease computing time by multi-threaded GPU. In this work, the program accelerated by CUDA parallelization method was developed and the accuracy of the calculations was ensured by comparing with in-situ experimental results photographed by a high-speed camera. The design and optimization of the parallel algorithm were discussed. The simulation result of a sand core test-piece indicated the improvement of the calculation efficiency by GPU. The developed program has also been validated by in-situ experiments with a transparent core-box, a high-speed camera, and a pressure measuring system. The computing time of the parallel program was reduced by nearly 95% while the simulation result was still quite consistent with experimental data. The GPU parallelization method can successfully solve the problem of low computational efficiency of the 3D sand shooting simulation program, and thus the developed GPU program is appropriate for engineering applications.

  14. Simulation analysis of resource flexibility on healthcare processes.

    Simwita, Yusta W; Helgheim, Berit I

    2016-01-01

    This paper uses discrete event simulation to explore the best resource flexibility scenario and examine the effect of implementing resource flexibility on different stages of patient treatment process. Specifically we investigate the effect of resource flexibility on patient waiting time and throughput in an orthopedic care process. We further seek to explore on how implementation of resource flexibility on patient treatment processes affects patient access to healthcare services. We focus on two resources, namely, orthopedic surgeon and operating room. The observational approach was used to collect process data. The developed model was validated by comparing the simulation output with actual patient data collected from the studied orthopedic care process. We developed different scenarios to identify the best resource flexibility scenario and explore the effect of resource flexibility on patient waiting time, throughput, and future changes in demand. The developed scenarios focused on creating flexibility on service capacity of this care process by altering the amount of additional human resource capacity at different stages of patient care process and extending the use of operating room capacity. The study found that resource flexibility can improve responsiveness to patient demand in the treatment process. Testing different scenarios showed that the introduction of resource flexibility reduces patient waiting time and improves throughput. The simulation results show that patient access to health services can be improved by implementing resource flexibility at different stages of the patient treatment process. This study contributes to the current health care literature by explaining how implementing resource flexibility at different stages of patient care processes can improve ability to respond to increasing patients demands. This study was limited to a single patient process; studies focusing on additional processes are recommended.

  15. Steel billet reheat simulation with growth of oxide layer and investigation on zone temperature sensitivity

    Dubey, Satish Kumar; Srinivasan, P.

    2014-01-01

    This paper presents a three-dimensional heat conduction numerical model and simulation of steel billet reheating in a reheat furnace. The model considers the growth of oxide scale on the billet surfaces. Control-volume approach and implicit scheme of finite difference method are used to discretize the transient heat conduction equation. The model is validated with analytical results subject to limited conditions. Simulations are carried out for predictions of three-dimensional temperature filed in the billet and oxide scale growth on the billet surfaces. The model predictions are in agreement with expected trends. It was found that the effect of oxide scale on billet heating is considerable. In order to investigate the effect of zone temperatures on the responses, a parametric sensitivity subject to six responses of interest are carried out using analysis of mean approach. The simulation approach and parametric study presented will be useful and applicable to the steel industry.

  16. Modelling of chalcopyrite oxidation reactions in the Outokumpu flash smelting process

    Ahokainen, T.; Jokilaakso, A. [Helsinki Univ. of Technology, Otaniemi (Finland)

    1996-12-31

    A mathematical model for simulating oxidation reactions of chalcopyrite particles together with momentum, heat and mass transfer between particle and gas phase in a flash smelting furnace reaction shaft is presented. In simulation, the equations governing the gas flow are solved numerically with a commercial fluid flow package, Phoenics. The particle phase is introduced into the gas flow by a Particle Source In Cell (PSIC) - technique, where a number of discrete particles is tracked in a gas flow and the relevant source terms for momentum, mass, and heat transfer are added to the gas phase equations. The gas phase equations used are elliptic in nature and the fluid turbulence is described by the (k-{epsilon}) -model. Thermal gas phase radiation is simulated with a six-flux radiation model. The chemical reactions of concentrate particles are assumed to happen at two sharp interfaces, and a shrinking core model is applied to describe the mass transfer of chemical species through the reaction product layer. In a molten state, the oxygen consumption is controlled by a film penetration concept. The reacting concentrate particles are a mixture of chalcopyrite and silica. Also a certain amount of pure inert silica is fed to the process as flux. In the simulations the calculation domain includes the concentrate burner and a cylindrical reaction shaft of an industrial scale flash smelting furnace. Some examples about the simulations carried out by the combustion model are presented. (author)

  17. Modelling of chalcopyrite oxidation reactions in the Outokumpu flash smelting process

    Ahokainen, T; Jokilaakso, A [Helsinki Univ. of Technology, Otaniemi (Finland)

    1997-12-31

    A mathematical model for simulating oxidation reactions of chalcopyrite particles together with momentum, heat and mass transfer between particle and gas phase in a flash smelting furnace reaction shaft is presented. In simulation, the equations governing the gas flow are solved numerically with a commercial fluid flow package, Phoenics. The particle phase is introduced into the gas flow by a Particle Source In Cell (PSIC) - technique, where a number of discrete particles is tracked in a gas flow and the relevant source terms for momentum, mass, and heat transfer are added to the gas phase equations. The gas phase equations used are elliptic in nature and the fluid turbulence is described by the (k-{epsilon}) -model. Thermal gas phase radiation is simulated with a six-flux radiation model. The chemical reactions of concentrate particles are assumed to happen at two sharp interfaces, and a shrinking core model is applied to describe the mass transfer of chemical species through the reaction product layer. In a molten state, the oxygen consumption is controlled by a film penetration concept. The reacting concentrate particles are a mixture of chalcopyrite and silica. Also a certain amount of pure inert silica is fed to the process as flux. In the simulations the calculation domain includes the concentrate burner and a cylindrical reaction shaft of an industrial scale flash smelting furnace. Some examples about the simulations carried out by the combustion model are presented. (author)

  18. Performance evaluation of non-thermal plasma injection for elemental mercury oxidation in a simulated flue gas

    An, Jiutao; Shang, Kefeng; Lu, Na [Institute of Electrostatics and Special Power, Dalian University of Technology, Dalian 116024 (China); Key Laboratory of Industrial Ecology and Environmental Engineering, Ministry of Education of the People' s Republic of China, Dalian 116024 (China); Jiang, Yuze [Shandong Electric Power Research Institute, Jinan 250002 (China); Wang, Tiecheng [Institute of Electrostatics and Special Power, Dalian University of Technology, Dalian 116024 (China); Key Laboratory of Industrial Ecology and Environmental Engineering, Ministry of Education of the People' s Republic of China, Dalian 116024 (China); Li, Jie, E-mail: lijie@dlut.edu.cn [Institute of Electrostatics and Special Power, Dalian University of Technology, Dalian 116024 (China); Key Laboratory of Industrial Ecology and Environmental Engineering, Ministry of Education of the People' s Republic of China, Dalian 116024 (China); Wu, Yan [Institute of Electrostatics and Special Power, Dalian University of Technology, Dalian 116024 (China); Key Laboratory of Industrial Ecology and Environmental Engineering, Ministry of Education of the People' s Republic of China, Dalian 116024 (China)

    2014-03-01

    Graphical abstract: - Highlights: • The use of non-thermal plasma injection approach to oxidize Hg{sup 0} in simulated flue gas at 110 °C was studied. • A high Hg{sup 0} oxidation efficiency was observed in the mixed flue gas that included O{sub 2}, H{sub 2}O, SO{sub 2}, NO and HCl. • Chemical and physical processes (e.g., ozone, N{sub 2} metastable states and UV-light) contributed to Hg{sup 0} oxidation. • Mercury species mainly existed in the form of HgO(s) adhering to the suspended aerosols in the gas-phase. - Abstract: The use of non-thermal plasma (NTP) injection approach to oxidize elemental mercury (Hg{sup 0}) in simulated flue gas at 110 °C was studied, where a surface discharge plasma reactor (SDPR) inserted in the simulated flue duct was used to generate and inject active species into the flue gas. Approximately 81% of the Hg{sup 0} was oxidized and 20.5 μg kJ{sup −1} of energy yield was obtained at a rate of 3.9 J L{sup −1}. A maximal Hg{sup 0} oxidation efficiency was found with a change in the NTP injection air flow rate. A high Hg{sup 0} oxidation efficiency was observed in the mixed flue gas that included O{sub 2}, H{sub 2}O, SO{sub 2}, NO and HCl. Chemical and physical processes (e.g., ozone, N{sub 2} metastable states and UV-light) were found to contribute to Hg{sup 0} oxidation, with ozone playing a dominant role. The deposited mercury species on the internal surface of the flue duct was analyzed using X-ray photoelectron spectroscopy (XPS) and electronic probe microanalysis (EPMA), and the deposit was identified as HgO. The mercury species is thought to primarily exist in the form of HgO(s) by adhering to the suspended aerosols in the gas-phase.

  19. Processing biobased polymers using plasticizers: Numerical simulations versus experiments

    Desplentere, Frederik; Cardon, Ludwig; Six, Wim; Erkoç, Mustafa

    2016-03-01

    In polymer processing, the use of biobased products shows lots of possibilities. Considering biobased materials, biodegradability is in most cases the most important issue. Next to this, bio based materials aimed at durable applications, are gaining interest. Within this research, the influence of plasticizers on the processing of the bio based material is investigated. This work is done for an extrusion grade of PLA, Natureworks PLA 2003D. Extrusion through a slit die equipped with pressure sensors is used to compare the experimental pressure values to numerical simulation results. Additional experimental data (temperature and pressure data along the extrusion screw and die are recorded) is generated on a dr. Collin Lab extruder producing a 25mm diameter tube. All these experimental data is used to indicate the appropriate functioning of the numerical simulation tool Virtual Extrusion Laboratory 6.7 for the simulation of both the industrial available extrusion grade PLA and the compound in which 15% of plasticizer is added. Adding the applied plasticizer, resulted in a 40% lower pressure drop over the extrusion die. The combination of different experiments allowed to fit the numerical simulation results closely to the experimental values. Based on this experience, it is shown that numerical simulations also can be used for modified bio based materials if appropriate material and process data are taken into account.

  20. Crystallization process and magnetic properties of amorphous iron oxide nanoparticles

    Phu, N D; Luong, N H; Chau, N; Hai, N H; Ngo, D T; Hoang, L H

    2011-01-01

    This paper studied the crystallization process, phase transition and magnetic properties of amorphous iron oxide nanoparticles prepared by the microwave heating technique. Thermal analysis and magnetodynamics studies revealed many interesting aspects of the amorphous iron oxide nanoparticles. The as-prepared sample was amorphous. Crystallization of the maghemite γ-Fe 2 O 3 (with an activation energy of 0.71 eV) and the hematite α-Fe 2 O 3 (with an activation energy of 0.97 eV) phase occurred at around 300 deg. C and 350 deg. C, respectively. A transition from the maghemite to the hematite occurred at 500 deg. C with an activation energy of 1.32 eV. A study of the temperature dependence of magnetization supported the crystallization and the phase transformation. Raman shift at 660 cm -1 and absorption band in the infrared spectra at 690 cm -1 showed the presence of disorder in the hematite phase on the nanoscale which is supposed to be the origin of the ferromagnetic behaviour of that antiferromagnetic phase.

  1. Simulation of mould filling process for composite skeleton castings

    M. Dziuba

    2008-04-01

    Full Text Available In this work authors showed selected results of simulation and experimental studies on temperature distribution during solidification of skeleton casting and mould filling process. The aim of conducted simulations was the choice of thermal and geometrical parameters for the needs of designed calculations of the skeleton castings and the estimation of the guidelines for the technology of manufacturing. The subject of numerical simulation was the analysis of ability of filling the channels of core by liquid metal at estability technological parameters.. Below the assumptions and results of the initial simulated calculations are presented. The total number of the nodes in the casting was 1920 and of the connectors was 5280 what gave filling of 100% for the nodes and 99,56% for the connectors in the results of the simulation. Together it resulted as 99,78 % of filling the volume of the casting. The nodes and connectors were filled up to the 30 level of the casting in the simulation. The all connectors were filled up to the 25 level of the casting in the simulation. Starting from the 25 level individual connectors at the side surface of the casting weren’t filled up. The connectors weren’t supplied by multi-level getting system. The differences of filling the levels are little (maximally 5 per cent.

  2. The influence of Ac parameters in the process of micro-arc oxidation film electric breakdown

    Ma Jin

    2016-01-01

    Full Text Available This paper studies the electric breakdown discharge process of micro-arc oxidation film on the surface of aluminum alloy. Based on the analysis of the AC parameters variation in the micro-arc oxidation process, the following conclusions can be drawn: The growth of oxide film can be divided into three stages, and Oxide film breakdown discharge occurs twice in the micro-arc oxidation process. The first stage is the formation and disruptive discharge of amorphous oxide film, producing the ceramic oxide granules, which belong to solid dielectric breakdown. In this stage the membrane voltage of the oxide film plays a key role; the second stage is the formation of ceramic oxide film, the ceramic oxide granules turns into porous structure oxide film in this stage; the third stage is the growth of ceramic oxide film, the gas film that forms in the oxide film’s porous structure is electric broken-down, which is the second breakdown discharge process, the current density on the oxide film surface could affect the breakdown process significantly.

  3. Best practice strategies for validation of micro moulding process simulation

    Costa, Franco; Tosello, Guido; Whiteside, Ben

    2009-01-01

    The use of simulation for injection moulding design is a powerful tool which can be used up-front to avoid costly tooling modifications and reduce the number of mould trials. However, the accuracy of the simulation results depends on many component technologies and information, some of which can...... be easily controlled or known by the simulation analyst and others which are not easily known. For this reason, experimental validation studies are an important tool for establishing best practice methodologies for use during analysis set up on all future design projects. During the validation studies......, detailed information about the moulding process is gathered and used to establish these methodologies. Whereas in routine design projects, these methodologies are then relied on to provide efficient but reliable working practices. Data analysis and simulations on preliminary micro-moulding experiments have...

  4. Process simulation of heavy water plants - a powerful analytical tool

    Miller, A.I.

    1978-10-01

    The commercially conscious designs of Canadian GS (Girdler-Sulphide) have proved sensitive to process conditions. That, combined with the large scale of our units, has meant that computer simulation of their behaviour has been a natural and profitable development. Atomic Energy of Canada Limited has developed a family of steady state simulations to describe all of the Canadian plants. Modelling of plant conditions has demonstrated that the simulation description is very precise and it has become an integral part of the industry's assessments of both plant operation and decisions on capital expenditures. The simulation technique has also found extensive use in detailed designing of both the rehabilitated Glace Bay and the new La Prade plants. It has opened new insights into plant design and uncovered a radical and significant flowsheet change for future designs as well as many less dramatic but valuable lesser changes. (author)

  5. Rationalization of foundry processes on the basis of simulation experiment

    S. Kukla

    2008-10-01

    Full Text Available The paper presents results of research obtained on the basis of simulation experiment, whose aim was to analyze the performance of cast iron foundry. A simulation model of automobile industry foundry was made. The course of the following processes was analyzedin a computer model: preparation of liquid cast iron, forming and filling the moulds, cooling and stamping the castings, cleaning andfinishing treatment. The sheets of multi-criterion evaluation were prepared, where criteria and variants were assessed by meansof subjective point evaluation and fuzzy character evaluation. The paper presents an analysis example of finishing activities of castings realized in foundry on traditional machines and efficient presses and in cooperation. On the basis of reports from a simulation experiment information was achieved related to activities’ duration, load of accessible resources, the problems of storage and transport, bottle necks in the system and appearing queues in from of workplaces. The research used a universal modelling and simulation packet for productionsystems - ARENA.

  6. Direct oxidation of strong waste waters, simulating combined wastes in extended-mission space cabins

    Ross, L. W.

    1973-01-01

    The applications of modern technology to the resolution of the problem of solid wastes in space cabin environments was studied with emphasis on the exploration of operating conditions that would permit lowering of process temperatures in wet oxidation of combined human wastes. It was found that the ultimate degree of degradation is not enhanced by use of a catalyst. However, the rate of oxidation is increased, and the temperature of oxidation is reduced to 400 F.

  7. Reactor modeling and process analysis for partial oxidation of natural gas

    Albrecht, B.A.

    2004-01-01

    This thesis analyses a novel process of partial oxidation of natural gas and develops a numerical tool for the partial oxidation reactor modeling. The proposed process generates syngas in an integrated plant of a partial oxidation reactor, a syngas turbine and an air separation unit. This is called

  8. Oxide nano-rod array structure via a simple metallurgical process

    Nanko, M; Do, D T M

    2011-01-01

    A simple method for fabricating oxide nano-rod array structure via metallurgical process is reported. Some dilute alloys such as Ni(Al) solid solution shows internal oxidation with rod-like oxide precipices during high-temperature oxidation with low oxygen partial pressure. By removing a metal part in internal oxidation zone, oxide nano-rod array structure can be developed on the surface of metallic components. In this report, Al 2 O 3 or NiAl 2 O 4 nano-rod array structures were prepared by using Ni(Al) solid solution. Effects of Cr addition into Ni(Al) solid solution on internal oxidation were also reported. Pack cementation process for aluminizing of Ni surface was applied to prepare nano-rod array components with desired shape. Near-net shape Ni components with oxide nano-rod array structure on their surface can be prepared by using the pack cementation process and internal oxidation,

  9. Model for Simulating a Spiral Software-Development Process

    Mizell, Carolyn; Curley, Charles; Nayak, Umanath

    2010-01-01

    A discrete-event simulation model, and a computer program that implements the model, have been developed as means of analyzing a spiral software-development process. This model can be tailored to specific development environments for use by software project managers in making quantitative cases for deciding among different software-development processes, courses of action, and cost estimates. A spiral process can be contrasted with a waterfall process, which is a traditional process that consists of a sequence of activities that include analysis of requirements, design, coding, testing, and support. A spiral process is an iterative process that can be regarded as a repeating modified waterfall process. Each iteration includes assessment of risk, analysis of requirements, design, coding, testing, delivery, and evaluation. A key difference between a spiral and a waterfall process is that a spiral process can accommodate changes in requirements at each iteration, whereas in a waterfall process, requirements are considered to be fixed from the beginning and, therefore, a waterfall process is not flexible enough for some projects, especially those in which requirements are not known at the beginning or may change during development. For a given project, a spiral process may cost more and take more time than does a waterfall process, but may better satisfy a customer's expectations and needs. Models for simulating various waterfall processes have been developed previously, but until now, there have been no models for simulating spiral processes. The present spiral-process-simulating model and the software that implements it were developed by extending a discrete-event simulation process model of the IEEE 12207 Software Development Process, which was built using commercially available software known as the Process Analysis Tradeoff Tool (PATT). Typical inputs to PATT models include industry-average values of product size (expressed as number of lines of code

  10. Automating the simulator testing and data collection process

    Magi, T.; Dimitri-Hakim, R. [L-3 Communications MAPPS Inc., Montreal, Quebec (Canada)

    2012-07-01

    Scenario-based training is a key process in the use of Full Scope Simulators (FSS) for operator training. Scenario-based training can be defined as any set of simulated plant operations performed with a specific training objective in mind. In order to meet this training objective, the ANSI/ANS-3.5-2009 standard requires that certain simulator training scenarios be tested to ensure that they reproduce the expected plant responses, that all plant procedures can be followed, and that scenario-based training objectives can be met. While malfunction testing provided a narrow view of the simulator performance revolving around the malfunction itself, scenario testing provides a broader, overall view. The concept of instructor validation of simulator scenarios to be used for training and evaluation, and oversight of simulator performance during the validation process, work hand-in-hand. This is where Scenario-Based Testing comes into play. With the description of Scenario-Based Testing (SBT) within Nuclear Energy Institute NEI 09-09 white paper and within the ANSI/ANS-3.5-2009 standard, the industry now has a way forward that reduces the regulatory uncertainty. Together, scenario-based testing and scenario-based training combine to produce better simulators which in turn can be used to more effectively and efficiently train new and existing power plant operators. However, they also impose a significant data gathering and analysis burden on FSS users. L-3 MAPPS Orchid Instructor Station (Orchid IS) facilitates this data gathering and analysis by providing features that automate this process with a simple, centralized, easy to use interface. (author)

  11. Numerical simulation of plasma processes driven by transverse ion heating

    Singh, Nagendra; Chan, C. B.

    1993-01-01

    The plasma processes driven by transverse ion heating in a diverging flux tube are investigated with numerical simulation. The heating is found to drive a host of plasma processes, in addition to the well-known phenomenon of ion conics. The downward electric field near the reverse shock generates a doublestreaming situation consisting of two upflowing ion populations with different average flow velocities. The electric field in the reverse shock region is modulated by the ion-ion instability driven by the multistreaming ions. The oscillating fields in this region have the possibility of heating electrons. These results from the simulations are compared with results from a previous study based on a hydrodynamical model. Effects of spatial resolutions provided by simulations on the evolution of the plasma are discussed.

  12. Design and simulation for real-time distributed processing systems

    Legrand, I.C.; Gellrich, A.; Gensah, U.; Leich, H.; Wegner, P.

    1996-01-01

    The aim of this work is to provide a proper framework for the simulation and the optimization of the event building, the on-line third level trigger, and complete event reconstruction processor farm for the future HERA-B experiment. A discrete event, process oriented, simulation developed in concurrent μC++ is used for modelling the farm nodes running with multi-tasking constraints and different types of switching elements and digital signal processors interconnected for distributing the data through the system. An adequate graphic interface to the simulation part which allows to monitor features on-line and to analyze trace files, provides a powerful development tool for evaluating and designing parallel processing architectures. Control software and data flow protocols for event building and dynamic processor allocation are presented for two architectural models. (author)

  13. A Structural Reliability Business Process Modelling with System Dynamics Simulation

    Lam, C. Y.; Chan, S. L.; Ip, W. H.

    2010-01-01

    Business activity flow analysis enables organizations to manage structured business processes, and can thus help them to improve performance. The six types of business activities identified here (i.e., SOA, SEA, MEA, SPA, MSA and FIA) are correlated and interact with one another, and the decisions from any business activity form feedback loops with previous and succeeding activities, thus allowing the business process to be modelled and simulated. For instance, for any company that is eager t...

  14. Application of Computer Simulation Modeling to Medication Administration Process Redesign

    Huynh, Nathan; Snyder, Rita; Vidal, Jose M.; Tavakoli, Abbas S.; Cai, Bo

    2012-01-01

    The medication administration process (MAP) is one of the most high-risk processes in health care. MAP workflow redesign can precipitate both unanticipated and unintended consequences that can lead to new medication safety risks and workflow inefficiencies. Thus, it is necessary to have a tool to evaluate the impact of redesign approaches in advance of their clinical implementation. This paper discusses the development of an agent-based MAP computer simulation model that can be used to assess...

  15. UOE Pipe Manufacturing Process Simulation: Equipment Designing and Construction

    Delistoian, Dmitri; Chirchor, Mihael

    2017-12-01

    UOE pipe manufacturing process influence directly on pipeline resilience and operation capacity. At present most spreaded pipe manufacturing method is UOE. This method is based on cold forming. After each technological step appears a certain stress and strain level. For pipe stress strain study is designed and constructed special equipment that simulate entire technological process.UOE pipe equipment is dedicated for manufacturing of longitudinally submerged arc welded DN 400 (16 inch) steel pipe.

  16. Simplified modeling of simultaneous reaction kinetics of carbon oxidation and nitrification in biofilm processes

    Tsuneda, S.; Auresenia, J.; Hibiya, K.; Hirata, A. [Waseda University, Department of Chemical Engineering, 3-4-1 Ohkubo, Shinjuku-ku, Tokyo 169-8555 (Japan)

    2004-06-01

    Batch experiments with varying initial substrate concentrations and biomass volumes were performed in a three-phase fluidized bed biofilm reactor treating simulated domestic wastewater to study the simultaneous carbon oxidation and nitrification in the biofilm process. A simplified mass balance equation for the biofilm was proposed and five different kinetic rate equations were used to match the actual data. The kinetic parameters were obtained by nonlinear regression analysis on a set of two differential equations representing the simultaneous carbon oxidation and nitrification. The competitive inhibition model incorporating the effects of total organic carbon (TOC) concentrations on nitrification rates was the best-suited model based on the average r{sup 2}. In this model, oxygen concentration and its affinity constants were not included. Instead, it was assumed that the rate of carbon oxidation is independent of the NH{sub 4}{sup +}-N, while nitrification is affected by TOC. The number of parameters was successfully minimized without reducing its ability to accurately predict the bulk concentration time course, which would reduce computational complexity and possibly enhance the availability for an actual wastewater treatment process. (Abstract Copyright [2004], Wiley Periodicals, Inc.)

  17. Use of advanced oxidation processes for removal of micropollutants

    Madsen, Henrik Tækker; Søgaard, Erik Gydesen

    photocatalysis when illuminated with UV light, and it may furthermore be arranged so the photocatalyst is immobilized on the UV quartz tubes by coating, which removes the need for a constant addition and subsequent removal of TiO2 to the system. The effect of the current system, and the TiO2 modified system...... was investigated by degradation of the synthetic estrogen 17α-ethinylestradiol (EE2). EE2 was used as the model compound since it is a very potent endocrine disruptor that has been found to have endocrine effects on fish at ppt levels. Also, the disinfection capability with photocatalysis was investigated...... of the microorganisms, photocatalysis works by oxidizing the cell membrane for microorganism adsorbed to the coated surface, which is a more inefficient process per mole UV light....

  18. Microfiltration of thin stillage: Process simulation and economic analyses

    In plant scale operations, multistage membrane systems have been adopted for cost minimization. We considered design optimization and operation of a continuous microfiltration (MF) system for the corn dry grind process. The objectives were to develop a model to simulate a multistage MF system, optim...

  19. DYSIM - A Modular Simulation System for Continuous Dynamic Processes

    Christensen, P. la Cour; Kofoed, J. E.; Larsen, N.

    1986-01-01

    The report describes a revised version of a simulation system for continuous processes, DYSIM. In relation to the previous version, which was developed in 1981, the main changes are conversion to Fortran 77 and introduction of a modular structure. The latter feature gives the user a possibility...

  20. Modeling and computational simulation of the osmotic evaporation process

    Freddy Forero Longas

    2016-09-01

    Conclusions: It was found that for the conditions studied the Knudsen diffusion model is most suitable to describe the transfer of water vapor through the hydrophobic membrane. Simulations developed adequately describe the process of osmotic evaporation, becoming a tool for faster economic development of this technology.

  1. Simulation modeling of quality assurance processes in an industrial plant

    Gumerov Anwar Vazykhovich

    2013-11-01

    Full Text Available Quality management and the need for continuous improvement requires the development of methods of analysis and diagnostic parameters. The use of simulation techniques and statistical quality control methods will provide the basis for process control of industrial enterprises.

  2. A nanogravimmetric investigation of the charging processes on ruthenium oxide thin films and their effect on methanol oxidation

    Santos, M.C.; Cogo, L.; Tanimoto, S.T.; Calegaro, M.L.; Bulhoes, L.O.S

    2006-01-01

    The charging processes and methanol oxidation that occur during the oxidation-reduction cycles in a ruthenium oxide thin film electrode (deposited by the sol-gel method on Pt covered quartz crystals) were investigated by using cyclic voltammetry, chronoamperometry and electrochemical quartz crystal nanobalance techniques. The ruthenium oxide rutile phase structure was determined by X-ray diffraction analysis. The results obtained during the charging of rutile ruthenium oxide films indicate that in the anodic sweep the transition from Ru(II) to Ru(VI) occurs followed by proton de-intercalation. In the cathodic sweep, electron injection occurs followed by proton intercalation, leading to Ru(II). The proton intercalation/de-intercalation processes can be inferred from the mass/charge relationship which gives a slope close to 1 g mol -1 (multiplied by the Faraday constant) corresponding to the molar mass of hydrogen. From the chronoamperometric measurements, charge and mass saturation of the RuO 2 thin films was observed (440 ng cm -2 ) during the charging processes, which is related to the total number of active sites in these films. Using the electrochemical quartz crystal nanobalance technique to study the methanol oxidation reaction at these films was possible to demonstrate that bulk oxidation occurs without the formation of strongly adsorbed intermediates such as CO ads , demonstrating that Pt electrodes modified by ruthenium oxide particles can be promising catalysts for the methanol oxidation as already shown in the literature

  3. Catalytic Activity and Deactivation of SO2 Oxidation Catalysts in Simulated Power Plant Flue Gases

    Masters, Stephen G.; Chrissanthopoulos, Asthanassios; Eriksen, Kim Michael

    1997-01-01

    The catalyst deactivation and the simultaneious formation of compounds in commercial SO2 oxidation catalysts have been studied by combined activity measurements and in situ EPR spectroscopy in the temperature range 350-480 C in wet and dry simulated power plant flue gas.......The catalyst deactivation and the simultaneious formation of compounds in commercial SO2 oxidation catalysts have been studied by combined activity measurements and in situ EPR spectroscopy in the temperature range 350-480 C in wet and dry simulated power plant flue gas....

  4. The electronic and optical properties of warm dense nitrous oxide using quantum molecular dynamics simulations

    Zhang Yujuan; Wang Cong; Zhang Ping

    2012-01-01

    First-principles molecular-dynamics simulations based on density-functional theory have been used to study the electronic and optical properties of fluid nitrous oxide under extreme conditions. Systematic descriptions of pair-correlation function, atomic structure, and the charge density distribution are used to investigate the dissociation of fluid nitrous oxide. The electrical and optical properties are derived from the Kubo-Greenwood formula. It is found that the nonmetal-metal transition for fluid nitrous oxide can be directly associated to the dissociation and has significant influence on the optical properties of the fluid.

  5. A finite element simulation of biological conversion processes in landfills.

    Robeck, M; Ricken, T; Widmann, R

    2011-04-01

    Landfills are the most common way of waste disposal worldwide. Biological processes convert the organic material into an environmentally harmful landfill gas, which has an impact on the greenhouse effect. After the depositing of waste has been stopped, current conversion processes continue and emissions last for several decades and even up to 100years and longer. A good prediction of these processes is of high importance for landfill operators as well as for authorities, but suitable models for a realistic description of landfill processes are rather poor. In order to take the strong coupled conversion processes into account, a constitutive three-dimensional model based on the multiphase Theory of Porous Media (TPM) has been developed at the University of Duisburg-Essen. The theoretical formulations are implemented in the finite element code FEAP. With the presented calculation concept we are able to simulate the coupled processes that occur in an actual landfill. The model's theoretical background and the results of the simulations as well as the meantime successfully performed simulation of a real landfill body will be shown in the following. Copyright © 2010 Elsevier Ltd. All rights reserved.

  6. A finite element simulation of biological conversion processes in landfills

    Robeck, M.; Ricken, T.; Widmann, R.

    2011-01-01

    Landfills are the most common way of waste disposal worldwide. Biological processes convert the organic material into an environmentally harmful landfill gas, which has an impact on the greenhouse effect. After the depositing of waste has been stopped, current conversion processes continue and emissions last for several decades and even up to 100 years and longer. A good prediction of these processes is of high importance for landfill operators as well as for authorities, but suitable models for a realistic description of landfill processes are rather poor. In order to take the strong coupled conversion processes into account, a constitutive three-dimensional model based on the multiphase Theory of Porous Media (TPM) has been developed at the University of Duisburg-Essen. The theoretical formulations are implemented in the finite element code FEAP. With the presented calculation concept we are able to simulate the coupled processes that occur in an actual landfill. The model's theoretical background and the results of the simulations as well as the meantime successfully performed simulation of a real landfill body will be shown in the following.

  7. The 3rd colloquium on process simulation. Proceedings

    Jokilaakso, A. [ed.

    1996-12-31

    The presentations collected in this volume were presented at the 3rd Colloquium on Process Simulation held at Helsinki University of Technology, Espoo, Finland, June 12-14, 1996. In the more developed industrial nations, the processes for producing chemicals, energy, and materials encounter environmental concern and laws which challenge engineers to develop the processes towards more efficient, economical and safe operation. This necessitates more thorough understanding of the processes and phenomena involved. Formerly, the development of the processes was largely based on trial and error, whereas today, the development of computer performance together with the diversification of modelling software enables simulation of the processes. The increased capacity and possibilities for modelling the processes brought by the improved hardware and software, have generated a strong demand for more accurate mathematical descriptions of the processes. Especially, the coupling of computational fluid dynamics and chemical kinetics, combustion, and thermodynamics is of current interest in process oriented technology. This colloquium attempts to give examples of modelling efforts in operation in different universities, research institutes and companies. Furthermore, the aim of this colloquium is to offer an annual opportunity to the researchers to come together and discuss their common problems and the state of their investigations

  8. The 4th international colloquium on process simulation. Proceedings

    Jokilaakso, A [Helsinki Univ. of Technology, Otaniemi (Finland). Dept. of Materials Science and Metallurgy

    1998-12-31

    The papers collected in this volume were presented at the 4th Colloquium on Process Simulation held at Helsinki University of Technology, Espoo, Finland, June 11-13, 1997. In the more developed industrial nations, the processes for producing chemicals, energy, and materials encounter environmental concern and laws which challenge engineers to develop the processes towards more efficient, economical and safe operation. This necessitates more thorough understanding of the processes and phenomena involved. Formerly, the development of the processes was largely based on trial and error, whereas today, the development of computer performance together with the diversification of modelling software enables simulation of the processes. The increased capacity and possibilities for modelling the processes brought by the improved hardware and software, have generated a strong demand for more accurate mathematical descriptions of the processes. Especially, the coupling of computational fluid dynamics and chemical kinetics, combustion, and thermodynamics is of current interest in process oriented technology. This colloquium attempts to give examples of modelling efforts in operation in different universities, research institutes and companies. Furthermore, the aim of this colloquium is to offer an annual opportunity to the researchers to come together and discuss their common problems and the state of their investigations

  9. The 3rd colloquium on process simulation. Proceedings

    Jokilaakso, A [ed.

    1997-12-31

    The presentations collected in this volume were presented at the 3rd Colloquium on Process Simulation held at Helsinki University of Technology, Espoo, Finland, June 12-14, 1996. In the more developed industrial nations, the processes for producing chemicals, energy, and materials encounter environmental concern and laws which challenge engineers to develop the processes towards more efficient, economical and safe operation. This necessitates more thorough understanding of the processes and phenomena involved. Formerly, the development of the processes was largely based on trial and error, whereas today, the development of computer performance together with the diversification of modelling software enables simulation of the processes. The increased capacity and possibilities for modelling the processes brought by the improved hardware and software, have generated a strong demand for more accurate mathematical descriptions of the processes. Especially, the coupling of computational fluid dynamics and chemical kinetics, combustion, and thermodynamics is of current interest in process oriented technology. This colloquium attempts to give examples of modelling efforts in operation in different universities, research institutes and companies. Furthermore, the aim of this colloquium is to offer an annual opportunity to the researchers to come together and discuss their common problems and the state of their investigations

  10. The 4th international colloquium on process simulation. Proceedings

    Jokilaakso, A. [Helsinki Univ. of Technology, Otaniemi (Finland). Dept. of Materials Science and Metallurgy

    1997-12-31

    The papers collected in this volume were presented at the 4th Colloquium on Process Simulation held at Helsinki University of Technology, Espoo, Finland, June 11-13, 1997. In the more developed industrial nations, the processes for producing chemicals, energy, and materials encounter environmental concern and laws which challenge engineers to develop the processes towards more efficient, economical and safe operation. This necessitates more thorough understanding of the processes and phenomena involved. Formerly, the development of the processes was largely based on trial and error, whereas today, the development of computer performance together with the diversification of modelling software enables simulation of the processes. The increased capacity and possibilities for modelling the processes brought by the improved hardware and software, have generated a strong demand for more accurate mathematical descriptions of the processes. Especially, the coupling of computational fluid dynamics and chemical kinetics, combustion, and thermodynamics is of current interest in process oriented technology. This colloquium attempts to give examples of modelling efforts in operation in different universities, research institutes and companies. Furthermore, the aim of this colloquium is to offer an annual opportunity to the researchers to come together and discuss their common problems and the state of their investigations

  11. Volcano Relation for the Deacon Process over Transition-Metal Oxides

    Studt, Felix; Abild-Pedersen, Frank; Hansen, Heine Anton

    2010-01-01

    We establish an activity relation for the heterogeneous catalytic oxidation of HCI (the Deacon Process) over rutile transition-metal oxide catalysts by combining density functional theory calculations (DFT) with microkinetic modeling. Linear energy relations for the elementary reaction steps...

  12. Computer simulation of the off gas treatment process for the KEPCO pilot vitrification plant

    Kim, Hey Suk; Maeng, Sung Jun; Lee, Myung Chan

    1999-01-01

    Vitrification technology for treatment of low and intermediate radioactive wastes can remarkably reduce waste volume to about one twentieth of the initial volume as they are collected and converted into a very stable form. Therefore, it can minimize environmental impact when the vitrified waste is disposed of. But an off gas treatment system is necessary to apply this technology because air pollutants and radioisotopes are generated like those of other conventional incinerators during thermal oxidation process at high temperature. KEPCO designed and installed a pilot scale vitrification plant to demonstrate the feasibility of the vitrification process and then to make a conceptual design for a commercial vitrification facility. The purpose of this study was to simulate the off gas treatment system(OGTS) in order optimize the operating conditions. Mass balance and temperature profile in the off gas treatment system were simulated for different combinations of combustible wastes by computer simulation code named OGTS code and removal efficiency of each process was also calculated with change of design parameters. The OGTS code saved efforts,time and capital because scale and configuration of the system could be easily changed. The simulation result of the pilot scale off gas process as well as pilot tests will be of great use in the future for a design of the commercial vitrification facility. (author)

  13. Generic process for preparing a crystalline oxide upon a group IV semiconductor substrate

    McKee, Rodney A.; Walker, Frederick J.; Chisholm, Matthew F.

    2000-01-01

    A process for growing a crystalline oxide epitaxially upon the surface of a Group IV semiconductor, as well as a structure constructed by the process, is described. The semiconductor can be germanium or silicon, and the crystalline oxide can generally be represented by the formula (AO).sub.n (A'BO.sub.3).sub.m in which "n" and "m" are non-negative integer repeats of planes of the alkaline earth oxides or the alkaline earth-containing perovskite oxides. With atomic level control of interfacial thermodynamics in a multicomponent semiconductor/oxide system, a highly perfect interface between a semiconductor and a crystalline oxide can be obtained.

  14. Improving operational anodising process performance using simulation approach

    Liong, Choong-Yeun; Ghazali, Syarah Syahidah

    2015-01-01

    The use of aluminium is very widespread, especially in transportation, electrical and electronics, architectural, automotive and engineering applications sectors. Therefore, the anodizing process is an important process for aluminium in order to make the aluminium durable, attractive and weather resistant. This research is focused on the anodizing process operations in manufacturing and supplying of aluminium extrusion. The data required for the development of the model is collected from the observations and interviews conducted in the study. To study the current system, the processes involved in the anodizing process are modeled by using Arena 14.5 simulation software. Those processes consist of five main processes, namely the degreasing process, the etching process, the desmut process, the anodizing process, the sealing process and 16 other processes. The results obtained were analyzed to identify the problems or bottlenecks that occurred and to propose improvement methods that can be implemented on the original model. Based on the comparisons that have been done between the improvement methods, the productivity could be increased by reallocating the workers and reducing loading time

  15. Improving operational anodising process performance using simulation approach

    Liong, Choong-Yeun, E-mail: lg@ukm.edu.my; Ghazali, Syarah Syahidah, E-mail: syarah@gapps.kptm.edu.my [School of Mathematical Sciences, Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor DE (Malaysia)

    2015-10-22

    The use of aluminium is very widespread, especially in transportation, electrical and electronics, architectural, automotive and engineering applications sectors. Therefore, the anodizing process is an important process for aluminium in order to make the aluminium durable, attractive and weather resistant. This research is focused on the anodizing process operations in manufacturing and supplying of aluminium extrusion. The data required for the development of the model is collected from the observations and interviews conducted in the study. To study the current system, the processes involved in the anodizing process are modeled by using Arena 14.5 simulation software. Those processes consist of five main processes, namely the degreasing process, the etching process, the desmut process, the anodizing process, the sealing process and 16 other processes. The results obtained were analyzed to identify the problems or bottlenecks that occurred and to propose improvement methods that can be implemented on the original model. Based on the comparisons that have been done between the improvement methods, the productivity could be increased by reallocating the workers and reducing loading time.

  16. Improving operational anodising process performance using simulation approach

    Liong, Choong-Yeun; Ghazali, Syarah Syahidah

    2015-10-01

    The use of aluminium is very widespread, especially in transportation, electrical and electronics, architectural, automotive and engineering applications sectors. Therefore, the anodizing process is an important process for aluminium in order to make the aluminium durable, attractive and weather resistant. This research is focused on the anodizing process operations in manufacturing and supplying of aluminium extrusion. The data required for the development of the model is collected from the observations and interviews conducted in the study. To study the current system, the processes involved in the anodizing process are modeled by using Arena 14.5 simulation software. Those processes consist of five main processes, namely the degreasing process, the etching process, the desmut process, the anodizing process, the sealing process and 16 other processes. The results obtained were analyzed to identify the problems or bottlenecks that occurred and to propose improvement methods that can be implemented on the original model. Based on the comparisons that have been done between the improvement methods, the productivity could be increased by reallocating the workers and reducing loading time.

  17. Delocalized organic pollutant destruction through a self-sustaining supercritical water oxidation process

    Lavric, E.D.; Weyten, H.; Ruyck, J. de; Plesu, V.; Lavric, V.

    2005-01-01

    Supercritical water oxidation (SCWO) is a recent development aiming at the destruction of organic pollutants present with low concentrations in waste waters. The present paper focuses on the process simulation of SCWO with emphasis on the proper modelling of supercritical thermodynamic conditions and on the possibility to make the SCWO process self-sufficient from the energetic viewpoint. Self-sufficiency may be of interest to encourage more delocalization of waste water treatment. The process of SCWO for dilute waste water (no more than 5 wt.%) is modelled through the ASPEN Plus copyright process simulator. Studies were made to search for energetic self-sufficiency conditions using various technologies for power production from the heat of reaction, like supercritical water expansion in a turbine, use of a closed Brayton cycle (CBC) and use of an organic Rankine cycle (ORC). The results obtained showed that the process is energetically self-sufficient using either a small supercritical turbine, or an ORC. In less restrictive conditions regarding the component efficiencies, the CBC, in theory, also leads to self-sufficiency, but from the analysis, it appears that this solution is less realistic

  18. Oxidation-extraction of uranium from wet-process phosphoric acid

    Lawes, B.C.

    1985-01-01

    The invention involves an improvement to the reductive stripping process for recovering uranium values from wet-process phosphoric acid solution, where uranium in the solution is oxidized to uranium (VI) oxidation state and then extracted from the solution by contact with a water immiscible organic solvent, by adding sufficient oxidant, hydrogen peroxide, to obtain greater than 90 percent conversion of the uranium to the uranium (VI) oxidation state to the phosphoric acid solution and simultaneously extracting the uranium (VI)

  19. Simulated Microgravity Modulates Differentiation Processes of Embryonic Stem Cells

    Vaibhav Shinde

    2016-04-01

    Full Text Available Background/Aims: Embryonic developmental studies under microgravity conditions in space are very limited. To study the effects of altered gravity on the embryonic development processes we established an in vitro methodology allowing differentiation of mouse embryonic stem cells (mESCs under simulated microgravity within a fast-rotating clinostat (clinorotation and capture of microarray-based gene signatures. Methods: The differentiating mESCs were cultured in a 2D pipette clinostat. The microarray and bioinformatics tools were used to capture genes that are deregulated by simulated microgravity and their impact on developmental biological processes. Results: The data analysis demonstrated that differentiation of mESCs in pipettes for 3 days resultet to early germ layer differentiation and then to the different somatic cell types after further 7 days of differentiation in the Petri dishes. Clinorotation influences differentiation as well as non-differentiation related biological processes like cytoskeleton related 19 genes were modulated. Notably, simulated microgravity deregulated genes Cyr61, Thbs1, Parva, Dhrs3, Jun, Tpm1, Fzd2 and Dll1 are involved in heart morphogenesis as an acute response on day 3. If the stem cells were further cultivated under normal gravity conditions (1 g after clinorotation, the expression of cardiomyocytes specific genes such as Tnnt2, Rbp4, Tnni1, Csrp3, Nppb and Mybpc3 on day 10 was inhibited. This correlated well with a decreasing beating activity of the 10-days old embryoid bodies (EBs. Finally, we captured Gadd45g, Jun, Thbs1, Cyr61and Dll1 genes whose expressions were modulated by simulated microgravity and by real microgravity in various reported studies. Simulated microgravity also deregulated genes belonging to the MAP kinase and focal dhesion signal transduction pathways. Conclusion: One of the most prominent biological processes affected by simulated microgravity was the process of cardiomyogenesis. The

  20. Simulation of the radiography formation process from CT patient volume

    Bifulco, P; Cesarelli, M; Verso, E; Roccasalva Firenze, M; Sansone, M; Bracale, M [University of Naples, Federico II, Electronic Engineering Department, Bioengineering Unit, Via Claudio, 21 - 80125 Naples (Italy)

    1999-12-31

    The aim of this work is to develop an algorithm to simulate the radiographic image formation process using volumetric anatomical data of the patient, obtained from 3D diagnostic CT images. Many applications, including radiographic driven surgery, virtual reality in medicine and radiologist teaching and training, may take advantage of such technique. The designed algorithm has been developed to simulate a generic radiographic equipment, whatever oriented respect to the patient. The simulated radiography is obtained considering a discrete number of X-ray paths departing from the focus, passing through the patient volume and reaching the radiographic plane. To evaluate a generic pixel of the simulated radiography, the cumulative absorption along the corresponding X-ray is computed. To estimate X-ray absorption in a generic point of the patient volume, 3D interpolation of CT data has been adopted. The proposed technique is quite similar to those employed in Ray Tracing. A computer designed test volume has been used to assess the reliability of the radiography simulation algorithm as a measuring tool. From the errors analysis emerges that the accuracy achieved by the radiographic simulation algorithm is largely confined within the sampling step of the CT volume. (authors) 16 refs., 12 figs., 1 tabs.

  1. Smoldyn on graphics processing units: massively parallel Brownian dynamics simulations.

    Dematté, Lorenzo

    2012-01-01

    Space is a very important aspect in the simulation of biochemical systems; recently, the need for simulation algorithms able to cope with space is becoming more and more compelling. Complex and detailed models of biochemical systems need to deal with the movement of single molecules and particles, taking into consideration localized fluctuations, transportation phenomena, and diffusion. A common drawback of spatial models lies in their complexity: models can become very large, and their simulation could be time consuming, especially if we want to capture the systems behavior in a reliable way using stochastic methods in conjunction with a high spatial resolution. In order to deliver the promise done by systems biology to be able to understand a system as whole, we need to scale up the size of models we are able to simulate, moving from sequential to parallel simulation algorithms. In this paper, we analyze Smoldyn, a widely diffused algorithm for stochastic simulation of chemical reactions with spatial resolution and single molecule detail, and we propose an alternative, innovative implementation that exploits the parallelism of Graphics Processing Units (GPUs). The implementation executes the most computational demanding steps (computation of diffusion, unimolecular, and bimolecular reaction, as well as the most common cases of molecule-surface interaction) on the GPU, computing them in parallel on each molecule of the system. The implementation offers good speed-ups and real time, high quality graphics output

  2. Simulation of the radiography formation process from CT patient volume

    Bifulco, P.; Cesarelli, M.; Verso, E.; Roccasalva Firenze, M.; Sansone, M.; Bracale, M.

    1998-01-01

    The aim of this work is to develop an algorithm to simulate the radiographic image formation process using volumetric anatomical data of the patient, obtained from 3D diagnostic CT images. Many applications, including radiographic driven surgery, virtual reality in medicine and radiologist teaching and training, may take advantage of such technique. The designed algorithm has been developed to simulate a generic radiographic equipment, whatever oriented respect to the patient. The simulated radiography is obtained considering a discrete number of X-ray paths departing from the focus, passing through the patient volume and reaching the radiographic plane. To evaluate a generic pixel of the simulated radiography, the cumulative absorption along the corresponding X-ray is computed. To estimate X-ray absorption in a generic point of the patient volume, 3D interpolation of CT data has been adopted. The proposed technique is quite similar to those employed in Ray Tracing. A computer designed test volume has been used to assess the reliability of the radiography simulation algorithm as a measuring tool. From the errors analysis emerges that the accuracy achieved by the radiographic simulation algorithm is largely confined within the sampling step of the CT volume. (authors)

  3. Simulating the heat transfer process of horizontal anode baking furnace

    L.Q. Zhang; C.G. Zheng; M.H. Xu [Huazhong University of Science and Technology, Wuhan (China). State Key Laboratory of Coal Combustion

    2005-07-01

    A transient two-dimensional mathematical model of a horizontal baking furnace is presented. The model combines complex thermal phenomena in a baking process such as air infiltration, evolution and combustion of volatile matters, combustion of packing coke, and heat losses. The predicted results are in good agreement with measured data. Furthermore, the process is simulated under different operating conditions such as firing cycle time, airflow and air infiltration. The simulated results indicate that the fuel consumption decreases as the firing cycle time decreases. It is also found that reducing the airflow and air infiltration will help to save fuel. The model is proved to be a useful tool for the process optimisation of the baking furnace in the aluminum industry.

  4. Simulation of the proton implantation process in silicon

    Faccinelli, Martin; Hadley, Peter [Graz University of Technology, Institute of Solid State Physics (Austria); Jelinek, Moriz; Wuebben, Thomas [Infineon Technologies Austria AG, Villach (Austria); Laven, Johannes G.; Schulze, Hans-Joachim [Infineon Technologies AG, Neubiberg (Germany)

    2016-12-15

    Proton implantation is one of many processes used to ad-just the electronic and mechanical properties of silicon. Though the process has been extensively studied, it is still not clear which exact defects are formed and what their concentration profiles are. In this article, a simulation method is presented, which provides a better understanding of the implantation process. The simulation takes into account the diffusion of mobile point defects and their reactions to defect complexes, as well as the dissociation of defect complexes. Concentration profiles for a set of defect complexes after an implantation at 400 keV and a dose of 5 x 10{sup 14} H{sup +}cm{sup -2} are presented. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  5. Pyrite oxidation under simulated acid rain weathering conditions.

    Zheng, Kai; Li, Heping; Wang, Luying; Wen, Xiaoying; Liu, Qingyou

    2017-09-01

    We investigated the electrochemical corrosion behavior of pyrite in simulated acid rain with different acidities and at different temperatures. The cyclic voltammetry, polarization curve, and electrochemical impedance spectroscopy results showed that pyrite has the same electrochemical interaction mechanism under different simulated acid rain conditions, regardless of acidity or environmental temperature. Either stronger acid rain acidity or higher environmental temperature can accelerate pyrite corrosion. Compared with acid rain having a pH of 5.6 at 25 °C, the prompt efficiency of pyrite weathering reached 104.29% as the acid rain pH decreased to 3.6, and it reached 125.31% as environmental temperature increased to 45 °C. Increasing acidity dramatically decreases the charge transfer resistance, and increasing temperature dramatically decreases the passivation film resistance, when other conditions are held constant. Acid rain always causes lower acidity mine drainage, and stronger acidity or high environmental temperatures cause serious acid drainage. The natural parameters of latitude, elevation, and season have considerable influence on pyrite weathering, because temperature is an important influencing factor. These experimental results are of direct significance for the assessment and management of sulfide mineral acid drainage in regions receiving acid rain.

  6. Simulated interprofessional education: an analysis of teaching and learning processes.

    van Soeren, Mary; Devlin-Cop, Sandra; Macmillan, Kathleen; Baker, Lindsay; Egan-Lee, Eileen; Reeves, Scott

    2011-11-01

    Simulated learning activities are increasingly being used in health professions and interprofessional education (IPE). Specifically, IPE programs are frequently adopting role-play simulations as a key learning approach. Despite this widespread adoption, there is little empirical evidence exploring the teaching and learning processes embedded within this type of simulation. This exploratory study provides insight into the nature of these processes through the use of qualitative methods. A total of 152 clinicians, 101 students and 9 facilitators representing a range of health professions, participated in video-recorded role-plays and debrief sessions. Videotapes were analyzed to explore emerging issues and themes related to teaching and learning processes related to this type of interprofessional simulated learning experience. In addition, three focus groups were conducted with a subset of participants to explore perceptions of their educational experiences. Five key themes emerged from the data analysis: enthusiasm and motivation, professional role assignment, scenario realism, facilitator style and background and team facilitation. Our findings suggest that program developers need to be mindful of these five themes when using role-plays in an interprofessional context and point to the importance of deliberate and skilled facilitation in meeting desired learning outcomes.

  7. Tensoral for post-processing users and simulation authors

    Dresselhaus, Eliot

    1993-01-01

    The CTR post-processing effort aims to make turbulence simulations and data more readily and usefully available to the research and industrial communities. The Tensoral language, which provides the foundation for this effort, is introduced here in the form of a user's guide. The Tensoral user's guide is presented in two main sections. Section one acts as a general introduction and guides database users who wish to post-process simulation databases. Section two gives a brief description of how database authors and other advanced users can make simulation codes and/or the databases they generate available to the user community via Tensoral database back ends. The two-part structure of this document conforms to the two-level design structure of the Tensoral language. Tensoral has been designed to be a general computer language for performing tensor calculus and statistics on numerical data. Tensoral's generality allows it to be used for stand-alone native coding of high-level post-processing tasks (as described in section one of this guide). At the same time, Tensoral's specialization to a minute task (namely, to numerical tensor calculus and statistics) allows it to be easily embedded into applications written partly in Tensoral and partly in other computer languages (here, C and Vectoral). Embedded Tensoral, aimed at advanced users for more general coding (e.g. of efficient simulations, for interfacing with pre-existing software, for visualization, etc.), is described in section two of this guide.

  8. Numerical Simulation of Stationary AC Tungsten Inert Gas Welding of Aluminum Plate in Consideration of Oxide Layer Cleaning

    Tashiro, Shinichi; Tanaka, Manabu

    An unified numerical simulation model of AC TIG welding of the aluminum plate considering energy balance among the electrode, the arc and the base metal and employing an analytical model for calculating cleaning rate of the oxide layer has been developed for investigating heat transport properties and weld pool formation process in AC TIG welding of aluminum plate. As a result of this simulation, it was shown that although the heat flux from the arc onto the base metal increases in EN (Electrode Negative) phase due to the electron condensation, that in EP (Electrode Positive) phase conversely decreases because mainly of cooling caused by the electron emission. Furthermore, the validity of the simulation model was confirmed by comparing to experimental results such as the arc voltage, the area of cleaning zone and the shape of weld pool.

  9. Detailed dynamic solid oxide fuel cell modeling for electrochemical impedance spectra simulation

    Hofmann, Ph. [Laboratory of Steam Boilers and Thermal Plants, School of Mechanical Engineering, Thermal Engineering Section, National Technical University of Athens, Heroon Polytechniou 9, 15780 Athens (Greece); Panopoulos, K.D. [Institute for Solid Fuels Technology and Applications, Centre for Research and Technology Hellas, 4th km. Ptolemais-Mpodosakeio Hospital, Region of Kouri, P.O. Box 95, GR 502, 50200 Ptolemais (Greece)

    2010-08-15

    This paper presents a detailed flexible mathematical model for planar solid oxide fuel cells (SOFCs), which allows the simulation of steady-state performance characteristics, i.e. voltage-current density (V-j) curves, and dynamic operation behavior, with a special capability of simulating electrochemical impedance spectroscopy (EIS). The model is based on physico-chemical governing equations coupled with a detailed multi-component gas diffusion mechanism (Dusty-Gas Model (DGM)) and a multi-step heterogeneous reaction mechanism implicitly accounting for the water-gas-shift (WGS), methane reforming and Boudouard reactions. Spatial discretization can be applied for 1D (button-cell approximation) up to quasi-3D (full size anode supported cell in cross-flow configuration) geometries and is resolved with the finite difference method (FDM). The model is built and implemented on the commercially available modeling and simulations platform gPROMS trademark. Different fuels based on hydrogen, methane and syngas with inert diluents are run. The model is applied to demonstrate a detailed analysis of the SOFC inherent losses and their attribution to the EIS. This is achieved by means of a step-by-step analysis of the involved transient processes such as gas conversion in the main gas chambers/channels, gas diffusion through the porous electrodes together with the heterogeneous reactions on the nickel catalyst, and the double-layer current within the electrochemical reaction zone. The model is an important tool for analyzing SOFC performance fundamentals as well as for design and optimization of materials' and operational parameters. (author)

  10. Optimization of blanking process using neural network simulation

    Hambli, R.

    2005-01-01

    The present work describes a methodology using the finite element method and neural network simulation in order to predict the optimum punch-die clearance during sheet metal blanking processes. A damage model is used in order to describe crack initiation and propagation into the sheet. The proposed approach combines predictive finite element and neural network modeling of the leading blanking parameters. Numerical results obtained by finite element computation including damage and fracture modeling were utilized to train the developed simulation environment based on back propagation neural network modeling. The comparative study between the numerical results and the experimental ones shows the good agreement. (author)

  11. A Coordinated Initialization Process for the Distributed Space Exploration Simulation

    Crues, Edwin Z.; Phillips, Robert G.; Dexter, Dan; Hasan, David

    2007-01-01

    A viewgraph presentation on the federate initialization process for the Distributed Space Exploration Simulation (DSES) is described. The topics include: 1) Background: DSES; 2) Simulation requirements; 3) Nine Step Initialization; 4) Step 1: Create the Federation; 5) Step 2: Publish and Subscribe; 6) Step 3: Create Object Instances; 7) Step 4: Confirm All Federates Have Joined; 8) Step 5: Achieve initialize Synchronization Point; 9) Step 6: Update Object Instances With Initial Data; 10) Step 7: Wait for Object Reflections; 11) Step 8: Set Up Time Management; 12) Step 9: Achieve startup Synchronization Point; and 13) Conclusions

  12. Simulation of Stochastic Processes by Coupled ODE-PDE

    Zak, Michail

    2008-01-01

    A document discusses the emergence of randomness in solutions of coupled, fully deterministic ODE-PDE (ordinary differential equations-partial differential equations) due to failure of the Lipschitz condition as a new phenomenon. It is possible to exploit the special properties of ordinary differential equations (represented by an arbitrarily chosen, dynamical system) coupled with the corresponding Liouville equations (used to describe the evolution of initial uncertainties in terms of joint probability distribution) in order to simulate stochastic processes with the proscribed probability distributions. The important advantage of the proposed approach is that the simulation does not require a random-number generator.

  13. Preliminary comparison of three processes of AlN oxidation: dry, wet and mixed ones

    Korbutowicz R.

    2016-03-01

    Full Text Available Three methods of AlN layers oxidation: dry, wet and mixed (wet with oxygen were compared. Some physical parameters of oxidized thin films of aluminum nitride (AlN layers grown on silicon Si(1 1 1 were investigated by means Energy-Dispersive X-ray Spectroscopy (EDS and Spectroscopic Ellipsometry (SE. Three series of the thermal oxidations processes were carried out at 1012 °C in pure nitrogen as carrying gas and various gas ambients: (a dry oxidation with oxygen, (b wet oxidation with water steam and (c mixed atmosphere with various process times. All the research methods have shown that along with the rising of the oxidation time, AlN layer across the aluminum oxide nitride transforms to aluminum oxide. The mixed oxidation was a faster method than the dry or wet ones.

  14. Nitric oxide protects carbon assimilation process of watermelon from boron-induced oxidative injury.

    Farag, Mohamed; Najeeb, Ullah; Yang, Jinghua; Hu, Zhongyuan; Fang, Zhang Ming

    2017-02-01

    Nitric oxide (NO) mediates plant response to a variety of abiotic stresses; however, limited information is available on its effect on boron (B)-stressed watermelon plants. The present study investigates the mechanism through which NO protects watermelon seedlings from B deficiency and toxicity stresses. Five days old watermelon seedlings were exposed to B (0, 0.5 and 10 mg L -1 ) alone or with 75 μmole of NO donor sodium nitroprusside (SNP) for 30 days. Both low and high B concentrations in the media altered nutrient accumulation and impaired various physiological processes of watermelon seedlings, leading to a significant reduction in biomass production. The plants exposed to B deficient or toxic concentrations had 66 and 69% lower shoot dry weight, respectively compared with optimum B levels. B toxicity-induced growth inhibition of watermelon seedlings was associated with high B translocation to shoot tissues, which caused lipid membrane peroxidation (12% increase) and chlorophyll destruction (25% reduction). In contrast, B deficiency accelerated generation of reactive oxygen species (ROS), specifically OH -1 and induced cellular oxidative injury. Exogenously applied SNP promoted leaf chlorophyll, photosynthesis and consequently biomass production in B-stressed watermelon seedlings by reducing B accumulation, lipid membrane peroxidation and ROS generation. It also activated antioxidant enzymes such as SOD, POD and APX, and protected the seedlings from ROS-induced cellular burst. Copyright © 2016. Published by Elsevier Masson SAS.

  15. Corrosion of pre-oxidized nickel alloy X-750 in simulated BWR environment

    Tuzi, Silvia, E-mail: silvia.tuzi@chalmers.se [Chalmers University of Technology, SE-412 96 Göteborg (Sweden); Lai, Haiping [Chalmers University of Technology, SE-412 96 Göteborg (Sweden); Göransson, Kenneth [Westinghouse Electric Sweden AB, SE-721 63 Västerås (Sweden); Thuvander, Mattias; Stiller, Krystyna [Chalmers University of Technology, SE-412 96 Göteborg (Sweden)

    2017-04-01

    Samples of pre-oxidized Alloy X-750 were exposed to a simulated boiling water reactor environment in an autoclave at a temperature of 286 °C and a pressure of 80 bar for four weeks. The effect of alloy iron content on corrosion was investigated by comparing samples with 5 and 8 wt% Fe, respectively. In addition, the effect of two different surface pre-treatments was investigated. The microstructure of the formed oxide scales was studied using mainly electron microscopy. The results showed positive effects of an increased Fe content and of removing the deformed surface layer by pickling. After four weeks of exposure the oxide scale consists of oxides formed in three different ways. The oxide formed during pre-oxidization at 700 °C, mainly consisting of chromia, is partly still present. There is also an outer oxide consisting of NiFe{sub 2}O{sub 4} crystals, reaching a maximum size of 3 μm, which has formed by precipitation of dissolved metal ions. Finally, there is an inner nanocrystalline and porous oxide, with a metallic content reflecting the alloy composition, which has formed by corrosion.

  16. Fabrication of nickel oxide and Ni-doped indium tin oxide thin films using pyrosol process

    Nakasa, Akihiko; Adachi, Mami; Usami, Hisanao; Suzuki, Eiji; Taniguchi, Yoshio

    2006-01-01

    Organic light emitting diodes (OLEDs) need indium tin oxide (ITO) anodes with highly smooth surface. The work function of ITO, about 4.8 eV, is generally rather lower than the optimum level for application to OLEDs. In this work, NiO was deposited by pyrosol process on pyrosol ITO film to increase the work function of the ITO for improving the performance of OLEDs. It was confirmed that NiO was successfully deposited on pyrosol ITO film and the NiO deposition increased the work function of pyrosol ITO, using X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), atomic force microscopy (AFM) and atmospheric photoelectron spectroscopy. Furthermore, doping ITO with Ni succeeded in producing the Ni-doped ITO film with high work function and lower sheet resistance

  17. Simulation of Bimetallic Bush Hot Rolling Bonding Process

    Yaqin Tian

    2015-01-01

    Full Text Available Three-dimensional model of bimetallic bush was established including the drive roller and the core roller. The model adopted the appropriate interface assumptions. Based on the bonding properties of bimetallic bush the hot rolling process was analyzed. The optimum reduction ratio of 28% is obtained by using the finite element simulation software MARC on the assumption of the bonding conditions. The stress-strain distribution of three dimensions was research assumptions to interface deformation of rolling. At the same time, based on the numerical simulation, the minimum reduction ratio 20% is obtained by using a double metal composite bush rolling new technology from the experiment research. The simulation error is not more than 8%.

  18. Material model validation for laser shock peening process simulation

    Amarchinta, H K; Grandhi, R V; Langer, K; Stargel, D S

    2009-01-01

    Advanced mechanical surface enhancement techniques have been used successfully to increase the fatigue life of metallic components. These techniques impart deep compressive residual stresses into the component to counter potentially damage-inducing tensile stresses generated under service loading. Laser shock peening (LSP) is an advanced mechanical surface enhancement technique used predominantly in the aircraft industry. To reduce costs and make the technique available on a large-scale basis for industrial applications, simulation of the LSP process is required. Accurate simulation of the LSP process is a challenging task, because the process has many parameters such as laser spot size, pressure profile and material model that must be precisely determined. This work focuses on investigating the appropriate material model that could be used in simulation and design. In the LSP process material is subjected to strain rates of 10 6  s −1 , which is very high compared with conventional strain rates. The importance of an accurate material model increases because the material behaves significantly different at such high strain rates. This work investigates the effect of multiple nonlinear material models for representing the elastic–plastic behavior of materials. Elastic perfectly plastic, Johnson–Cook and Zerilli–Armstrong models are used, and the performance of each model is compared with available experimental results

  19. A causal reasoning for the simulation of continuous industrial processes

    Leyval, L.

    1991-01-01

    This report describes an on-line simulation tool to be integrated in a supervision support system for industrial continuous processes. The aim is to provide operators with the future behaviour of the process after significant modifications have been detected on some inputs or on measurable disturbances. A nuclear waste processing plant is used to illustrate the method: the process is modeled by a causal graph, whose nodes are the variables relevant for the operators, and the arcs the cause-effect relationships between them. Each of the arcs support a qualitative transfer function (QTF), parameterized by a delay, a static gain and a settling time. This model is the knowledge base used by the simulator. The evolution of a variable is represented by a piecewise linear function. The simulation algorithm aims to propagate the evolutions from a variable into another one in the graph thanks to the QTFs. It leads to the concept of event, a basic function constituted with a step and a ramp. 38 fig., 6 ref

  20. Single photon laser altimeter simulator and statistical signal processing

    Vacek, Michael; Prochazka, Ivan

    2013-05-01

    Spaceborne altimeters are common instruments onboard the deep space rendezvous spacecrafts. They provide range and topographic measurements critical in spacecraft navigation. Simultaneously, the receiver part may be utilized for Earth-to-satellite link, one way time transfer, and precise optical radiometry. The main advantage of single photon counting approach is the ability of processing signals with very low signal-to-noise ratio eliminating the need of large telescopes and high power laser source. Extremely small, rugged and compact microchip lasers can be employed. The major limiting factor, on the other hand, is the acquisition time needed to gather sufficient volume of data in repetitive measurements in order to process and evaluate the data appropriately. Statistical signal processing is adopted to detect signals with average strength much lower than one photon per measurement. A comprehensive simulator design and range signal processing algorithm are presented to identify a mission specific altimeter configuration. Typical mission scenarios (celestial body surface landing and topographical mapping) are simulated and evaluated. The high interest and promising single photon altimeter applications are low-orbit (˜10 km) and low-radial velocity (several m/s) topographical mapping (asteroids, Phobos and Deimos) and landing altimetry (˜10 km) where range evaluation repetition rates of ˜100 Hz and 0.1 m precision may be achieved. Moon landing and asteroid Itokawa topographical mapping scenario simulations are discussed in more detail.

  1. Numerical simulation of X90 UOE pipe forming process

    Zou, Tianxia; Ren, Qiang; Peng, Yinghong; Li, Dayong; Tang, Ding; Han, Jianzeng; Li, Xinwen; Wang, Xiaoxiu

    2013-12-01

    The UOE process is an important technique to manufacture large-diameter welding pipes which are increasingly applied in oil pipelines and offshore platforms. The forming process of UOE mainly consists of five successive operations: crimping, U-forming, O-forming, welding and mechanical expansion, through which a blank is formed into a pipe in a UOE pipe mill. The blank with an appropriate edge bevel is bent into a cylindrical shape by crimping (C-forming), U-forming and O-forming successively. After the O-forming, there is an open-seam between two ends of the plate. Then, the blank is welded by automatic four-electrode submerged arc welding technique. Subsequently, the welded pipe is expanded with a mechanical expander to get a high precision circular shape. The multiple operations in the UOE mill make it difficult to control the quality of the formed pipe. Therefore, process design mainly relies on experience in practical production. In this study, the UOE forming of an API X90 pipe is studied by using finite element simulation. The mechanical properties tests are performed on the API X90 pipeline steel blank. A two-dimensional finite element model under the hypothesis of plane strain condition is developed to simulate the UOE process according to data coming from the workshop. A kinematic hardening model is used in the simulation to take the Bauschinger effect into account. The deformation characteristics of the blank during the forming processes are analyzed. The simulation results show a significant coherence in the geometric configurations comparing with the practical manufacturing.

  2. Temporal nitrous oxide emissions from beef cattle feedlot manure following a simulated rainfall event

    A pilot-scale, recirculating-flow-through, non-steady-state (RFT-NSS) chamber system was designed for quantifying nitrous oxide (N2O) emissions from simulated open-lot beef cattle feedlot pens. The system employed five 1 square meter steel pans. A lid was placed systematically on each pan and heads...

  3. The Simulation of an Oxidation-Reduction Titration Curve with Computer Algebra

    Whiteley, Richard V., Jr.

    2015-01-01

    Although the simulation of an oxidation/reduction titration curve is an important exercise in an undergraduate course in quantitative analysis, that exercise is frequently simplified to accommodate computational limitations. With the use of readily available computer algebra systems, however, such curves for complicated systems can be generated…

  4. Multi-phase chemistry in process simulation - MASIT04 (VISTA)

    Brink, A.; Li Bingzhi; Hupa, M. (Aabo Akademi University, Combustion and Materials Chemistry, Turku (Finland)) (and others)

    2008-07-01

    A new generation of process models has been developed by using advanced multi-phase thermochemistry. The generality of the thermodynamic free energy concept enables use of common software tools for high and low temperature processes. Reactive multi-phase phenomena are integrated to advanced simulation procedures by using local equilibrium or constrained state free energy computation. The high-temperature applications include a process model for the heat recovery of copper flash smelting and coupled models for converter and bloom casting operations in steel-making. Wet suspension models are developed for boiler and desalination water chemistry, flash evaporation of black liquor and for selected fibre-line and paper-making processes. The simulation combines quantitative physical and chemical data from reactive flows to form their visual images, thus providing efficient tools for engineering design and industrial decision-making. Economic impacts are seen as both better process operations and improved end products. The software tools developed are internationally commercialised and being used to support Finnish process technology exports. (orig.)

  5. Modelling and simulation of process control systems for WWER

    Pangelov, N [Energoproekt, Sofia (Bulgaria)

    1996-12-31

    A dynamic modelling method for simulation of process control system is developed (method for identification). It is based on the least squares method and highly efficient linear uninterrupted differential equations. The method has the following advantages: there are no significant limitations in the type of input/output signals and in the length of data time series; identification at none zero initial condition is possible; on-line identification is possible; a high accuracy is observed in case of noise. On the basis of real experiments and data time series simulated with known computer codes it is possible to construct highly efficient models of different systems for solving the following problems: real time simulation with high accuracy for training purposes; estimation of immeasurable parameters important to safety; malfunction diagnostics based on plant dynamics; prediction of dynamic behaviour; control vector estimation in regime adviser. Two real applications of this method are described: in dynamic behaviour modelling for steam generator level, and in creating of a Process Control System Simulator (PCSS) based on KASKAD-2 for WWER-1000 units of the Kozloduy NPP. 6 refs., 8 figs.

  6. Accelerating cardiac bidomain simulations using graphics processing units.

    Neic, A; Liebmann, M; Hoetzl, E; Mitchell, L; Vigmond, E J; Haase, G; Plank, G

    2012-08-01

    Anatomically realistic and biophysically detailed multiscale computer models of the heart are playing an increasingly important role in advancing our understanding of integrated cardiac function in health and disease. Such detailed simulations, however, are computationally vastly demanding, which is a limiting factor for a wider adoption of in-silico modeling. While current trends in high-performance computing (HPC) hardware promise to alleviate this problem, exploiting the potential of such architectures remains challenging since strongly scalable algorithms are necessitated to reduce execution times. Alternatively, acceleration technologies such as graphics processing units (GPUs) are being considered. While the potential of GPUs has been demonstrated in various applications, benefits in the context of bidomain simulations where large sparse linear systems have to be solved in parallel with advanced numerical techniques are less clear. In this study, the feasibility of multi-GPU bidomain simulations is demonstrated by running strong scalability benchmarks using a state-of-the-art model of rabbit ventricles. The model is spatially discretized using the finite element methods (FEM) on fully unstructured grids. The GPU code is directly derived from a large pre-existing code, the Cardiac Arrhythmia Research Package (CARP), with very minor perturbation of the code base. Overall, bidomain simulations were sped up by a factor of 11.8 to 16.3 in benchmarks running on 6-20 GPUs compared to the same number of CPU cores. To match the fastest GPU simulation which engaged 20 GPUs, 476 CPU cores were required on a national supercomputing facility.

  7. Temperature Field Simulation of Powder Sintering Process with ANSYS

    He, Hongxiu; Wang, Jun; Li, Shuting; Chen, Zhilong; Sun, Jinfeng; You, Ying

    2018-03-01

    Aiming at the “spheroidization phenomenon” in the laser sintering of metal powder and other quality problems of the forming parts due to the thermal effect, the finite element model of the three-dimensional transient metal powder was established by using the atomized iron powder as the research object. The simulation of the mobile heat source was realized by means of parametric design. The distribution of the temperature field during the sintering process under different laser power and different spot sizes was simulated by ANSYS software under the condition of fully considering the influence of heat conduction, thermal convection, thermal radiation and thermophysical parameters. The influence of these factors on the actual sintering process was also analyzed, which provides an effective way for forming quality control.

  8. Software for the Simulation of Power Plant Processes

    Elmegaard, Brian; Houbak, Niels

    2002-01-01

    description of many static and/or dynamic energy system or process simulators. It discusses the principal implementation of the model handling in DNA and finally, there is a small example illustrating that too simple component models may under certain circumstances result in an erroneous, singular model.......Modelling of energy systems has been increasingly more important. In particular the dynamic behaviour is critical when operating the systems closer to the limits (either of the process, the materials, the emissions or the economics, etc.). This enforces strong requirements on both the models...... and their numerical solution with respect to both accuracy and efficiency. In part A of this paper we give a survey on simulation of energy systems, from models and modelling, over numerical methods to implementational techniques. It covers important aspects of the different phases of modelling of a (energy) system...

  9. DYNSYL: a general-purpose dynamic simulator for chemical processes

    Patterson, G.K.; Rozsa, R.B.

    1978-01-01

    Lawrence Livermore Laboratory is conducting a safeguards program for the Nuclear Regulatory Commission. The goal of the Material Control Project of this program is to evaluate material control and accounting (MCA) methods in plants that handle special nuclear material (SNM). To this end we designed and implemented the dynamic chemical plant simulation program DYNSYL. This program can be used to generate process data or to provide estimates of process performance; it simulates both steady-state and dynamic behavior. The MCA methods that may have to be evaluated range from sophisticated on-line material trackers such as Kalman filter estimators, to relatively simple material balance procedures. This report describes the overall structure of DYNSYL and includes some example problems. The code is still in the experimental stage and revision is continuing

  10. Agglomeration processes in carbonaceous dusty plasmas, experiments and numerical simulations

    Dap, S; Hugon, R; De Poucques, L; Bougdira, J; Lacroix, D; Patisson, F

    2010-01-01

    This paper deals with carbon dust agglomeration in radio frequency acetylene/argon plasma. Two studies, an experimental and a numerical one, were carried out to model dust formation mechanisms. Firstly, in situ transmission spectroscopy of dust clouds in the visible range was performed in order to observe the main features of the agglomeration process of the produced carbonaceous dust. Secondly, numerical simulation tools dedicated to understanding the achieved experiments were developed. A first model was used for the discretization of the continuous population balance equations that characterize the dust agglomeration process. The second model is based on a Monte Carlo ray-tracing code coupled to a Mie theory calculation of dust absorption and scattering parameters. These two simulation tools were used together in order to numerically predict the light transmissivity through a dusty plasma and make comparisons with experiments.

  11. Dynamic simulation of the in-tank precipitation process

    Hang, T.; Shanahan, K.L.; Gregory, M.V.; Walker, D.D.

    1993-01-01

    As part of the High-Level Waste Tank Farm at the Savannah River Site (SRS), the In-Tank Precipitation (ITP) facility was designed to decontaminate the radioactive waste supernate by removing cesium as precipitated cesium tetraphenylborate. A dynamic computer model of the ITP process was developed using SPEEDUP TM software to provide guidance in the areas of operation and production forecast, production scheduling, safety, air emission, and process improvements. The model performs material balance calculations in all phase (solid, liquid, and gas) for 50 key chemical constituents to account for inventory accumulation, depletion, and dilution. Calculations include precipitation, benzene radiolytic reactions, evaporation, dissolution, adsorption, filtration, and stripping. To control the ITP batch operation a customized FORTRAN program was generated and linked to SPEEDUP TM simulation This paper summarizes the model development and initial results of the simulation study

  12. Parallel-Processing Test Bed For Simulation Software

    Blech, Richard; Cole, Gary; Townsend, Scott

    1996-01-01

    Second-generation Hypercluster computing system is multiprocessor test bed for research on parallel algorithms for simulation in fluid dynamics, electromagnetics, chemistry, and other fields with large computational requirements but relatively low input/output requirements. Built from standard, off-shelf hardware readily upgraded as improved technology becomes available. System used for experiments with such parallel-processing concepts as message-passing algorithms, debugging software tools, and computational steering. First-generation Hypercluster system described in "Hypercluster Parallel Processor" (LEW-15283).

  13. Simulation based optimization on automated fibre placement process

    Lei, Shi

    2018-02-01

    In this paper, a software simulation (Autodesk TruPlan & TruFiber) based method is proposed to optimize the automate fibre placement (AFP) process. Different types of manufacturability analysis are introduced to predict potential defects. Advanced fibre path generation algorithms are compared with respect to geometrically different parts. Major manufacturing data have been taken into consideration prior to the tool paths generation to achieve high success rate of manufacturing.

  14. From mineral processing to waste treatment: an open-mind process simulator

    Guillaneau, J.C.; Brochot, S.; Durance, M.V.; Villeneuve, J.; Fourniguet, G.; Vedrine, H.; Sandvik, K.; Reuter, M.

    1999-01-01

    More than two hundred companies are using the USIM PAC process simulator within the mineral industry world-wide. Either for design or plant adaptation, simulation is increasingly supporting the process Engineer in his activities. From the mineral field, new domains have been concerned by this model-based approach as new models are developed and new applications involving solid waste appears. Examples are presented in bio-processing, steel-making flue dust treatment for zinc valorisation, soil decontamination or urban waste valorisation (sorting, composting and incineration). (author)

  15. Measurement of the oxidation-extraction of uranium from wet-process phosphoric acid

    Lawes, B.C.

    1985-01-01

    The present invention relates to processes for the recovery of uranium from wet-process phosphoric acid and more particularly to the oxidation-extraction steps in the DEPA-TOPO process for such recovery. A more efficient use of oxidant is obtained by monitoring the redox potential during the extraction step

  16. From cellulose to kerogen: molecular simulation of a geological process.

    Atmani, Lea; Bichara, Christophe; Pellenq, Roland J-M; Van Damme, Henri; van Duin, Adri C T; Raza, Zamaan; Truflandier, Lionel A; Obliger, Amaël; Kralert, Paul G; Ulm, Franz J; Leyssale, Jean-Marc

    2017-12-01

    The process by which organic matter decomposes deep underground to form petroleum and its underlying kerogen matrix has so far remained a no man's land to theoreticians, largely because of the geological (Myears) timescale associated with the process. Using reactive molecular dynamics and an accelerated simulation framework, the replica exchange molecular dynamics method, we simulate the full transformation of cellulose into kerogen and its associated fluid phase under prevailing geological conditions. We observe in sequence the fragmentation of the cellulose crystal and production of water, the development of an unsaturated aliphatic macromolecular phase and its aromatization. The composition of the solid residue along the maturation pathway strictly follows what is observed for natural type III kerogen and for artificially matured samples under confined conditions. After expulsion of the fluid phase, the obtained microporous kerogen possesses the structure, texture, density, porosity and stiffness observed for mature type III kerogen and a microporous carbon obtained by saccharose pyrolysis at low temperature. As expected for this variety of precursor, the main resulting hydrocarbon is methane. The present work thus demonstrates that molecular simulations can now be used to assess, almost quantitatively, such complex chemical processes as petrogenesis in fossil reservoirs and, more generally, the possible conversion of any natural product into bio-sourced materials and/or fuel.

  17. Dynamic measurement of mercury adsorption and oxidation on activated carbon in simulated cement kiln flue gas

    Zheng, Yuanjing; Jensen, Anker Degn; Windelin, Christian

    2012-01-01

    of the sulfite converter is short and typically within 2min. Dynamic mercury adsorption and oxidation tests on commercial activated carbons Darco Hg and HOK standard were performed at 150°C using simulated cement kiln gas and a fixed bed reactor system. It is shown that the converter and analyzer system...... are still under development and are investigated in this work. A commercial red brass converter was tested at 180°C and it was found that the red brass chips work in nitrogen atmosphere only, but do not work properly under simulated cement kiln flue gas conditions. Test of the red brass converter using only...... elemental mercury shows that when HCl is present with either SO2 or NOx the mercury measurement after the converter is unstable and lower than the elemental mercury inlet level. The conclusion is that red brass chips cannot fully reduce oxidized mercury to elemental mercury when simulated cement kiln gas...

  18. Process simulation and parametric modeling for strategic project management

    Morales, Peter J

    2013-01-01

    Process Simulation and Parametric Modeling for Strategic Project Management will offer CIOs, CTOs and Software Development Managers, IT Graduate Students an introduction to a set of technologies that will help them understand how to better plan software development projects, manage risk and have better insight into the complexities of the software development process.A novel methodology will be introduced that allows a software development manager to better plan and access risks in the early planning of a project.  By providing a better model for early software development estimation and softw

  19. VIRTUAL COMMISSIONING OF A ROBOTIC CELL USING TECNOMATIX PROCESS SIMULATE

    Nicolae-Adrian DUMITRASCU

    2017-06-01

    Full Text Available The concept of Virtual Commissioning (VC has become one of the most essential phases in the development and simulation of automated manufacturing processes. By creating a digital copy of the real system installment, companies have the ability to test out more complex scenarios with robots and complicated mechatronics design, greatly decreasing the startup time of the plant and shortening the product’s time to the market, while increasing the overall quality at the same time. This paper presents the core concepts of VC and all the required resources and technologies that are involved in the development of a state-of-the-art manufacturing process.

  20. COMPUTER MODEL AND SIMULATION OF A GLOVE BOX PROCESS

    Foster, C.

    2001-01-01

    The development of facilities to deal with the disposition of nuclear materials at an acceptable level of Occupational Radiation Exposure (ORE) is a significant issue facing the nuclear community. One solution is to minimize the worker's exposure though the use of automated systems. However, the adoption of automated systems for these tasks is hampered by the challenging requirements that these systems must meet in order to be cost effective solutions in the hazardous nuclear materials processing environment. Retrofitting current glove box technologies with automation systems represents potential near-term technology that can be applied to reduce worker ORE associated with work in nuclear materials processing facilities. Successful deployment of automation systems for these applications requires the development of testing and deployment strategies to ensure the highest level of safety and effectiveness. Historically, safety tests are conducted with glove box mock-ups around the finished design. This late detection of problems leads to expensive redesigns and costly deployment delays. With wide spread availability of computers and cost effective simulation software it is possible to discover and fix problems early in the design stages. Computer simulators can easily create a complete model of the system allowing a safe medium for testing potential failures and design shortcomings. The majority of design specification is now done on computer and moving that information to a model is relatively straightforward. With a complete model and results from a Failure Mode Effect Analysis (FMEA), redesigns can be worked early. Additional issues such as user accessibility, component replacement, and alignment problems can be tackled early in the virtual environment provided by computer simulation. In this case, a commercial simulation package is used to simulate a lathe process operation at the Los Alamos National Laboratory (LANL). The Lathe process operation is indicative of

  1. Effects of Gravity on Supercritical Water Oxidation (SCWO) Processes

    Hegde, Uday; Hicks, Michael

    2013-01-01

    The effects of gravity on the fluid mechanics of supercritical water jets are being studied at NASA to develop a better understanding of flow behaviors for purposes of advancing supercritical water oxidation (SCWO) technologies for applications in reduced gravity environments. These studies provide guidance for the development of future SCWO experiments in new experimental platforms that will extend the current operational range of the DECLIC (Device for the Study of Critical Liquids and Crystallization) Facility on board the International Space Station (ISS). The hydrodynamics of supercritical fluid jets is one of the basic unit processes of a SCWO reactor. These hydrodynamics are often complicated by significant changes in the thermo-physical properties that govern flow behavior (e.g., viscosity, thermal conductivity, specific heat, compressibility, etc), particularly when fluids transition from sub-critical to supercritical conditions. Experiments were conducted in a 150 ml reactor cell under constant pressure with water injections at various flow rates. Flow configurations included supercritical jets injected into either sub-critical or supercritical water. Profound gravitational influences were observed, particularly in the transition to turbulence, for the flow conditions under study. These results will be presented and the parameters of the flow that control jet behavior will be examined and discussed.

  2. Pengolahan Limbah Cair Pabrik Pupuk Urea Menggunakan Advanced Oxidation Processes

    Darmadi Darmadi

    2014-06-01

    Full Text Available Limbah cair pabrik pupuk urea terdiri dari urea dan amonium yang masing-masing mempunyai konsentrasi berkisar antara 1500-10000 ppm dan 400-3000 ppm. Konsentrasi urea yang tinggi di dalam badan air dapat menyebabkan blooming algae dalam ekosistem tersebut yang dapat mengakibatkan kehidupan biota air lain terserang penyakit. Peristiwa ini terjadi karena kurangnya nutrisi bagi biota air dan sedikitnya sinar matahari yang dapat menembusi permukaan air. Disamping kedua hal tersebut di atas, algae juga dapat memproduksi senyawa beracun bagi biota air dan manusia. Penelitian ini bertujuan untuk mengolah urea menggunakan oksidasi konvensional (H2O2 dan Advanced Oxidation Processes (kombinasi H2O2-Fe2+ pada pH 5 dengan parameter yang digunakan adalah variasi konsen-trasi awal H2O2  dan konsentrasi Fe2+. Hasil percobaan menunjukkan bahwa penurunan konsentrasi urea tertinggi diperoleh pada penggunaan reagen fenton (8000 ppm H2O2 dan 500 ppm Fe2+, yaitu dapat menurunkan urea dari konsentrasi awal urea 2566,145 ppm menjadi 0 ppm. Kinetika reaksi dekomposisi urea menjadi amonium dan amonium menjadi nitrit dan nitrat yang diuji mengikuti laju kinetika reaksi orde 1 (satu terhadap urea dan orde satu terhadap amonium dengan konstanta laju reaksi masing-masing k1 = 0,019 dan k2 = 0,022 min-1.

  3. Process for electroforming nickel containing dispersed thorium oxide particles therein

    Malone, G.A.

    1975-01-01

    Nickel electroforming is effected by passing a direct current through a bath containing a dissolved nickel salt or a mixture of such salts, such as those present in sulfamate or Watts baths, and finely divided sol-derived thorium oxide particles of 75 to 300 angstroms, preferably 100 to 200 angstroms diameters therein, at a pH in the range of 0.4 to 1.9, preferably 0.8 to 1.3. The nickel so deposited, as on a pre-shaped stainless steel cathode, may be produced in desired shape and may be removed from the cathode and upon removal, without additional working, possesses desirable engineering properties at elevated temperatures, e.g., 1,500 to 2,200 0 F. Although the material produced is of improved high temperature stability, hardness, and ductility, compared with nickel alone, it is still ductile at room temperature and has properties equivalent or superior to nickel at room temperatures up to 1,500 0 F. Further improvements in mechanical properties of the material may be obtained by working. Also disclosed are electrodeposition baths, methods for their manufacture, and products resulting from the electrodeposition process. (U.S.)

  4. Parallel and distributed processing in power system simulation and control

    Falcao, Djalma M [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia

    1994-12-31

    Recent advances in computer technology will certainly have a great impact in the methodologies used in power system expansion and operational planning as well as in real-time control. Parallel and distributed processing are among the new technologies that present great potential for application in these areas. Parallel computers use multiple functional or processing units to speed up computation while distributed processing computer systems are collection of computers joined together by high speed communication networks having many objectives and advantages. The paper presents some ideas for the use of parallel and distributed processing in power system simulation and control. It also comments on some of the current research work in these topics and presents a summary of the work presently being developed at COPPE. (author) 53 refs., 2 figs.

  5. Carbon dioxide capture processes: Simulation, design and sensitivity analysis

    Zaman, Muhammad; Lee, Jay Hyung; Gani, Rafiqul

    2012-01-01

    equilibrium and associated property models are used. Simulations are performed to investigate the sensitivity of the process variables to change in the design variables including process inputs and disturbances in the property model parameters. Results of the sensitivity analysis on the steady state...... performance of the process to the L/G ratio to the absorber, CO2 lean solvent loadings, and striper pressure are presented in this paper. Based on the sensitivity analysis process optimization problems have been defined and solved and, a preliminary control structure selection has been made.......Carbon dioxide is the main greenhouse gas and its major source is combustion of fossil fuels for power generation. The objective of this study is to carry out the steady-state sensitivity analysis for chemical absorption of carbon dioxide capture from flue gas using monoethanolamine solvent. First...

  6. Hybrid numerical methods for multiscale simulations of subsurface biogeochemical processes

    Scheibe, T D; Tartakovsky, A M; Tartakovsky, D M; Redden, G D; Meakin, P

    2007-01-01

    Many subsurface flow and transport problems of importance today involve coupled non-linear flow, transport, and reaction in media exhibiting complex heterogeneity. In particular, problems involving biological mediation of reactions fall into this class of problems. Recent experimental research has revealed important details about the physical, chemical, and biological mechanisms involved in these processes at a variety of scales ranging from molecular to laboratory scales. However, it has not been practical or possible to translate detailed knowledge at small scales into reliable predictions of field-scale phenomena important for environmental management applications. A large assortment of numerical simulation tools have been developed, each with its own characteristic scale. Important examples include 1. molecular simulations (e.g., molecular dynamics); 2. simulation of microbial processes at the cell level (e.g., cellular automata or particle individual-based models); 3. pore-scale simulations (e.g., lattice-Boltzmann, pore network models, and discrete particle methods such as smoothed particle hydrodynamics); and 4. macroscopic continuum-scale simulations (e.g., traditional partial differential equations solved by finite difference or finite element methods). While many problems can be effectively addressed by one of these models at a single scale, some problems may require explicit integration of models across multiple scales. We are developing a hybrid multi-scale subsurface reactive transport modeling framework that integrates models with diverse representations of physics, chemistry and biology at different scales (sub-pore, pore and continuum). The modeling framework is being designed to take advantage of advanced computational technologies including parallel code components using the Common Component Architecture, parallel solvers, gridding, data and workflow management, and visualization. This paper describes the specific methods/codes being used at each

  7. Simulation of a tubular solid oxide fuel cell stack using AspenPlusTM unit operation models

    Zhang, W.; Croiset, E.; Douglas, P.L.; Fowler, M.W.; Entchev, E.

    2005-01-01

    The design of a fuel cell system involves both optimization of the fuel cell stack and the balance of plant with respect to efficiency and economics. Many commercially available process simulators, such as AspenPlus TM , can facilitate the analysis of a solid oxide fuel cell (SOFC) system. A SOFC system may include fuel pre-processors, heat exchangers, turbines, bottoming cycles, etc., all of which can be very effectively modelled in process simulation software. The current challenge is that AspenPlus TM or any other commercial process simulators do not have a model of a basic SOFC stack. Therefore, to enable performing SOFC system simulation using one of these simulators, one must construct an SOFC stack model that can be implemented in them. The most common approach is to develop a complete SOFC model in a programming language, such as Fortran, Visual Basic or C++, first and then link it to a commercial process simulator as a user defined model or subroutine. This paper introduces a different approach to the development of a SOFC model by utilizing existing AspenPlus TM functions and existing unit operation modules. The developed ''AspenPlus TM SOFC'' model is able to provide detailed thermodynamic and parametric analyses of the SOFC operation and can easily be extended to study the entire power plant consisting of the SOFC and the balance of plant without the requirement for linking with other software. Validation of this model is performed by comparison to a Siemens-Westinghouse 100 kW class tubular SOFC stack. Sensitivity analyses of major operating parameters, such as utilization factor (U f ), current density (I c ) and steam-carbon ratio (S/C), were performed using the developed model, and the results are discussed in this paper

  8. Numerical Investigation of the Flameless Oxidation of Natural Gas in the IFRF Furnace Using Large Eddy Simulation

    Seyed Mahmood Mousavi

    2014-12-01

    Full Text Available In this paper, in order to investigate the effect of working parameters on 3D non-premixed Flameless oxidation occurring in the IFRF furnace, large eddy simulation model is applied on OpenFOAM environment. The radiation and combustion are modeled by applying the finite volume discrete ordinate model and partially stirred reactor, respectively. Furthermore the detailed mechanism GRI-2.11 is undertaken represent chemistry reactions. The obtained results are compared with the published experimental measurements. After ensuring the accuracy of the LES method, the combustion characteristics are examined with different fuel injection angles, adding H2O, H2, and the inlet Reynolds number. The results indicated significant changes in the characteristics of the Flameless oxidation process.

  9. Design of the Laboratory-Scale Plutonium Oxide Processing Unit in the Radiochemical Processing Laboratory

    Lumetta, Gregg J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Meier, David E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Tingey, Joel M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Casella, Amanda J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Delegard, Calvin H. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Edwards, Matthew K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Orton, Robert D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Rapko, Brian M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Smart, John E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2015-05-01

    This report describes a design for a laboratory-scale capability to produce plutonium oxide (PuO2) for use in identifying and validating nuclear forensics signatures associated with plutonium production, as well as for use as exercise and reference materials. This capability will be located in the Radiochemical Processing Laboratory at the Pacific Northwest National Laboratory. The key unit operations are described, including PuO2 dissolution, purification of the Pu by ion exchange, precipitation, and re-conversion to PuO2 by calcination.

  10. Simulation Analysis of Sludge Disposal and Volatile Fatty Acids Production from Gravity Pressure Reactor via Wet Air Oxidation

    Park, Gwon Woo; Seo, Tae Wan; Lee, Hong-Cheol; Hwang, In-Ju

    2016-01-01

    Efficacious wastewater treatment is essential for increasing sewage sludge volume and implementing strict environmental regulations. The operation cost of sludge treatment amounts up to 50% of the total costs for wastewater treatment plants, therefore, an economical sludge destruction method is crucially needed. Amid several destruction methods, wet air oxidation (WAO) can efficiently treat wastewater containing organic pollutants. It can be used not only for sludge destruction but also for useful by-product production. Volatile fatty acids (VFAs), one of many byproducts, is considered to be an important precursor of biofuel and chemical materials. Its high reaction condition has instituted the study of gravity pressure reactor (GPR) for an economical process of WAO to reduce operation cost. Simulation of subcritical condition was conducted using Aspen Plus with predictive Soave-Redlich-Kwong (PSRK) equation of state. Conjointly, simulation analysis for GPR depth, oxidizer type, sludge flow rate and oxidizer injection position was carried out. At GPR depth of 1000m and flow rate of 2 ton/h, the conversion and yield of VFAs were 92.02% and 0.17g/g, respectively

  11. Simulation Analysis of Sludge Disposal and Volatile Fatty Acids Production from Gravity Pressure Reactor via Wet Air Oxidation

    Park, Gwon Woo [Biomass and Waste Energy Laboratory, KIER, Daejeon (Korea, Republic of); Seo, Tae Wan; Lee, Hong-Cheol; Hwang, In-Ju [Environmental and Plant Engineering Research Institute, KICT, Goyang (Korea, Republic of)

    2016-04-15

    Efficacious wastewater treatment is essential for increasing sewage sludge volume and implementing strict environmental regulations. The operation cost of sludge treatment amounts up to 50% of the total costs for wastewater treatment plants, therefore, an economical sludge destruction method is crucially needed. Amid several destruction methods, wet air oxidation (WAO) can efficiently treat wastewater containing organic pollutants. It can be used not only for sludge destruction but also for useful by-product production. Volatile fatty acids (VFAs), one of many byproducts, is considered to be an important precursor of biofuel and chemical materials. Its high reaction condition has instituted the study of gravity pressure reactor (GPR) for an economical process of WAO to reduce operation cost. Simulation of subcritical condition was conducted using Aspen Plus with predictive Soave-Redlich-Kwong (PSRK) equation of state. Conjointly, simulation analysis for GPR depth, oxidizer type, sludge flow rate and oxidizer injection position was carried out. At GPR depth of 1000m and flow rate of 2 ton/h, the conversion and yield of VFAs were 92.02% and 0.17g/g, respectively.

  12. Bituminization of simulated waste, spent resins, evaporator concentrates and animal ashes by extrusion process

    Grosche Filho, C.E.; Chandra, U.

    1987-01-01

    The results of the study of bituminization of simulated radwaste - spennt ion-exchange resins, borate evaporator/concentrates and animal ashes, are presented and discussed. Distilled and oxidizer bitumen were used. Characterization of the crude material and simulated wastes-bitumen mixtures of varying weigt composition (30, 40, 50, 60% by weight of dry waste material) was carried out. The asphaltene and parafin contents in the bitumens were also determined. Some additives and were used with an aim to improve the characteristcs of solidified wastes. For leaching studies, granular ion-exchange resins were with Cs - 134 and mixtures of resin-bitumen were prepared. The leaching studies were executed using the IAEA recommendation and the ISO method. A conventional screw-extruder, common in plastic industry, was used determine operational parameters and process difficulties. Mixtures of resin-bitumen and evaporator concentrate-bitumen obtained from differents operational conditions were characterized. (Author) [pt

  13. Bituminization of simulated waste, spent resins, evaporator concentrates and animal ashes by extrusion process

    Grosche Filho, C.E.; Chandra, U.

    1986-01-01

    The results of the study of simulated radwaste, spent ion-exchange resins, borates/evaporator-concentrates and animal ashes, in bituminized form, are presented and discussed. Distilled and oxidized bitumen were used for characterizing the crude material and simulated wastes-bitumen mixtures of varying weight composition 30, 40, 50, 60% by weight the dry waste material. The asphaltine and parafin contents in the bitumens were determined. Some additives and clays were used aiming best characteristics of solidified wastes. For leaching studies, granular ion-exchange resins were loaded with Cs 134 and mixtures of resins-bitumens were prepared. The leaching studies were executed using the IAEA recommendation and the ISO method. It was used a conventional screw-extruder, used in plastic industry, to determine operational conditions and process difficulties. Mixtures resins-bitumen and concentrate-bitumen in differents operational condition were prepared and analysed. (Author) [pt

  14. Construction material processed using lunar simulant in various environments

    Chase, Stan; Ocallaghan-Hay, Bridget; Housman, Ralph; Kindig, Michael; King, John; Montegrande, Kevin; Norris, Raymond; Vanscotter, Ryan; Willenborg, Jonathan; Staubs, Harry

    1995-01-01

    The manufacture of construction materials from locally available resources in space is an important first step in the establishment of lunar and planetary bases. The objective of the CoMPULSIVE (Construction Material Processed Using Lunar Simulant In Various Environments) experiment is to develop a procedure to produce construction materials by sintering or melting Johnson Space Center Simulant 1 (JSC-1) lunar soil simulant in both earth-based (1-g) and microgravity (approximately 0-g) environments. The characteristics of the resultant materials will be tested to determine its physical and mechanical properties. The physical characteristics include: crystalline, thermal, and electrical properties. The mechanical properties include: compressive tensile, and flexural strengths. The simulant, placed in a sealed graphite crucible, will be heated using a high temperature furnace. The crucible will then be cooled by radiative and forced convective means. The core furnace element consists of space qualified quartz-halogen incandescent lamps with focusing mirrors. Sample temperatures of up to 2200 C are attainable using this heating method.

  15. Simulation of the SSC refrigeration system using the ASPEN/SP process simulator

    Rasson, J.; Dweck, J.

    1990-01-01

    The SSC Magnet must be maintained at a superconducting temperature of 4 K. The proposed refrigeration cooling processes consist of fairly simple closed cycles which take advantage of the Joule-Thompson effect via a series of expansions and compressions of helium gas which has been precooled by liquid nitrogen. The processes currently under consideration consist of three cycles, the 20 K shield cooling, the 4.0 K helium refrigerator and the helium liquefier. The process units which are to be employed are compressors, turbines, expanders, mixers, flashes, two stream heat exchangers and multiple stream heat exchangers. The cycles are to be operated at or near steady state. Due to the large number of competing cooling sector designs to be considered and the high capital and operating costs of the proposed processes, the SSC Laboratory requires a software tool for the validation and optimization of the individual designs and for the performance of cost-benefit analyses among competing designs. Since these processes are steady state flow processes involving primarily standard unit operations, a decision was made to investigate the application of a commercial process simulator to the task. Several months of internal evaluations by the SSC Laboratory revealed that while the overall structure and calculation approach of a number of the commercial simulators were appropriate for this task, all were lacking essential capabilities in the areas of thermodynamic property calculations for cryogenic systems and modeling of complex, multiple stream heat exchangers. An acceptable thermodynamic model was provided and a series of simple, but three software vendors. Based on the results of the benchmark tests, the ASPEN/SP process simulator was selected for future modeling work. 2 refs., 4 figs

  16. Simulation of the SSC [Superconducting Super Collider] refrigeration system using the ASPEN/SP process simulator

    Rasson, J.; Dweck, J.

    1990-08-01

    The SSC Magnet must maintain at a super conducting temperature of 4 K. The proposed refrigeration cooling processes consist of fairly simple closed cycles which take advantage of the Joule-Thompson effect via a series of expansions and compressions of helium gas which has been precooled by liquid nitrogen. The processes currently under consideration consist of three cycles, the 20 K shield cooling, the 45 K helium refrigerator and the helium liquefier. The process units which are to be employed are compressors, turbines, expanders, mixers, flashes, two stream heat exchangers and multiple stream heat exchangers. The cycles are to be operated at or near steady state. Due to the large number of competing cooling sector designs to be considered and the high capital and operating costs of the proposed processes, the SSC Laboratory requires a software tool for the validation and optimization of the individual designs and for the performance of cost-benefit analyses among competing designs. Since these processes are steady state flow processes involving primarily standard unit operations, a decision was made to investigate the application of a commercial process simulator to the task. Several months of internal evaluations by the SSC Laboratory revealed that while the overall structure and calculation approach of number of the commercial simulators were appropriate for this task, all were lacking essential capabilities in the areas of thermodynamic property calculations for cryogenic systems and modeling of complex, multiple stream heat exchangers. An acceptable thermodynamics model was provided and a series of simple, but representative benchmark problems developed. The model and problems were provided to three software vendors. Based on the results of the benchmark test, the ASPEN/SP process simulator was selected for future modeling work

  17. Decolourisation of simulated reactive dyebath effluents by electrochemical oxidation assisted by UV light.

    López-Grimau, V; Gutiérrez, M C

    2006-01-01

    This study is focused on the optimisation of the electrochemical decolourisation of textile effluents containing reactive dyes with the aim of making feasible-technically and economically-this method at industrial scale. Coloured waters were treated in continuous at low current density, to reduce the electrical consumption. Ti/PtO(x) electrodes were used to oxidize simulated dyebaths prepared with an azo/dichlorotriazine reactive dye (C.I. Reactive Orange 4). The decolourisation yield was dependent on the dyeing electrolyte (NaCl or Na(2)SO(4)). Dyeing effluents which contained from 0.5 to 20 gl(-1) of NaCl reached a high decolourisation yield, depending on the current density, immediately after the electrochemical process. These results were improved when the effluents were stored for several hours under solar light. After the electrochemical treatment the effluents were stored in a tank and exposed under different lighting conditions: UV light, solar light and darkness. The evolution of the decolourisation versus the time of storage was reported and kinetic constants were calculated. The time of storage was significantly reduced by the application of UV light. A dye mineralization study was also carried out on a concentrated dyebath. A TOC removal of 81% was obtained when high current density was applied for a prolonged treatment with recirculation. This treatment required a high electrical consumption.

  18. A simulation of the Wolsong TRF LPCE process

    Kim, K. S.; Lee, S. K.; Song, K. M.; Son, S. H.

    2000-01-01

    The concentric tubular type hydrogen isotope liquid phase catalytic exchange(LPCE) column for the front end process of the Wolsong Tritium Removal Facility(WTRF) was simulated. Both D/T and H/D systems were simulated for the WTRE and the pilot plant for the WTRE respectively. As the difference of latent heats among the hydrogen isotopes and the amount of tritium in the feed heavy water are very small as well as the column is thermally insulated, energy balance was ignored in the model. Pressure drop, the efficiencies of the catalytic bed and the hydrophilic bed, and the recycle of the condensed vapour to the top of the column were considered in the model. The column is simulated from the bottom progressively so that no iteration was required. The performance of the column was enhanced as the increase of the column temperature and the decrease of the pressure. To process the feed heavy water of 100 kg/h and tritium content of 6.3x10 -6 in mole fraction with the detriation factor of 35 using a 55 stage column the column temperature would be 70 .deg. C and the efficiency of the hydrophilic bed should be more than 0.69 when the efficiency of the catalytic bed was 0.8

  19. Model simulating oxidation of Zircalot-4 at 400 (C in water vapor. Influence of thermal cycling and structure

    Garcia, Eduardo A.; Beranguer, G.

    1998-01-01

    This work gives a model simulating the oxidation of Zircaloy-4 in water vapor at 400 (C with different precipitates and granular sizes. The model combines diffusion with inter linked porosity, defining also an interface in the oxide separating phases of inter linked porosity from non inter linked porosity in the (PI/PnL) oxide, which spreads in a discrete way in time and is capable of reproducing kinetics of experimental oxidation

  20. Coupling mechanism between wear and oxidation processes of 304 stainless steel in hydrogen peroxide environments.

    Dong, Conglin; Yuan, Chengqing; Bai, Xiuqin; Li, Jian; Qin, Honglin; Yan, Xinping

    2017-05-24

    Stainless steel is widely used in strongly oxidizing hydrogen peroxide (H 2 O 2 ) environments. It is crucial to study its wear behaviour and failure mode. The tribological properties and oxidation of 304 stainless steel were investigated using a MMW-1 tribo-tester with a three-electrode setup in H 2 O 2 solutions with different concentrations. Corrosion current densities (CCDs), coefficients of frictions (COFs), wear mass losses, wear surface topographies, and metal oxide films were analysed and compared. The results show that the wear process and oxidation process interacted significantly with each other. Increasing the concentration of H 2 O 2 or the oxidation time was useful to form a layer of integrated, homogeneous, compact and thick metal oxide film. The dense metal oxide films with higher mechanical strengths improved the wear process and also reduced the oxidation reaction. The wear process removed the metal oxide films to increase the oxidation reaction. Theoretical data is provided for the rational design and application of friction pairs in oxidation corrosion conditions.

  1. Screw calciner mechanical direct denitration process for plutonium nitrate to oxide conversion

    Souply, K.R.; Sperry, W.E.

    1977-01-01

    This report describes a screw calciner direct-denitration process for converting plutonium nitrate to plutonium oxide. The information should be used when making comparisons of alternative plutonium nitrate-to-oxide conversion processes or as a basis for further detailed studies. The report contains process flow sheets with a material balance; a process description; and a discussion of the process including history, advantages and disadvantages, and additional research required

  2. Simulation of anaerobic digestion processes using stochastic algorithm.

    Palanichamy, Jegathambal; Palani, Sundarambal

    2014-01-01

    The Anaerobic Digestion (AD) processes involve numerous complex biological and chemical reactions occurring simultaneously. Appropriate and efficient models are to be developed for simulation of anaerobic digestion systems. Although several models have been developed, mostly they suffer from lack of knowledge on constants, complexity and weak generalization. The basis of the deterministic approach for modelling the physico and bio-chemical reactions occurring in the AD system is the law of mass action, which gives the simple relationship between the reaction rates and the species concentrations. The assumptions made in the deterministic models are not hold true for the reactions involving chemical species of low concentration. The stochastic behaviour of the physicochemical processes can be modeled at mesoscopic level by application of the stochastic algorithms. In this paper a stochastic algorithm (Gillespie Tau Leap Method) developed in MATLAB was applied to predict the concentration of glucose, acids and methane formation at different time intervals. By this the performance of the digester system can be controlled. The processes given by ADM1 (Anaerobic Digestion Model 1) were taken for verification of the model. The proposed model was verified by comparing the results of Gillespie's algorithms with the deterministic solution for conversion of glucose into methane through degraders. At higher value of 'τ' (timestep), the computational time required for reaching the steady state is more since the number of chosen reactions is less. When the simulation time step is reduced, the results are similar to ODE solver. It was concluded that the stochastic algorithm is a suitable approach for the simulation of complex anaerobic digestion processes. The accuracy of the results depends on the optimum selection of tau value.

  3. Reoxidation of uranium in electrolytically reduced simulated oxide fuel during residual salt distillation

    Eun-Young Choi; Jin-Mok Hur; Min Ku Jeon; University of Science and Technology, Yuseong-gu, Daejeon

    2017-01-01

    We report that residual salt removal by high-temperature distillation causes partial reoxidation of uranium metal to uranium oxide in electrolytically reduced simulated oxide fuel. Specifically, the content of uranium metal in the above product decreases with increasing distillation temperatures, which can be attributed to reoxidation by Li 2 O contained in residual salt (LiCl). Additionally, we estimate the fractions of Li 2 O reacted with uranium metal under these conditions, showing that they decrease with decreasing temperature, and calculate some thermodynamic parameters of the above reoxidation. (author)

  4. Interactions between Biliverdin, Oxidative Damage, and Spleen Morphology after Simulated Aggressive Encounters in Veiled Chameleons.

    Michael W Butler

    Full Text Available Stressors frequently increase oxidative damage--unless organisms simultaneously mount effective antioxidant responses. One putative mitigative mechanism is the use of biliverdin, an antioxidant produced in the spleen during erythrocyte degradation. We hypothesized that both wild and captive-bred male veiled chameleons (Chamaeleo calyptratus, which are highly aggressive to conspecifics, would respond to agonistic displays with increased levels of oxidative damage, but that increased levels of biliverdin would limit this increase. We found that even just visual exposure to a potential combatant resulted in decreased body mass during the subsequent 48-hour period, but that hematocrit, biliverdin concentration in the bile, relative spleen size, and oxidative damage in plasma, liver, and spleen were unaffected. Contrary to our predictions, we found that individuals with smaller spleens exhibited greater decreases in hematocrit and higher bile biliverdin concentrations, suggesting a revision to the idea of spleen-dependent erythrocyte processing. Interestingly, individuals with larger spleens had reduced oxidative damage in both the liver and spleen, demonstrating the spleen's importance in modulating oxidative damage. We also uncovered differences in spleen size and oxidative damage between wild and captive-bred chameleons, highlighting environmentally dependent differences in oxidative physiology. Lastly, we found no relationship between oxidative damage and biliverdin concentration, calling into question biliverdin's antioxidant role in this species.

  5. Web-Based Modelling and Collaborative Simulation of Declarative Processes

    Slaats, Tijs; Marquard, Morten; Shahzad, Muhammad

    2015-01-01

    -user discussions on how knowledge workers really work, by enabling collaborative simulation of processes. In earlier work we reported on the integration of DCR Graphs as a workflow execution formalism in the existing Exformatics ECM products. In this paper we report on the advances we have made over the last two......As a provider of Electronic Case Management solutions to knowledge-intensive businesses and organizations, the Danish company Exformatics has in recent years identified a need for flexible process support in the tools that we provide to our customers. We have addressed this need by adapting DCR...... Graphs, a formal declarative workflow notation developed at the IT University of Copenhagen. Through close collaboration with academia we first integrated execution support for the notation into our existing tools, by leveraging a cloud-based process engine implementing the DCR formalism. Over the last...

  6. IMPROVEMENT OF SLAB REHEATING PROCESS AT USIMINAS THROUGH MATHEMATICAL SIMULATION

    Antônio Adel dos Santos

    2012-09-01

    Full Text Available Basic characteristics and application examples of the mathematical simulator for reheating process in walking-beam type furnaces, that has been developed and applied to Usiminas plate mill line at Ipatinga, are shown in this paper. This is a bi-dimensional mathematical model solved by the finite volume method, validated by temperature measurements inside the slab during heating and coded as a visual tool. Among these applications, the following can be highlighted: (i determination of suitable furnace zone temperatures and residence times for processing steels by accelerated cooling technology; (ii determination of slab average temperature at discharging as well as at each zone exit, supplying data to be fed to the automation system at the comissioning stage; (iii analyses of slab thermal distribution through the reheating process, enabling operational optimization

  7. Advanced Wear Simulation for Bulk Metal Forming Processes

    Behrens Bernd-Arno

    2016-01-01

    Full Text Available In the recent decades the finite element method has become an essential tool for the cost-efficient virtual process design in the metal forming sector in order to counter the constantly increasing quality standards, particularly from the automotive industry as well as intensified international competition in the forging industry. An optimized process design taking precise tool wear prediction into account is a way to increase the cost-efficiency of the bulk metal forming processes. The main objective of the work presented in this paper is a modelling algorithm, which allows predicting die wear with respect to a geometry update during the forming simulation. Changes in the contact area caused by geometry update lead to the different die wear distribution. It primarily concerns the die areas, which undergo high thermal and mechanical loads.

  8. Holistic simulation of geotechnical installation processes numerical and physical modelling

    2015-01-01

    The book provides suitable methods for the simulations of boundary value problems of geotechnical installation processes with reliable prediction for the deformation behavior of structures in static or dynamic interaction with the soil. It summarizes the basic research of a research group from scientists dealing with constitutive relations of soils and their implementations as well as contact element formulations in FE-codes. Numerical and physical experiments are presented providing benchmarks for future developments in this field. Boundary value problems have been formulated and solved with the developed tools in order to show the effectivity of the methods. Parametric studies of geotechnical installation processes in order to identify the governing parameters for the optimization of the process are given in such a way that the findings can be recommended to practice for further use. For many design engineers in practice the assessment of the serviceability of nearby structures due to geotechnical installat...

  9. Application of Computer Simulation Modeling to Medication Administration Process Redesign

    Nathan Huynh

    2012-01-01

    Full Text Available The medication administration process (MAP is one of the most high-risk processes in health care. MAP workflow redesign can precipitate both unanticipated and unintended consequences that can lead to new medication safety risks and workflow inefficiencies. Thus, it is necessary to have a tool to evaluate the impact of redesign approaches in advance of their clinical implementation. This paper discusses the development of an agent-based MAP computer simulation model that can be used to assess the impact of MAP workflow redesign on MAP performance. The agent-based approach is adopted in order to capture Registered Nurse medication administration performance. The process of designing, developing, validating, and testing such a model is explained. Work is underway to collect MAP data in a hospital setting to provide more complex MAP observations to extend development of the model to better represent the complexity of MAP.

  10. Large Eddy Simulation of Cryogenic Injection Processes at Supercritical Pressure

    Oefelein, Joseph C.

    2002-01-01

    This paper highlights results from the first of a series of hierarchical simulations aimed at assessing the modeling requirements for application of the large eddy simulation technique to cryogenic injection and combustion processes in liquid rocket engines. The focus is on liquid-oxygen-hydrogen coaxial injectors at a condition where the liquid-oxygen is injected at a subcritical temperature into a supercritical environment. For this situation a diffusion dominated mode of combustion occurs in the presence of exceedingly large thermophysical property gradients. Though continuous, these gradients approach the behavior of a contact discontinuity. Significant real gas effects and transport anomalies coexist locally in colder regions of the flow, with ideal gas and transport characteristics occurring within the flame zone. The current focal point is on the interfacial region between the liquid-oxygen core and the coaxial hydrogen jet where the flame anchors itself.

  11. Finite element simulation of ironing process under warm conditions

    Swadesh Kumar Singh

    2014-01-01

    Full Text Available Metal forming is one of the most important steps in manufacturing of a large variety of products. Ironing in deep drawing is done by adjusting the clearance between the punch and the die and allow the material flow over the punch. In the present investigation effect of extent of ironing behavior on the characteristics of the product like thickness distribution with respect to temperature was studied. With the help of finite element simulation using explicit finite element code LS-DYNA the stress in the drawn cup were predicted in the drawn cup. To increase the accuracy in the simulation process, numbers of integration points were increased in the thickness direction and it was found that there is very close prediction of finite element results to that of experimental ones.

  12. Three-dimensional numerical simulation during laser processing of CFRP

    Ohkubo, Tomomasa; Sato, Yuji; Matsunaga, Ei-ichi; Tsukamoto, Masahiro

    2017-09-01

    We performed three-dimensional numerical simulation about laser processing of carbon-fiber-reinforced plastic (CFRP) using OpenFOAM as libraries of finite volume method (FVM). Although a little theoretical or numerical studies about heat affected zone (HAZ) formation were performed, there is no research discussing how HAZ is generated considering time development about removal of each material. It is important to understand difference of removal speed of carbon fiber and resin in order to improve quality of cut surface of CFRP. We demonstrated how the carbon fiber and resin are removed by heat of ablation plume by our simulation. We found that carbon fiber is removed faster than resin at first stage because of the difference of thermal conductivity, and after that, the resin is removed faster because of its low combustion temperature. This result suggests the existence of optimal contacting time of the laser ablation and kerf of the target.

  13. Simulation of Stamping Process of Automotive Panel Considering Die Deformation

    Keum, Y.T.; Ahn, I.H.; Lee, I.K.; Song, M.H.; Kwon, S.O.; Park, J.S.

    2005-01-01

    In order to see the effect of die deformation on the forming of sheet metals, the draw-ins, strains, and spring-backs of an automotive fender panels are numerically simulated considering the die deformation, which is found by the simultaneous structural analysis of press and dies. By coupling the forming analysis and the structural analysis, the die deformation is simultaneously taken into account in the forming process. Furthermore, for the consideration of load difference transferred among the upper die, punch, and blank holder due to the changes in sheet thickness, the gap elements are employed instead of the blank sheet in the structural analysis. The numerical simulation results of an automotive fender draw panel are compared with the measurements. The comparison of the forming and spring-back analysis results between the rigid die and the deformed die shows that the deformed tool provides more accurate forming and spring-back prediction

  14. Applying the Nernst equation to simulate redox potential variations for biological nitrification and denitrification processes.

    Chang, Cheng-Nan; Cheng, Hong-Bang; Chao, Allen C

    2004-03-15

    In this paper, various forms of Nernst equations have been developed based on the real stoichiometric relationship of biological nitrification and denitrification reactions. Instead of using the Nernst equation based on a one-to-one stoichiometric relation for the oxidizing and the reducing species, the basic Nernst equation is modified into slightly different forms. Each is suitable for simulating the redox potential (ORP) variation of a specific biological nitrification or denitrification process. Using the data published in the literature, the validity of these developed Nernst equations has been verified by close fits of the measured ORP data with the calculated ORP curve. The simulation results also indicate that if the biological process is simulated using an incorrect form of Nernst equation, the calculated ORP curve will not fit the measured data. Using these Nernst equations, the ORP value that corresponds to a predetermined degree of completion for the biochemical reaction can be calculated. Thus, these Nernst equations will enable a more efficient on-line control of the biological process.

  15. Early stage oxynitridation process of Si(001) surface by NO gas: Reactive molecular dynamics simulation study

    Cao, Haining; Kim, Seungchul; Lee, Kwang-Ryeol; Srivastava, Pooja; Choi, Keunsu

    2016-01-01

    Initial stage of oxynitridation process of Si substrate is of crucial importance in fabricating the ultrathin gate dielectric layer of high quality in advanced MOSFET devices. The oxynitridation reaction on a relaxed Si(001) surface is investigated via reactive molecular dynamics (MD) simulation. A total of 1120 events of a single nitric oxide (NO) molecule reaction at temperatures ranging from 300 to 1000 K are statistically analyzed. The observed reaction kinetics are consistent with the previous experimental or calculation results, which show the viability of the reactive MD technique to study the NO dissociation reaction on Si. We suggest the reaction pathway for NO dissociation that is characterized by the inter-dimer bridge of a NO molecule as the intermediate state prior to NO dissociation. Although the energy of the inter-dimer bridge is higher than that of the intra-dimer one, our suggestion is supported by the ab initio nudged elastic band calculations showing that the energy barrier for the inter-dimer bridge formation is much lower. The growth mechanism of an ultrathin Si oxynitride layer is also investigated via consecutive NO reactions simulation. The simulation reveals the mechanism of self-limiting reaction at low temperature and the time evolution of the depth profile of N and O atoms depending on the process temperature, which would guide to optimize the oxynitridation process condition.

  16. Early stage oxynitridation process of Si(001) surface by NO gas: Reactive molecular dynamics simulation study

    Cao, Haining; Kim, Seungchul; Lee, Kwang-Ryeol, E-mail: krlee@kist.re.kr [Computational Science Research Center, Korea Institute of Science and Technology, 5, Hwarangno 14-gil, Seongbuk-gu, Seoul 02792 (Korea, Republic of); Department of Nanomaterial Science and Technology, Korea University of Science and Technology, 217 Gajeong-ro, Yuseong-gu, Daejeon 34113 (Korea, Republic of); Srivastava, Pooja; Choi, Keunsu [Computational Science Research Center, Korea Institute of Science and Technology, 5, Hwarangno 14-gil, Seongbuk-gu, Seoul 02792 (Korea, Republic of)

    2016-03-28

    Initial stage of oxynitridation process of Si substrate is of crucial importance in fabricating the ultrathin gate dielectric layer of high quality in advanced MOSFET devices. The oxynitridation reaction on a relaxed Si(001) surface is investigated via reactive molecular dynamics (MD) simulation. A total of 1120 events of a single nitric oxide (NO) molecule reaction at temperatures ranging from 300 to 1000 K are statistically analyzed. The observed reaction kinetics are consistent with the previous experimental or calculation results, which show the viability of the reactive MD technique to study the NO dissociation reaction on Si. We suggest the reaction pathway for NO dissociation that is characterized by the inter-dimer bridge of a NO molecule as the intermediate state prior to NO dissociation. Although the energy of the inter-dimer bridge is higher than that of the intra-dimer one, our suggestion is supported by the ab initio nudged elastic band calculations showing that the energy barrier for the inter-dimer bridge formation is much lower. The growth mechanism of an ultrathin Si oxynitride layer is also investigated via consecutive NO reactions simulation. The simulation reveals the mechanism of self-limiting reaction at low temperature and the time evolution of the depth profile of N and O atoms depending on the process temperature, which would guide to optimize the oxynitridation process condition.

  17. Environmental assessment of different solar driven advanced oxidation processes

    Munoz, Ivan; Rieradevall, Joan [Institut de Ciencia i Tecnologia Ambientals (ICTA), Universitat Autonoma de Barcelona, 08193 Bellaterra (Barcelona) (Spain); Torrades, Francesc [Departament d' Enginyeria Quimica, ETSEI de Terrassa, Universitat Politecnica de Catalunya, 08222 Terrassa (Barcelona) (Spain); Peral, Jose; Domenech, Xavier [Departament de Quimica, Universitat Autonoma de Barcelona, 08193 Bellaterra (Barcelona) (Spain)

    2005-10-01

    In this work a comparative environmental assessment of different advanced oxidation processes (AOP's) is performed. Two energy scenarios have been considered according to the energy source used: solar energy and electricity (UVA lamp). A life cycle assessment (LCA) is carried out in order to quantify the environmental impacts of the AOP's. The treatments considered are heterogenous photocatalysis, photo-Fenton reactions, the coupling of heterogeneous photocatalysis and photo-Fenton, and heterogeneous photocatalysis in combination with hydrogen peroxide. These AOP's are applied to the treatment of kraft mill bleaching wastewaters. The system under study includes the production of the catalysts, reagents as well as the production of electricity; eight environmental impact categories are assessed for each AOP: global warming, ozone depletion, aquatic eutrophication, acidification, human toxicity, freshwater aquatic toxicity, photochemical ozone formation, and abiotic resource depletion. the results of the LCA show that the environmental impact of AOP's is caused mainly by the amount of electricity consumed, whereas the impact of producing the reagents and catalysts is comparatively low. For this reason, the solar energy scenario reduces the impact more than 90% for almost all AOP's and impact categories. None of the solar driven AOP's can be identified as the best in all impact categories, but heterogenous photocatalysis and photo-Fenton reactions obtain better results than the remaining treatments, since these treatments do not consume simultaneously both TiO{sub 2} and H{sub 2}O{sub 2}, the chemicals with highest environmental burdens in the system. (author)

  18. Cyclotron resonant scattering feature simulations. II. Description of the CRSF simulation process

    Schwarm, F.-W.; Ballhausen, R.; Falkner, S.; Schönherr, G.; Pottschmidt, K.; Wolff, M. T.; Becker, P. A.; Fürst, F.; Marcu-Cheatham, D. M.; Hemphill, P. B.; Sokolova-Lapa, E.; Dauser, T.; Klochkov, D.; Ferrigno, C.; Wilms, J.

    2017-05-01

    Context. Cyclotron resonant scattering features (CRSFs) are formed by scattering of X-ray photons off quantized plasma electrons in the strong magnetic field (of the order 1012 G) close to the surface of an accreting X-ray pulsar. Due to the complex scattering cross-sections, the line profiles of CRSFs cannot be described by an analytic expression. Numerical methods, such as Monte Carlo (MC) simulations of the scattering processes, are required in order to predict precise line shapes for a given physical setup, which can be compared to observations to gain information about the underlying physics in these systems. Aims: A versatile simulation code is needed for the generation of synthetic cyclotron lines. Sophisticated geometries should be investigatable by making their simulation possible for the first time. Methods: The simulation utilizes the mean free path tables described in the first paper of this series for the fast interpolation of propagation lengths. The code is parallelized to make the very time-consuming simulations possible on convenient time scales. Furthermore, it can generate responses to monoenergetic photon injections, producing Green's functions, which can be used later to generate spectra for arbitrary continua. Results: We develop a new simulation code to generate synthetic cyclotron lines for complex scenarios, allowing for unprecedented physical interpretation of the observed data. An associated XSPEC model implementation is used to fit synthetic line profiles to NuSTAR data of Cep X-4. The code has been developed with the main goal of overcoming previous geometrical constraints in MC simulations of CRSFs. By applying this code also to more simple, classic geometries used in previous works, we furthermore address issues of code verification and cross-comparison of various models. The XSPEC model and the Green's function tables are available online (see link in footnote, page 1).

  19. SULFATE RADICAL-BASED ADVANCED OXIDATION PROCESSES- ACS MEETING

    This paper will present an overview of sulfate radical-based advanced oxidation technologies for the destruction of environmentally toxic chemicals in wastewater, industrial water, groundwater and sources of water supply. The paper will include fundamental aspects of the generati...

  20. SELECTIVE OXIDATION OF ALCOHOLS - COMPARING DIFFERENT CATALYTIC PROCESSES

    Oxidation of alcohols to aldehydes, ketones or carboxylic acids is one of the most desirable chemical transformations in organic synthesis as these products are important precursors and intermediates for many drugs, vitamins and fragrances. Numerous methods are available for alc...

  1. Multimillion atom simulations of dynamics of oxidation of an aluminum nanoparticle and nanoindentation on ceramics.

    Vashishta, Priya; Kalia, Rajiv K; Nakano, Aiichiro

    2006-03-02

    We have developed a first-principles-based hierarchical simulation framework, which seamlessly integrates (1) a quantum mechanical description based on the density functional theory (DFT), (2) multilevel molecular dynamics (MD) simulations based on a reactive force field (ReaxFF) that describes chemical reactions and polarization, a nonreactive force field that employs dynamic atomic charges, and an effective force field (EFF), and (3) an atomistically informed continuum model to reach macroscopic length scales. For scalable hierarchical simulations, we have developed parallel linear-scaling algorithms for (1) DFT calculation based on a divide-and-conquer algorithm on adaptive multigrids, (2) chemically reactive MD based on a fast ReaxFF (F-ReaxFF) algorithm, and (3) EFF-MD based on a space-time multiresolution MD (MRMD) algorithm. On 1920 Intel Itanium2 processors, we have demonstrated 1.4 million atom (0.12 trillion grid points) DFT, 0.56 billion atom F-ReaxFF, and 18.9 billion atom MRMD calculations, with parallel efficiency as high as 0.953. Through the use of these algorithms, multimillion atom MD simulations have been performed to study the oxidation of an aluminum nanoparticle. Structural and dynamic correlations in the oxide region are calculated as well as the evolution of charges, surface oxide thickness, diffusivities of atoms, and local stresses. In the microcanonical ensemble, the oxidizing reaction becomes explosive in both molecular and atomic oxygen environments, due to the enormous energy release associated with Al-O bonding. In the canonical ensemble, an amorphous oxide layer of a thickness of approximately 40 angstroms is formed after 466 ps, in good agreement with experiments. Simulations have been performed to study nanoindentation on crystalline, amorphous, and nanocrystalline silicon nitride and silicon carbide. Simulation on nanocrystalline silicon carbide reveals unusual deformation mechanisms in brittle nanophase materials, due to

  2. Computerized simulation of sintering process through single geometric arrangements utilization

    Vasconcelos, Vanderley de; Lameiras, Fernando Soares; Vasconcelos, Wander L.

    1995-01-01

    In materials science and engineering, microstructure is of crucial importance in determining the properties and therefore the performance of the designed products. However, the parameters and processes which control microstructural evolution in multi-phase polycrystalline systems have not been systematically examined yet. This is specially true in the case of powder processing of ceramics, where the final microstructure is related not only to the densification process, but also to the characteristics of the green compact, such as particle size distribution and packing density. One way to carry out the study of this problem with the of a computer is to consider the green compact as a periodic arrangement of mono-sized hard spheres, e.g., the simple cubic, the body-centered cubic (b.c.) and the face-centered cubic (f.c.c.) arrays. That simplification allows to foresee the resultant morphology when the array is sintered to full density through a simulation algorithm that allows the spheres to penetrate one another and conserve their mass. Typical powder compacts have a random, rather than regular, structures. An element of randomness is introduced and various parameters for this case (e.g. density, coordination number, morphology) are compared with the simple ones. Thermodynamic features of the simulated microstructures which may reveal which one resembles a more realistic equilibrium configuration are also included. (author). 8 refs., 2 figs

  3. ELSHIM: Program to simulate elastic processes of heavy ions

    Van Ginneken, A.

    1992-05-01

    The Monte Carlo code ELSIM simulates elastic and quasi-elastic, i.e., of limited energy loss, processes of high energy hadrons in a thick target with particular attention to scattering off edges and the like. Its main applications concern accelerator beam loss, beam scraping, etc. Particles which only participate in elastic processes and are then reflected back into the aperture may cause problems elsewhere in the accelerator lattice -- often far removed from where the beam loss occurs. Therefore ELSIM is often run in conjunction with an accelerator tracking program. It can also be used as the first stage in energy deposition studies. For example, when beam is lost in a superconducting magnet ELSIM can provide energy deposition by the incident particles along with a file specifying coordinates and momenta of the inelastic interactions. The latter can then be processed by a program such as CASIM to complete the energy deposition simulation. A new version of this program, called ELSHIM is introduced here which extends ELSIM to include heavy ions as projectiles

  4. RECENT PROGRESS IN DYNAMIC PROCESS SIMULATION OF CRYOGENIC REFRIGERATORS

    Kuendig, A.

    2008-01-01

    At the CEC 2005 a paper with the title ''Helium refrigerator design for pulsed heat load in Tokamaks'' was presented. That paper highlighted the control requirements for cryogenic refrigerators to cope with the expected load variations of future nuclear fusion reactors. First dynamic computer simulations have been presented.In the mean time, the computer program is enhanced and a new series of process simulations are available. The new program considers not only the heat flows and the temperature variations within the heat exchangers, but also the variation of mass flows and pressure drops. The heat transfer numbers now are calculated in dependence of the flow speed and the gas properties. PI-controllers calculate the necessary position of specific valves for maintaining pressures, temperatures and the rotation speed of turbines.Still unsatisfactory is the fact, that changes in the process arrangement usually are attended by adjustments in the program code. It is the main objective of the next step of development a more flexible code which enables that any user defined process arrangements can be assembled by input data

  5. Stochastic simulation of destruction processes in self-irradiated materials

    T. Patsahan

    2017-09-01

    Full Text Available Self-irradiation damages resulting from fission processes are common phenomena observed in nuclear fuel containing (NFC materials. Numerous α-decays lead to local structure transformations in NFC materials. The damages appearing due to the impacts of heavy nuclear recoils in the subsurface layer can cause detachments of material particles. Such a behaviour is similar to sputtering processes observed during a bombardment of the material surface by a flux of energetic particles. However, in the NFC material, the impacts are initiated from the bulk. In this work we propose a two-dimensional mesoscopic model to perform a stochastic simulation of the destruction processes occurring in a subsurface region of NFC material. We describe the erosion of the material surface, the evolution of its roughness and predict the detachment of the material particles. Size distributions of the emitted particles are obtained in this study. The simulation results of the model are in a qualitative agreement with the size histogram of particles produced from the material containing lava-like fuel formed during the Chernobyl nuclear power plant disaster.

  6. Numerical simulation of linear fiction welding (LFW) processes

    Fratini, L.; La Spisa, D.

    2011-05-01

    Solid state welding processes are becoming increasingly important due to a large number of advantages related to joining "unweldable" materials and in particular light weight alloys. Linear friction welding (LFW) has been used successfully to bond non-axisymmetric components of a range of materials including titanium alloys, steels, aluminum alloys, nickel, copper, and also dissimilar material combinations. The technique is useful in the research of quality of the joints and in reducing costs of components and parts of the aeronautic and automotive industries. LFW involves parts to be welded through the relative reciprocating motion of two components under an axial force. In such process the heat source is given by the frictional forces work decaying into heat determining a local softening of the material and proper bonding conditions due to both the temperature increase and the local pressure of the two edges to be welded. This paper is a comparative test between the numerical model in two dimensions, i.e. in plane strain conditions, and in three dimensions of a LFW process of AISI1045 steel specimens. It must be observed that the 3D model assures a faithful simulation of the actual threedimensional material flow, even if the two-dimensional simulation computational times are very short, a few hours instead of several ones as the 3D model. The obtained results were compared with experimental values found out in the scientific literature.

  7. Numerical simulation of linear fiction welding (LFW) processes

    Fratini, L.; La Spisa, D.

    2011-01-01

    Solid state welding processes are becoming increasingly important due to a large number of advantages related to joining ''unweldable'' materials and in particular light weight alloys. Linear friction welding (LFW) has been used successfully to bond non-axisymmetric components of a range of materials including titanium alloys, steels, aluminum alloys, nickel, copper, and also dissimilar material combinations. The technique is useful in the research of quality of the joints and in reducing costs of components and parts of the aeronautic and automotive industries.LFW involves parts to be welded through the relative reciprocating motion of two components under an axial force. In such process the heat source is given by the frictional forces work decaying into heat determining a local softening of the material and proper bonding conditions due to both the temperature increase and the local pressure of the two edges to be welded. This paper is a comparative test between the numerical model in two dimensions, i.e. in plane strain conditions, and in three dimensions of a LFW process of AISI1045 steel specimens. It must be observed that the 3D model assures a faithful simulation of the actual threedimensional material flow, even if the two-dimensional simulation computational times are very short, a few hours instead of several ones as the 3D model. The obtained results were compared with experimental values found out in the scientific literature.

  8. Unusual nonlinear absorption response of graphene oxide in the presence of a reduction process

    Karimzadeh, Rouhollah; Arandian, Alireza

    2015-01-01

    The nonlinear absorption responses of graphene, graphene oxide and reduced graphene oxide are investigated using the Z-scan technique and laser beams at 405, 532 and 635 nm in a continuous wave regime. Results show that graphene, graphene oxide and reduced graphene oxide do not show any open Z-scan signals at wavelengths of 532 and 635 nm. At the same time, fresh graphene oxide suspension is found to exhibit a nonlinear absorption process in the case of a laser light at 405 nm. Moreover, it can be observed that the reduction of graphene oxide by 405 nm laser irradiation decreases its nonlinear absorption value significantly. These findings highlight the important role of the reduction process on the nonlinear absorption performance of graphene oxide. (letter)

  9. Advanced Simulation Technology to Design Etching Process on CMOS Devices

    Kuboi, Nobuyuki

    2015-09-01

    Prediction and control of plasma-induced damage is needed to mass-produce high performance CMOS devices. In particular, side-wall (SW) etching with low damage is a key process for the next generation of MOSFETs and FinFETs. To predict and control the damage, we have developed a SiN etching simulation technique for CHxFy/Ar/O2 plasma processes using a three-dimensional (3D) voxel model. This model includes new concepts for the gas transportation in the pattern, detailed surface reactions on the SiN reactive layer divided into several thin slabs and C-F polymer layer dependent on the H/N ratio, and use of ``smart voxels''. We successfully predicted the etching properties such as the etch rate, polymer layer thickness, and selectivity for Si, SiO2, and SiN films along with process variations and demonstrated the 3D damage distribution time-dependently during SW etching on MOSFETs and FinFETs. We confirmed that a large amount of Si damage was caused in the source/drain region with the passage of time in spite of the existing SiO2 layer of 15 nm in the over etch step and the Si fin having been directly damaged by a large amount of high energy H during the removal step of the parasitic fin spacer leading to Si fin damage to a depth of 14 to 18 nm. By analyzing the results of these simulations and our previous simulations, we found that it is important to carefully control the dose of high energy H, incident energy of H, polymer layer thickness, and over-etch time considering the effects of the pattern structure, chamber-wall condition, and wafer open area ratio. In collaboration with Masanaga Fukasawa and Tetsuya Tatsumi, Sony Corporation. We thank Mr. T. Shigetoshi and Mr. T. Kinoshita of Sony Corporation for their assistance with the experiments.

  10. How processing digital elevation models can affect simulated water budgets

    Kuniansky, E.L.; Lowery, M.A.; Campbell, B.G.

    2009-01-01

    For regional models, the shallow water table surface is often used as a source/sink boundary condition, as model grid scale precludes simulation of the water table aquifer. This approach is appropriate when the water table surface is relatively stationary. Since water table surface maps are not readily available, the elevation of the water table used in model cells is estimated via a two-step process. First, a regression equation is developed using existing land and water table elevations from wells in the area. This equation is then used to predict the water table surface for each model cell using land surface elevation available from digital elevation models (DEM). Two methods of processing DEM for estimating the land surface for each cell are commonly used (value nearest the cell centroid or mean value in the cell). This article demonstrates how these two methods of DEM processing can affect the simulated water budget. For the example presented, approximately 20% more total flow through the aquifer system is simulated if the centroid value rather than the mean value is used. This is due to the one-third greater average ground water gradients associated with the centroid value than the mean value. The results will vary depending on the particular model area topography and cell size. The use of the mean DEM value in each model cell will result in a more conservative water budget and is more appropriate because the model cell water table value should be representative of the entire cell area, not the centroid of the model cell.

  11. Modelisation and numerical simulation for bulk crystal growth processes

    Duffar, F.; Dusserre, P.; Barat, C.; Nabot, J.P.

    1993-01-01

    The aim of this work is to study the relevance of numerical simulation for improving the process control in the field of crystal growth. This investigation focused on the growth of semiconductor and halide crystals by the Bridgman solidification technique, the principle of which is to cool a seeded feed material contained in a crucible, either by pulling the crucible or by decreasing the temperature in the furnace. Calculations are performed with the finite element method, and for comparison, experiments are carried out on Bridgman pulling machines operating either in a laboratory or in industrial plants. Calculations and experimental data have shown a good agreement and a satisfactory reliability

  12. Computer simulation of atomic collision processes in solids

    Robinson, M.T.

    1992-11-01

    Computer simulation is a major tool for studying the interactions of swift ions with solids which underlie processes such as particle backscattering, ion implantation, radiation damage, and sputtering. Numerical models are classed as molecular dynamics or binary collision models, along with some intermediate types. Binary collision models are divided into those for crystalline targets and those for structureless ones. The foundations of such models are reviewed, including interatomic potentials, electron excitations, and relationships among the various types of codes. Some topics of current interest are summarized

  13. Variance reduction techniques in the simulation of Markov processes

    Lessi, O.

    1987-01-01

    We study a functional r of the stationary distribution of a homogeneous Markov chain. It is often difficult or impossible to perform the analytical calculation of r and so it is reasonable to estimate r by a simulation process. A consistent estimator r(n) of r is obtained with respect to a chain with a countable state space. Suitably modifying the estimator r(n) of r one obtains a new consistent estimator which has a smaller variance than r(n). The same is obtained in the case of finite state space

  14. DYSIM - a modular simulation system for continuous dynamic processes

    la Cour Christensen, P.; Kofoed, J.E.; Larsen, N.

    1986-09-01

    The report describes a revised version of a simulation system for continuous processes, DYSIM. In relation to the previous version, which was developed in 1981, the main changes are conversion to Fortran 77 and introduction of modular structure. The latter feature gives the user a possibility for decomposing the model in modules corresponding to well delimited ph ysical units, a feature which gives a better survey of the model. Furthermore, two new integration routines are included in addition to the single one used before. (auth.)

  15. Modelling and simulation of diffusive processes methods and applications

    Basu, SK

    2014-01-01

    This book addresses the key issues in the modeling and simulation of diffusive processes from a wide spectrum of different applications across a broad range of disciplines. Features: discusses diffusion and molecular transport in living cells and suspended sediment in open channels; examines the modeling of peristaltic transport of nanofluids, and isotachophoretic separation of ionic samples in microfluidics; reviews thermal characterization of non-homogeneous media and scale-dependent porous dispersion resulting from velocity fluctuations; describes the modeling of nitrogen fate and transport

  16. Computer aided analysis, simulation and optimisation of thermal sterilisation processes.

    Narayanan, C M; Banerjee, Arindam

    2013-04-01

    Although thermal sterilisation is a widely employed industrial process, little work is reported in the available literature including patents on the mathematical analysis and simulation of these processes. In the present work, software packages have been developed for computer aided optimum design of thermal sterilisation processes. Systems involving steam sparging, jacketed heating/cooling, helical coils submerged in agitated vessels and systems that employ external heat exchangers (double pipe, shell and tube and plate exchangers) have been considered. Both batch and continuous operations have been analysed and simulated. The dependence of del factor on system / operating parameters such as mass or volume of substrate to be sterilised per batch, speed of agitation, helix diameter, substrate to steam ratio, rate of substrate circulation through heat exchanger and that through holding tube have been analysed separately for each mode of sterilisation. Axial dispersion in the holding tube has also been adequately accounted for through an appropriately defined axial dispersion coefficient. The effect of exchanger characteristics/specifications on the system performance has also been analysed. The multiparameter computer aided design (CAD) software packages prepared are thus highly versatile in nature and they permit to make the most optimum choice of operating variables for the processes selected. The computed results have been compared with extensive data collected from a number of industries (distilleries, food processing and pharmaceutical industries) and pilot plants and satisfactory agreement has been observed between the two, thereby ascertaining the accuracy of the CAD softwares developed. No simplifying assumptions have been made during the analysis and the design of associated heating / cooling equipment has been performed utilising the most updated design correlations and computer softwares.

  17. Use of neural networks in process engineering. Thermodynamics, diffusion, and process control and simulation applications

    Otero, F

    1998-01-01

    This article presents the current status of the use of Artificial Neural Networks (ANNs) in process engineering applications where common mathematical methods do not completely represent the behavior shown by experimental observations, results, and plant operating data. Three examples of the use of ANNs in typical process engineering applications such as prediction of activity in solvent-polymer binary systems, prediction of a surfactant self-diffusion coefficient of micellar systems, and process control and simulation are shown. These examples are important for polymerization applications, enhanced-oil recovery, and automatic process control

  18. Analysis of bending process using forming simulation; Seikei simulation ni yoru press niji seikei kaiseki

    Hamaguchi, T; Ogawa, T; Tamai, H [Mazda Motor Corp., Hiroshima (Japan)

    1997-10-01

    FEM simulation system is becoming an effective tool in the production engineering, especially in the evaluation of press formability. We have been applying it to the evaluation of defect phenomena, such as breakage and wrinkling, which occur in the drawing process to produce auto body parts. We tried a new application which treat dimensional precision and the other defect in the flanging or bending process after trimming. In this paper, we introduced the result of development and an example applied in the analysis. 1 refs., 8 figs.

  19. Simulation of the induction of oxidation of low-density lipoprotein by high copper concentrations: evidence for a nonconstant rate of initiation.

    Abuja, P M; Albertini, R; Esterbauer, H

    1997-06-01

    Kinetic simulation can help obtain deeper insight into the molecular mechanisms of complex processes, such as lipid peroxidation (LPO) in low-density lipoprotein (LDL). We have previously set up a single-compartment model of this process, initiating with radicals generated externally at a constant rate to show the interplay of radical scavenging and chain propagation. Here we focus on the initiating events, substituting constant rate of initiation (Ri) by redox cycling of Cu2+ and Cu+. Our simulation reveals that early events in copper-mediated LDL oxidation include (1) the reduction of Cu2+ by tocopherol (TocOH) which generates tocopheroxyl radical (TocO.), (2) the fate of TocO. which either is recycled or recombines with lipid peroxyl radical (LOO.), and (3) the reoxidation of Cu+ by lipid hydroperoxide which results in alkoxyl radical (LO.) formation. So TocO., LOO., and LO. can be regarded as primordial radicals, and the sum of their formation rates is the total rate of initiation, Ri. As experimental information of these initiating events cannot be obtained experimentally, the whole model was validated experimentally by comparison of LDL oxidation in the presence and absence of bathocuproine as predicted by simulation. Simulation predicts that Ri decreases by 2 orders of magnitude during lag time. This has important consequences for the estimation of oxidation resistance in copper-mediated LDL oxidation: after consumption of tocopherol, even small amounts of antioxidants may prolong the lag phase for a considerable time.

  20. Monte Carlo radiative transfer simulation of a cavity solar reactor for the reduction of cerium oxide

    Villafan-Vidales, H.I.; Arancibia-Bulnes, C.A.; Dehesa-Carrasco, U. [Centro de Investigacion en Energia, Universidad Nacional Autonoma de Mexico, Privada Xochicalco s/n, Col. Centro, A.P. 34, Temixco, Morelos 62580 (Mexico); Romero-Paredes, H. [Departamento de Ingenieria de Procesos e Hidraulica, Universidad Autonoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco No.186, Col. Vicentina, A.P. 55-534, Mexico D.F 09340 (Mexico)

    2009-01-15

    Radiative heat transfer in a solar thermochemical reactor for the thermal reduction of cerium oxide is simulated with the Monte Carlo method. The directional characteristics and the power distribution of the concentrated solar radiation that enters the cavity is obtained by carrying out a Monte Carlo ray tracing of a paraboloidal concentrator. It is considered that the reactor contains a gas/particle suspension directly exposed to concentrated solar radiation. The suspension is treated as a non-isothermal, non-gray, absorbing, emitting, and anisotropically scattering medium. The transport coefficients of the particles are obtained from Mie-scattering theory by using the optical properties of cerium oxide. From the simulations, the aperture radius and the particle concentration were optimized to match the characteristics of the considered concentrator. (author)