Search results for: plug flow reactor.

Authors: Krasimir I. Ivanov, Elitsa N. Kolentsova, Dimitar Y. Dimitrov, Petya Ts. Petrova, Tatyana T. Tabakova

Abstract:

This work studies the effect of chemical composition on the activity and selectivity of γ–alumina supported CuO/ MnO2/Cr2O3 catalysts toward deep oxidation of CO, dimethyl ether (DME) and methanol. The catalysts were prepared by impregnation of the support with an aqueous solution of copper nitrate, manganese nitrate and CrO3 under different conditions. Thermal, XRD and TPR analysis were performed. The catalytic measurements of single compounds oxidation were carried out on continuous flow equipment with a four-channel isothermal stainless steel reactor. Flow-line equipment with an adiabatic reactor for simultaneous oxidation of all compounds under the conditions that mimic closely the industrial ones was used. The reactant and product gases were analyzed by means of on-line gas chromatographs. On the basis of XRD analysis it can be concluded that the active component of the mixed Cu-Mn-Cr/γ–alumina catalysts consists of at least six compounds – CuO, Cr2O3, MnO2, Cu1.5Mn1.5O4, Cu1.5Cr1.5O4 and CuCr2O4, depending on the Cu/Mn/Cr molar ratio. Chemical composition strongly influences catalytic properties, this influence being quite variable with regards to the different processes. The rate of CO oxidation rapidly decrease with increasing of chromium content in the active component while for the DME was observed the reverse trend. It was concluded that the best compromise are the catalysts with Cu/(Mn + Cr) molar ratio 1:5 and Mn/Cr molar ratio from 1:3 to 1:4.

Keywords: Copper-manganese-chromium oxide catalysts, CO, deep oxidation, volatile organic compounds.

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Authors: Takeshi Takeda

Abstract:

An experiment was performed for the OECD/NEA ROSA-2 Project employing the ROSA/LSTF (rig of safety assessment/large-scale test facility), which simulated a steam generator tube rupture (SGTR) accident induced by main steam line break (MSLB) with operator recovery actions in a pressurized water reactor (PWR). The primary pressure decreased to the pressure level nearly-equal to the intact steam generator (SG) secondary-side pressure even with coolant injection from the high-pressure injection (HPI) system of emergency core cooling system (ECCS) into cold legs. Multi-dimensional coolant behavior appeared such as thermal stratification in both hot and cold legs in intact loop. The RELAP5/MOD3.3 code indicated the insufficient predictions of the primary pressure, the SGTR break flow rate, and the HPI flow rate, and failed to predict the fluid temperatures in the intact loop hot and cold legs. Results obtained from the comparison among three LSTF SGTR-related tests clarified that the thermal stratification occurs in the horizontal legs by different mechanisms.

Keywords: LSTF, SGTR, thermal stratification, RELAP5.

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Authors: Bothinah Altaf, Gary Montague, Elaine B. Martin

Abstract:

This study involves the modeling and monitoring of an ammonia synthesis fixed-bed reactor using partial least squares (PLS) and its variants. The process exhibits complex dynamic behavior due to the presence of heat recycling and feed quench. One limitation of static PLS model in this situation is that it does not take account of the process dynamics and hence dynamic PLS was used. Although it showed, superior performance to static PLS in terms of prediction, the monitoring scheme was inappropriate hence adaptive PLS was considered. A limitation of adaptive PLS is that non-conforming observations also contribute to the model, therefore, a new adaptive approach was developed, robust adaptive dynamic PLS. This approach updates a dynamic PLS model and is robust to non-representative data. The developed methodology showed a clear improvement over existing approaches in terms of the modeling of the reactor and the detection of faults.

Keywords: Ammonia synthesis fixed-bed reactor, dynamic partial least squares modeling, recursive partial least squares, robust modeling.

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Authors: Liu Xuedong , Liu Zhiyan

Abstract:

When the crisscross baffles and logarithmic spiral baffles are placed on the bottom of the stirred tank with elliptic bottom, using CFD software FLUENT simulates the velocity field of the stirred tank with elliptic bottom and bottom baffles. Compare the velocity field of stirred tank with bottom crisscross baffle to the velocity field of stirred tank without bottom baffle and analysis the flow pattern on the same axis-section and different cross-sections. The sizes of the axial and radial velocity are compared respectively when the stirred tank with bottom crisscross baffles, bottom logarithmic spiral baffles and without bottom baffle. At the same time, the numerical calculations of mixing power are compared when the stirred tank with bottom crisscross baffles and bottom logarithmic spiral baffles. Research shows that bottom crisscross baffles and logarithmic spiral baffles have a great impact on flow pattern within the reactor and improve the mixing effect better than without baffle. It also has shown that bottom logarithmic spiral baffles has lower power consumption than bottom crisscross baffles.

Keywords: Bottom baffle, Flow field, Numerical simulation, Stirred tank.

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Authors: Ali W. Alattabi, Khalid S. Hashim, Hassnen M. Jafer, Ali Alzeyadi

Abstract:

This study was performed to optimise the react time (RT) and study its effects on the removal rates of nitrogen compounds in a sequencing batch reactor (SBR) treating synthetic industrial wastewater. The results showed that increasing the RT from 4 h to 10, 16 and 22 h significantly improved the nitrogen compounds’ removal efficiency, it was increased from 69.5% to 95%, 75.7 to 97% and from 54.2 to 80.1% for NH₃-N, NO₃-N and NO₂-N respectively. The results obtained from this study showed that the RT of 22 h was the optimum for nitrogen compounds removal efficiency.

Keywords: Ammonia-nitrogen, retention time, nitrate, nitrite, sequencing batch reactor, sludge characteristics.

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Authors: Mohamed Hafid, Marcel Lacroix

Abstract:

This study presents an inverse analysis for predicting the thermal conductivities and the heat flux of a high-temperature metallurgical reactor simultaneously. Once these thermal parameters are predicted, the time-varying thickness of the protective phase-change bank that covers the inside surface of the brick walls of a metallurgical reactor can be calculated. The enthalpy method is used to solve the melting/solidification process of the protective bank. The inverse model rests on the Levenberg-Marquardt Method (LMM) combined with the Broyden method (BM). A statistical analysis for the thermal parameter estimation is carried out. The effect of the position of the temperature sensors, total number of measurements and measurement noise on the accuracy of inverse predictions is investigated. Recommendations are made concerning the location of temperature sensors.

Keywords: Inverse heat transfer, phase change, metallurgical reactor, Levenberg–Marquardt method, Broyden method, bank thickness.

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Authors: C. Phalakornkule, S. Polgumhang, W. Tongdaung

Abstract:

This study presents an investigation of electrochemical variables and an application of the optimal parameters in operating a continuous upflow electrocoagulation reactor in removing dye. Direct red 23, which is azo-based, was used as a representative of direct dyes. First, a batch mode was employed to optimize the design parameters: electrode type, electrode distance, current density and electrocoagulation time. The optimal parameters were found to be iron anode, distance between electrodes of 8 mm and current density of 30 A·m-2 with contact time of 5 min. The performance of the continuous upflow reactor with these parameters was satisfactory, with >95% color removal and energy consumption in the order of 0.6-0.7 kWh·m-3.

Keywords: Decolorization, Direct Dye, Electrocoagulation, Textile Wastewater, Upflow Reactor.

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Authors: A. Soria-Verdugo, M. Rubio-Rubio, J. Arrieta, N. García-Hernando

Abstract:

Combustion of biomass is a promising alternative to reduce the high pollutant emission levels associated to the combustion of fossil flues due to the net null emission of CO₂ attributed to biomass. However, the biomass selected should also have low contents of nitrogen and sulfur to limit the NO_x and SO_x emissions derived from its combustion. In this sense, olive stone is an excellent fuel to power combustion reactors with reduced levels of pollutant emissions. In this work, the combustion of olive stone particles is analyzed experimentally in a thermogravimetric analyzer (TGA) and in a bubbling fluidized bed reactor (BFB). The bubbling fluidized bed reactor was installed over a scale, conforming a macro-TGA. In both equipment, the evolution of the mass of the samples was registered as the combustion process progressed. The results show a much faster combustion process in the bubbling fluidized bed reactor compared to the thermogravimetric analyzer measurements, due to the higher heat transfer coefficient and the abrasion of the fuel particles by the bed material in the BFB reactor.

Keywords: Olive stone, combustion, reaction rate, thermogravimetric analysis, fluidized bed.

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Authors: Mohd Hazwan bin Yusof, Hiroshi Katanoda

Abstract:

In order to clarify the structure of the cold flow discharged from the vortex tube (VT), the pressure of the cold flow was measured, and a simple flow visualization technique using a 0.75mm-diameter needle and an oily paint is made to study the reverse flow at the cold exit. It is clear that a negative pressure and positive pressure region exist at a certain pressure and cold fraction area, and that a reverse flow is observed in the negative pressure region.

Keywords: Flow visualization, Pressure measurement, Reverse flow, Vortex tube.

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Authors: A. Chaudhuri, C. Guha, T. K. Dutta

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Pressure driven microscale gas flow-separation has been investigated by solving the compressible Navier-Stokes (NS) system of equations. A two dimensional explicit finite volume (FV) compressible flow solver has been developed using modified advection upwind splitting methods (AUSM+) with no-slip/first order Maxwell-s velocity slip conditions to predict the flowseparation behavior in microdimensions. The effects of scale-factor of the flow geometry and gas species on the microscale gas flowseparation have been studied in this work. The intensity of flowseparation gets reduced with the decrease in scale of the flow geometry. In reduced dimension, flow-separation may not at all be present under similar flow conditions compared to the larger flow geometry. The flow-separation patterns greatly depend on the properties of the medium under similar flow conditions.

Keywords: AUSM+, FVM, Flow-separation, Microflow.

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Authors: Tadashi Watanabe

Abstract:

The two-phase flow field and the motion of the free surface in an oscillating channel are simulated numerically to assess the methodology for simulating nuclear reacotr thermal hydraulics under seismic conditions. Two numerical methods are compared: one is to model the oscillating channel directly using the moving grid of the Arbitrary Lagrangian-Eulerian method, and the other is to simulate the effect of channel motion using the oscillating acceleration acting on the fluid in the stationary channel. The two-phase flow field in the oscillating channel is simulated using the level set method in both cases. The calculated results using the oscillating acceleration are found to coinside with those using the moving grid, and the theoretical back ground and the limitation of oscillating acceleration are discussed. It is shown that the change in the interfacial area between liquid and gas phases under seismic conditions is important for nuclear reactor thermal hydraulics.

Keywords: Two-phase flow, simulation, seismic condition, moving grid, oscillating acceleration, interfacial area

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Authors: Mehdi Fuladipanah, Mehdi Jorabloo

Abstract:

Water flow management is one of the most important parts of river engineering. Non-uniformity distribution of rainfall and various flow demand with unreasonable flow management will be caused destroyed of river ecosystem. Then, it is very serious to determine ecosystem flow requirement. In this paper, Flow duration curve indices method which has hydrological based was used to evaluate environmental flow in Gharasou River, Ardabil, Iran. Using flow duration curve, Q90 and Q95 for different return periods were calculated. Their magnitude were determined as 1-day, 3-day, 7-day and 30 day. According the second method, hydraulic alteration indices often had low and medium range. In order to maintain river at an acceptable ecological condition, minimum daily discharge of index Q95 is 0.7 m3.s-1.

Keywords: Ardabil, Environmental flow, Flow Duration Curve, Gharasou River.

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Authors: Syahanim Mohd Salleh, Zaihosnita Hood, Hairulliza Mohd Judi, Marini Abu Bakar

Abstract:

CFlow is a flow chart software, it contains facilities to draw and evaluate a flow chart. A flow chart evaluation applies a simulation method to enable presentation of work flow in a flow chart solution. Flow chart simulation of CFlow is executed by manipulating the CFlow data file which is saved in a graphical vector format. These text-based data are organised by using a data classification technic based on a Library classification-scheme. This paper describes the file format for flow chart simulation software of CFlow.

Keywords: CFlow, flow chart, file format.

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Authors: Xiaolai Zhang, Haitao Zhang, Qiwen Sun, Weixin Qian, Weiyong Ying

Abstract:

High temperature Fischer-Tropsch synthesis process use fixed fluidized bed as a reactor. In order to understand the flow behavior in the fluidized bed better, the research of how the radial velocity affects the entire flow field is necessary. Laser Doppler Velocimetry (LDV) was used to study the radial velocity distribution along the diameter direction of the cross-section of the particle in a fixed fluidized bed. The velocity in the cross-section is fluctuating within a small range. The direction of the speed is a random phenomenon. In addition to r/R is 1, the axial velocity are more than 6 times of the radial velocity, the radial velocity has little impact on the axial velocity in a fixed fluidized bed.

Keywords: LDV, fixed fluidized bed, velocity, Fischer-Tropsch synthesis.

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Authors: Keuk Jong Yu, Sang Hee Kang, Sung Chang You

Abstract:

In Korea, the technology of a load fo nuclear power plant has been being developed. automatic controller which is able to control temperature and axial power distribution was developed. identification algorithm and a model predictive contact former transforms the nuclear reactor status into numerically. And the latter uses them and ge manipulated values such as two kinds of control ro this automatic controller, the performance of a coperation was evaluated. As a result, the automatic generated model parameters of a nuclear react to nuclear reactor average temperature and axial power the desired targets during a daily load follow.

Keywords: axial power distribution, model reactor temperature, system identification

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Authors: Algirdas Jasinskas, Egidijus Šarauskis, Raimondas Šarauskis, Antanas Sakalauskas

Abstract:

This paper presents the new results of energy plant – rye and triticale at yellow ripeness and ripe, pre-treatment in high pressure steam reactor and monosaccharide extraction. There were investigated the influence of steam pressure (20 to 22 bar), retention duration (180 to 240 s) and catalytic sulphuric acid concentration strength (0 to 0.5 %) on the pre-treatment process, contents of monosaccharides (glucose, arabinose, xylose, mannose) and undesirable by-compounds (furfural and HMF) in the reactor. The study has determined that the largest amount of monosaccharides (37.2 % of glucose, 2.7 % of arabinose, 8.4 % of xylose, and 1.3 % of mannose) was received in the rye at ripe, the samples of which were mixed with 0.5 % concentration of catalytic sulphuric acid, and hydrolysed in the reactor, where the pressure was 20 bar, whereas the reaction time – 240 s.

Keywords: Bioethanol, Pre-treatment, Rye, Triticale.

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Authors: A. J. Nazari, S. Honma

Abstract:

This paper evaluates oil displacement by water in Hauterivian sandstone reservoir of Kashkari oil field in North of Afghanistan. The core samples of this oil field were taken out from well No-21^st, and the relative permeability and fractional flow are analyzed. Steady state flow laboratory experiments are performed to empirically obtain the fractional flow curves and relative permeability in different water saturation ratio. The relative permeability represents the simultaneous flow behavior in the reservoir. The fractional flow approach describes the individual phases as fractional of the total flow. The fractional flow curve interprets oil displacement by water, and from the tangent of fractional flow curve can find out the average saturation behind the water front flow saturation. Therefore, relative permeability and fractional flow curves are suitable for describing the displacement of oil by water in a petroleum reservoir. The effects of irreducible water saturation, residual oil saturation on the displaceable amount of oil are investigated through Buckley-Leveret analysis.

Keywords: Fractional flow, oil displacement, relative permeability, simultaneously flow.

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Authors: Saeed Hosseini, Ali Reza Tahavvor

Abstract:

Sound processing is one the subjects that newly attracts a lot of researchers. It is efficient and usually less expensive than other methods. In this paper the flow generated sound is used to estimate the flow speed of free flows. Many sound samples are gathered. After analyzing the data, a parameter named wave power is chosen. For all samples the wave power is calculated and averaged for each flow speed. A curve is fitted to the averaged data and a correlation between the wave power and flow speed is found. Test data are used to validate the method and errors for all test data were under 10 percent. The speed of the flow can be estimated by calculating the wave power of the flow generated sound and using the proposed correlation.

Keywords: Flow generated sound, sound processing, speed, wave power.

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Authors: Akram Golestani, Mohammad Kazemeini, Farhad Khorasheh, Moslem Fattahi

Abstract:

Modeling and simulation of fixed bed three-phase catalytic reactors are considered for wet air catalytic oxidation of phenol to perform a comparative numerical analysis between tricklebed and packed-bubble column reactors. The modeling involves material balances both for the catalyst particle as well as for different fluid phases. Catalyst deactivation is also considered in a transient reactor model to investigate the effects of various parameters including reactor temperature on catalyst deactivation. The simulation results indicated that packed-bubble columns were slightly superior in performance than trickle beds. It was also found that reaction temperature was the most effective parameter in catalyst deactivation.

Keywords: Catalyst deactivation, Catalytic wet air oxidation, Trickle-bed, Wastewater.

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Authors: Camila da Silva, Simone Belorte de Andrade, Vitor Augusto dos Santos Garcia, Vladimir Ferreira Cabral, J. Vladimir Oliveira Lúcio Cardozo-Filho

Abstract:

In the present study, the non-catalytic transesterification of soybean oil in continuous mode using supercritical ethanol were investigated. Experiments were performed in a packed-bed tubular reactor (PBTR) and variable studied were reaction temperature (523 K to 598 K), pressure (10 MPa to 20 MPa), oil to ethanol molar ratio (1:10 to 1:40) and water concentration (0 wt% to 10 wt% in ethanol). Results showed that ethyl esters yields obtained in the PBTR were higher (> 20 wt%) than those verified in a tubular reactor (TR), due to improved mass transfer conditions attained in the PBTR. Results demonstrated that temperature, pressure, oil to ethanol molar ratio and water concentration had a positive effect on fatty acid ethyl esters (FAEE) production in the experimental range investigated, with appreciable reaction yields (90 wt%) achieved at 598 K, 20 MPa, oil to ethanol molar ratio of 1:40 and 10 wt% of water concentration.

Keywords: Packed bed reactor, ethyl esters, continuous process, catalyst-free process.

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Authors: S. GhaffariTooran, H. Abolghasemi, H. Bahmanyar, M. Esmaeili, A. Safari

Abstract:

Using plug flow model in conjunction with experimental solute concentration profiles, overall volumetric mass transfer coefficient based on continuous phase (Koca), in a packed liquid-liquid extraction column has been optimized. Number of 12 experiments has been done using standard system of water/acid acetic/toluene in a 6 cm diameter, 120 cm height column. Thorough consideration of influencing parameters we intended to correlate dimensionless parameters in term of overall Sherwood number which has an acceptable average error of about 15.8%.

Keywords: Packed column, mass transfer coefficient, solvent extraction, Sherwood number.

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Authors: Malika.D Kedir-Talha, Mohamed Mehenni

Abstract:

In order to be able to automatically differentiate between two modes of permanent flow of a liquid simulating blood, it was imperative to put together a data bank. Thus, the acquisition of the various amplitude spectra of the Doppler signal of this liquid in laminar flow and other spectra in turbulent flow enabled us to establish an automatic difference between the two modes. According to the number of parameters and their nature, a comparative study allowed us to choose the best classifier.

Keywords: Doppler spectrum, flow mode, pattern recognition, permanent flow.

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Authors: M. Tahar Bouzaher

Abstract:

This study involves a numerical simulation of the flow around a NACA2415 airfoil, with a 15°angle of attack, and flow separation control using a rod, It reposes inputting a cylindrical rod upstream of the leading edge in order to accelerate the transition of the boundary layer by interaction between the rod wake and the boundary layer. The viscous, non-stationary flow is simulated using ANSYS FLUENT 13. Our results showed a substantial modification in the flow behavior and a maximum drag reduction of 51%.

Keywords: CFD, Flow separation, Active control, Boundary layer, rod, NACA 2415.

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Authors: E.Darzi

Abstract:

In this study, a reformer model simulation to use refinery (Farashband refinery, Iran) waste natural gas. In the petroleum and allied sectors where natural gas is being encountered (in form of associated gas) without prior preparation for its positive use, its combustion (which takes place in flares, an equipment through which they are being disposed) has become a great problem because of its associated environmental problems in form of gaseous emission. The proposed model is used to product syngas from waste natural gas. A detailed steady model described by a set of ordinary differential and algebraic equations was developed to predict the behavior of the overall process. The proposed steady reactor model was validated against process data of a reformer synthesis plant recorded and a good agreement was achieved. H2/CO ratio has important effect on Fischer- Tropsch synthesis reactor product and we try to achieve this parameter with best designing reformer reactor. We study different kind of reformer reactors and then select auto thermal reforming process of natural gas in a fixed bed reformer that adjustment H2/CO ratio with CO2 and H2O injection. Finally a strategy was proposed for prevention of extra natural gas to atmosphere.

Keywords: Fischer-Tropsch, injection, reformer, syngas, waste natural gas.

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Authors: Cheng-Chi Yu, Chi-Shiun Chiou

Abstract:

This study developed a plug-in hybrid powertrain system which consisted of two continuous variable transmissions. By matching between the engine, motor, generator, and dual continuous variable transmissions, this integrated power system can take advantages of the components. The hybrid vehicle can be driven by the internal combustion engine, or electric motor alone, or by these two power sources together when the vehicle is driven in hard acceleration or high load. The energy management of this integrated hybrid system controls the power systems based on rule-based control strategy to achieve better fuel economy. When the vehicle driving power demand is low, the internal combustion engine is operating in the low efficiency region, so the internal combustion engine is shut down, and the vehicle is driven by motor only. When the vehicle driving power demand is high, internal combustion engine would operate in the high efficiency region; then the vehicle could be driven by internal combustion engine. This strategy would operate internal combustion engine only in optimal efficiency region to improve the fuel economy. In this research, the vehicle simulation model was built in MATLAB/ Simulink environment. The analysis results showed that the power coupled efficiency of the hybrid powertrain system with dual continuous variable transmissions was better than that of the Honda hybrid system on the market.

Keywords: Plug-in hybrid power system, fuel economy, performance, continuous variable transmission.

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Authors: Takeshi Takeda

Abstract:

A separate effect test (SET) simulated natural circulation (NC) under high core power condition of a pressurized water reactor (PWR) utilizing the ROSA/LSTF (rig of safety assessment/large-scale test facility). The LSTF test results clarified the relationship between the primary loop mass inventory and the primary loop mass flow rate being dependent on the NC mode at a constant core power of 8% of the volumetric-scaled PWR nominal power. When the core power was 9% or more during reflux condensation, large-amplitude level oscillation in a form of slow fill and dump occurred in steam generator (SG) U-tubes. At 11% core power during reflux condensation, intermittent rise took place in the cladding surface temperature of simulated fuel rods. The RELAP5/MOD3.3 code indicated the insufficient prediction of the SG U-tube liquid level behavior during reflux condensation.

Keywords: LSTF, natural circulation, core power, RELAP5.

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Authors: Shima Rajabi, Leila Vafajoo

Abstract:

Compost manufacturing plants are one of units where wastewater is produced in significantly large amounts. Wastewater produced in these plants contains high amounts of substrate (organic loads) and is classified as stringent waste which creates significant pollution when discharged into the environment without treatment. A compost production plant in the one of the Iran-s province treating 200 tons/day of waste is one of the most important environmental pollutant operations in this zone. The main objectives of this paper are to investigate the compost wastewater treatability in hybrid anaerobic reactors with an upflow-downflow arrangement, to determine the kinetic constants, and eventually to obtain an appropriate mathematical model. After starting the hybrid anaerobic reactor of the compost production plant, the average COD removal rate efficiency was 95%.

Keywords: Leachate treatment, anaerobic hybrid reactor

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Authors: Fu E. Tang, Daoyi Chen

Abstract:

Experimental investigations were carried out in the Manchester Tidal flow Facility (MTF) to study the flow patterns in the region around and adjacent to a hypothetical headland in tidal (oscillatory) ambient flow. The Planar laser-induced fluorescence (PLIF) technique was used for visualization, with fluorescent dye released at specific points around the headland perimeter and in its adjacent recirculation zone. The flow patterns can be generalized into the acceleration, stable flow and deceleration stages for each halfcycle, with small variations according to location, which are more distinct for low Keulegan-Carpenter number (KC) cases. Flow patterns in the mixing region are unstable and complex, especially in the recirculation zone. The flow patterns are in agreement with previous visualizations, and support previous results in steady ambient flow. It is suggested that the headland lee could be a viable location for siting of pollutant outfalls.

Keywords: Planar laser-induced Fluorescence, recirculation zone, tidal flow, wake flows

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Authors: Zineddine Bouyahiaoui, Rabah Haoui

Abstract:

The aim of this work is to analyze a flow around the axisymmetric blunt body taken into account the chemical and vibrational nonequilibrium flow. This work concerns the entry of spacecraft in the atmosphere of the planet Mars. Since the equations involved are non-linear partial derivatives, the volume method is the only way to solve this problem. The choice of the mesh and the CFL is a condition for the convergence to have the stationary solution.

Keywords: Hypersonic flow, nonequilibrium flow, shock wave, blunt body.

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Authors: H. Zare Aliabadi

Abstract:

The equilibrium chemical reactions taken place in a converter reactor of the Khorasan Petrochemical Ammonia plant was studied using the minimization of Gibbs free energy method. In the minimization of the Gibbs free energy function the Davidon– Fletcher–Powell (DFP) optimization procedure using the penalty terms in the well-defined objective function was used. It should be noted that in the DFP procedure along with the corresponding penalty terms the Hessian matrices for the composition of constituents in the Converter reactor can be excluded. This, in fact, can be considered as the main advantage of the DFP optimization procedure. Also the effect of temperature and pressure on the equilibrium composition of the constituents was investigated. The results obtained in this work were compared with the data collected from the converter reactor of the Khorasan Petrochemical Ammonia plant. It was concluded that the results obtained from the method used in this work are in good agreement with the industrial data. Notably, the algorithm developed in this work, in spite of its simplicity, takes the advantage of short computation and convergence time.

Keywords: Gibbs free energy, converter reactors, Chemical equilibrium

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