Search results for: Iron Ore Reactor
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 588

Search results for: Iron Ore Reactor

288 Investigation on Fischer-Tropsch Synthesis over Cobalt-Gadolinium Catalyst

Authors: Jian Huang, Weixin Qian, Haitao Zhang, Weiyong Ying

Abstract:

Cobalt-gadolinium catalyst for Fischer-Tropsch synthesis was prepared by impregnation method with commercial silica gel, and its texture properties were characterized by BET, XRD, and TPR. The catalytic performance of the catalyst was tested in a fixed bed reactor. The results showed that the addition of gadolinium to the cobalt catalyst might decrease the size of cobalt particles, and increased the dispersion of catalytic active cobalt phases. The carbon number distributions for the catalysts was calculated by ASF equation.

Keywords: Fischer-Tropsch synthesis, cobalt-based catalysts, gadolinium, carbon number distributions.

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287 The removal of Ni, Cu and Fe from a Mixed Metal System using Sodium Hypophosphite as a Reducing Agent

Authors: Promise Sethembiso Ngema, Freeman Ntuli, Mohamed Belaid

Abstract:

The main objective of this study was to remove and recover Ni, Cu and Fe from a mixed metal system using sodium hypophosphite as a reducing agent and nickel powder as seeding material. The metal systems studied consisted of Ni-Cu, Ni-Fe and Ni-Cu-Fe solutions. A 5 L batch reactor was used to conduct experiments where 100 mg/l of each respective metal was used. It was found that the metals were reduced to their elemental form with removal efficiencies of over 80%. The removal efficiency decreased in the order Fe>Ni>Cu. The metal powder obtained contained between 97-99% Ni and was almost spherical and porous. Size enlargement by aggregation was the dominant particulate process.

Keywords: crystallization, electroless plating, heavy metal removal, wastewater treatment

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286 Rapid Processing Techniques Applied to Sintered Nickel Battery Technologies for Utility Scale Applications

Authors: J. D. Marinaccio, I. Mabbett, C. Glover, D. Worsley

Abstract:

Through use of novel modern/rapid processing techniques such as screen printing and Near-Infrared (NIR) radiative curing, process time for the sintering of sintered nickel plaques, applicable to alkaline nickel battery chemistries, has been drastically reduced from in excess of 200 minutes with conventional convection methods to below 2 minutes using NIR curing methods. Steps have also been taken to remove the need for forming gas as a reducing agent by implementing carbon as an in-situ reducing agent, within the ink formulation.

Keywords: Batteries, energy, iron, nickel, storage.

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285 The Canaanite Trade Network between the Shores of the Mediterranean Sea

Authors: Doaa El-Shereef

Abstract:

The Canaanite civilization was one of the early great civilizations of the Near East, they influenced and been influenced from the civilizations of the ancient world especially the Egyptian and Mesopotamia civilizations. The development of the Canaanite trade started from the Chalcolithic Age to the Iron Age through the oldest trade route in the Middle East. This paper will focus on defining the Canaanites and from where did they come from and the meaning of the term Canaan and how the Ancient Manuscripts define the borders of the land of Canaan and this essay will describe the Canaanite trade route and their exported goods such as cedar wood, and pottery.

Keywords: Canaan, cedar, Djahy, pottery, Retjenu, trade.

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284 Evaluation of Corrosion by Impedance Spectroscopy of Embedded Steel in an Alternative Concrete Exposed to the Chloride Ion

Authors: Erika J. Ruíz, Jairo R. Cortes, Willian A. Aperador

Abstract:

In this article was evaluated the protective effect of the alternative concrete obtained from the binary mixture of fly ash, and iron and steel slag. After mixing the cement with aggregates, structural steel was inserted in the matrix cementitious. The study was conducted comparatively with specimens exposed to natural conditions free of chloride ion. The chloride ion effect on the specimens accelerated under controlled conditions (3.5% NaCl and 25°C temperature). The impedance data were acquired in a range of 1 mHz to 100 kHz.

Keywords: Alternative concrete, corrosion, alkaline activation.

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283 Hydrogenation of Acetic Acid on Alumina-Supported Pt-Sn Catalysts

Authors: Ke Zhang, Fang Li, Haitao Zhang, Hongfang Ma, Weiyong Ying, Dingye Fang

Abstract:

Three alumina-supported Pt-Sn catalysts have been prepared by means of co-impregnation and characterized by XRD and N2 adsorption. The influence of catalyst composition and reaction conditions on the conversion and selectivity were investigated in the hydrogenation of acetic acid in an isothermal integral fixed bed reactor. The experiments were performed on the temperature interval 468-548 K, liquid hourly space velocity (LHSV) of 0.3-0.7h-1, pressures between 1.0 and 5.0Mpa. A good compromise of 0.75%Pt-1.5%Sn can act as an optimized acetic acid hydrogenation catalyst, and the conversion and selectivity can be tuned through the variation of reaction conditions.

Keywords: Acetic acid, hydrogenation, Pt-Sn catalysts, ethanol.

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282 Efficient Use of Energy through Incorporation of a Gas Turbine in Methanol Plant

Authors: M. Azadi, N. Tahouni, M. H. Panjeshahi

Abstract:

A techno-economic evaluation for efficient use of energy in a large scale industrial plant of methanol is carried out. This assessment is based on integration of a gas turbine with an existing plant of methanol in which the outlet gas products of exothermic reactor is expanded to power generation. Also, it is decided that methanol production rate is constant through addition of power generation system to the existing methanol plant. Having incorporated a gas turbine with the existing plant, the economic results showed total investment of MUSD 16.9, energy saving of 3.6 MUSD/yr with payback period of approximately 4.7 years.

Keywords: Energy saving, Gas turbine, Methanol, Power generation.

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281 Hydrogen Generation by Accelerating Aluminum Corrosion in Water with Alumina

Authors: J. Skrovan, A. Alfantazi, T. Troczynski

Abstract:

For relatively small particles of aluminum (<60 μm), a measurable percentage of the aluminum (>5%) is observed to corrode before passivation occurs at moderate temperatures (>50oC) in de-ionized water within one hour. Physical contact with alumina powder results in a significant increase in both the rate of corrosion and the extent of corrosion before passivation. Whereas the resulting release of hydrogen gas could be of commercial interest for portable hydrogen supply systems, the fundamental aspects of Al corrosion acceleration in presence of dispersed alumina particles are equally important. This paper investigates the effects of various amounts of alumina on the corrosion rate of aluminum powders in water and the effect of multiple additions of aluminum into a single reactor.

Keywords: Alumina, Aluminum, Corrosion, Hydrogen

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280 PSO Based Optimal Design of Fractional Order Controller for Industrial Application

Authors: Rohit Gupta, Ruchika

Abstract:

In this paper, a PSO based fractional order PID (FOPID) controller is proposed for concentration control of an isothermal Continuous Stirred Tank Reactor (CSTR) problem. CSTR is used to carry out chemical reactions in industries, which possesses complex nonlinear dynamic characteristics. Particle Swarm Optimization algorithm technique, which is an evolutionary optimization technique based on the movement and intelligence of swarm is proposed for tuning of the controller for this system. Comparisons of proposed controller with conventional and fuzzy based controller illustrate the superiority of proposed PSO-FOPID controller.

Keywords: CSTR, Fractional Order PID Controller, Partical Swarm Optimization.

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279 Photo-Fenton Treatment of 1,3-dichloro-2- Propanol Aqueous Solutions Using UV Radiation and H2O2 – A Kinetic Study

Authors: Maria D. Nikolaki, Katerina N. Zerva, Constantine. J. Philippopoulos

Abstract:

The photochemical and photo-Fenton oxidation of 1,3-dichloro-2-propanol was performed in a batch reactor, at room temperature, using UV radiation, H2O2 as oxidant, and Fenton-s reagent. The effect of the oxidative agent-s initial concentration was investigated as well as the effect of the initial concentration of Fe(II) by following the target compound degradation, the total organic carbon removal and the chloride ion production. Also, from the kinetic analysis conducted and proposed reaction scheme it was deduced that the addition of Fe(II) significantly increases the production and the further oxidation of the chlorinated intermediates.

Keywords: 1, 3-dichloro-2-propanol, hydrogen peroxide, photo- Fenton, UV .

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278 Energy Efficiency Index Applied to Reactive Systems

Authors: P. Góes, J. Manzi

Abstract:

This paper focuses on the development of an energy efficiency index that will be applied to reactive systems, which is based in the First and Second Law of Thermodynamics, by giving particular consideration to the concept of maximum entropy. Among the requirements of such energy efficiency index, the practical feasibility must be essential. To illustrate the performance of the proposed index, such an index was used as decisive factor of evaluation for the optimization process of an industrial reactor. The results allow the conclusion to be drawn that the energy efficiency index applied to the reactive system is consistent because it extracts the information expected of an efficient indicator, and that it is useful as an analytical tool besides being feasible from a practical standpoint. Furthermore, it has proved to be much simpler to use than tools based on traditional methodologies.

Keywords: Energy efficiency, maximum entropy, reactive systems.

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277 Investigating Different Options for Reheating the First Converter Inlet Stream of Sulfur Recovery Units (SRUs)

Authors: H. Ganji, H. R. Mahdipoor, J. Ahmadpanah, H. Naderi

Abstract:

The modified Claus process is the major technology for the recovery of elemental sulfur from hydrogen sulfide. The chemical reactions that can occur in the reaction furnace are numerous and many byproducts such as carbon disulfide and carbon carbonyl sulfide are produced. These compounds can often contribute from 20 to 50% of the pollutants and therefore, should be hydrolyzed in the catalytic converter. The inlet temperature of the first catalytic reactor should be maintained over than 250 °C, to hydrolyze COS and CS2. In this paper, the various configurations for the first converter reheating of sulfur recovery unit are investigated. As a result, the performance of each method is presented for a typical clause unit. The results show that the hot gas method seems to be better than the other methods.

Keywords: Sulfur recovery unit, reaction converter.

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276 The Study of Ultimate Response Guideline of Kuosheng BWR/6 Nuclear Power Plant Using TRACE and SNAP

Authors: J. R. Wang, J. H. Yang, Y. Chiang, H. C. Chen, C. Shih, S. W. Chen, S. C. Chiang, T. Y. Yu

Abstract:

In this study of ultimate response guideline (URG), Kuosheng BWR/6 nuclear power plant (NPP) TRACE model was established. The reactor depressurization, low pressure water injection, and containment venting are the main actions of URG. This research focuses to evaluate the efficiency of URG under Fukushima-like conditions. Additionally, the sensitivity study of URG was also performed in this research. The analysis results of TRACE present that URG can keep the peak cladding temperature (PCT) below 1088.7 K (the failure criteria) under Fukushima-like conditions. It implied that Kuosheng NPP was at the safe situation.

Keywords: BWR, TRACE, safety analysis, URG.

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275 Preparation and Evaluation of New Nanocatalysts for Selective Oxidation of H2S to Sulfur

Authors: Mohammad Rezaee, Mohammad Kazemeini, Ali Morad Rashidi, Moslem Fattahi

Abstract:

Selective oxidation of H2S to elemental sulfur in a fixed bed reactor over newly synthesized alumina nanocatalysts was physio-chemically investigated and results compared with a commercial Claus catalyst. Amongst these new materials, Al2O3- supported sodium oxide prepared with wet chemical technique and Al2O3 nanocatalyst prepared with spray pyrolysis method were the most active catalysts for selective oxidation of H2S to elemental sulfur. Other prepared nanocatalysts were quickly deactivated, mainly due to the interaction with H2S and conversion into sulfides.

Keywords: H2S, Claus process, Al2O3, Spray pyrolysis method, Wet chemical technique

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274 Tritium Determination in Danube River Water in Serbia by Liquid Scintillation Counter

Authors: S. Forkapic, J. Nikolov, N. Todorovic, D. Mrdja, I. Bikit

Abstract:

Tritium activity concentration in Danube river water in Serbia has been determinate using a liquid scintillation counter Quantulus 1220. During December 2010, water samples were taken along the entire course of Danube through Serbia, from Hungarian- Serbian to Romanian-Serbian border. This investigation is very important because of the nearness of nuclear reactor Paks in Hungary. Sample preparation was performed by standard test method using Optiphase HiSafe 3 scintillation cocktail. We used a rapid method for the preparation of environmental samples, without electrolytic enrichment.

Keywords: detection limit, liquid scintillation counter, low-leveltritium analysis, monitoring.

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273 Investigation of Thin Film Cathode Prepared by Synthesized Nano Pyrite

Authors: S. Kowsari, M. Aghaziarati

Abstract:

Pyrite (FeS2) is a promising candidate for cathode materials in batteries because of it`s high theoretical capacity, low cost and non-toxicity. In this study, nano size iron disulfide thin film was prepared on graphite substrate through a new method as battery cathode. In this way, acetylene black and poly vinylidene fluoride were used as electron conductor and binder, respectively. Fabricated thin films were analyzed by XRD and SEM. These results and electrochemical data confirm improvement of battery discharge capacity in comparison with commercial type of pyrite.

Keywords: Nano pyrite, Thin film, Battery cathode, capacity.

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272 Lattice Boltzmann Simulation of the Carbonization of Wood Particle

Authors: Ahmed Mahmoudi, Imen Mejri, Mohamed A. Abbassi, Ahmed Omri

Abstract:

A numerical study based on the Lattice Boltzmann Method (LBM) is proposed to solve one, two and three dimensional heat and mass transfer for isothermal carbonization of thick wood particles. To check the validity of the proposed model, computational results have been compared with the published data and a good agreement is obtained. Then, the model is used to study the effect of reactor temperature and thermal boundary conditions, on the evolution of the local temperature and the mass distributions of the wood particle during carbonization

Keywords: Lattice Boltzmann Method, pyrolysis conduction, carbonization, Heat and mass transfer.

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271 Optimization of Gentamicin Production: Comparison of ANN and RSM Techniques

Authors: M.Rajasimman, S.Subathra

Abstract:

In this work, statistical experimental design was applied for the optimization of medium constituents for Gentamicin production by Micromsonospora echinospora subs pallida (MTCC 708) in a batch reactor and the results are compared with the ANN predicted values. By central composite design, 50 experiments are carried out for five test variables: Starch, Soya bean meal, K2HPO4, CaCO3 and FeSO4. The optimum condition was found to be: Starch (8.9,g/L), Soya bean meal (3.3 g/L), K2HPO4 (0.8 g/L), CaCO3 (4 g/L) and FeSO4 (0.03 g/L). At these optimized conditions, the yield of gentamicin was found to be 1020 mg/L. The R2 values were found to be 1 for ANN training set, 0.9953 for ANN test set, and 0.9286 for RSM.

Keywords: Gentamicin, optimization, Micromonospora echinospora, ANN, RSM

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270 CO2 Abatement by Methanol Production from Flue-Gas in Methanol Plant

Authors: A. K. Sayah, Sh. Hosseinabadi, M. Farazar

Abstract:

This study investigates CO2 mitigation by methanol synthesis from flue gas CO2 and H2 generation through water electrolysis. Electrolytic hydrogen generation is viable provided that the required electrical power is supplied from renewable energy resources; whereby power generation from renewable resources is yet commercial challenging. This approach contribute to zero-emission, moreover it produce oxygen which could be used as feedstock for chemical process. At ZPC, however, oxygen would be utilized through partial oxidation of methane in autothermal reactor (ATR); this makes ease the difficulties of O2 delivery and marketing. On the other hand, onboard hydrogen storage and consumption; in methanol plant; make the project economically more competitive.

Keywords: Biomass, CO2 abatement, flue gas recovery, renewable energy, sustainable development.

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269 Design Optimization of the Primary Containment Building of a Pressurized Water Reactor

Authors: M. Hossain, A. H. Khan, M. A. R. Sarkar

Abstract:

Primary containment structure is one of the five safety layers of a nuclear facility which is needed to be designed in such a manner that it can withstand the pressure and excessive radioactivity during accidental situations. It is also necessary to ensure minimization of cost with maximum possible safety in order to make the design economically feasible and attractive. This paper attempts to identify the optimum design conditions for primary containment structure considering both mechanical and radiation safety keeping the economic aspects in mind. This work takes advantage of commercial simulation software to identify the suitable conditions without the requirement of costly experiments. Generated data may be helpful for further studies.

Keywords: PWR, concrete containment, finite element approach, neutron attenuation, Von Mises Stress.

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268 Effects of ECCS on the Cold-Leg Fluid Temperature during SGTR Accidents

Authors: Tadashi Watanabe

Abstract:

The LSTF experiment simulating the SGTR accident at the Mihama Unit-2 reactor is analyzed using the RELAP5/MOD3.3 code. In the accident, and thus in the experiment, the ECC water was injected not only into the cold legs but into the upper plenum. Overall transients during the experiment such as pressures and fluid temperatures are simulated well by the code. The cold-leg fluid temperatures are shown to decrease if the upper plenum injection system is connected to the cold leg. It is found that the cold-leg fluid temperatures also decrease if the upper-plenum injection is not used and the cold-leg injection alone is actuated.

Keywords: SGTR, LSTF, RELAP5, ECCS.

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267 Removal of Heavy Metals from Rainwater in Batch Reactors with Sulphate Reducing Bacteria (SRB)

Authors: Abdulsalam I. Rafida

Abstract:

The main objective of this research was to investigate the biosorption capacity for biofilms of sulphate reducing bacteria (SRB) to remove heavy metals, such as Zn, Pb and Cd from rainwater using laboratory-scale reactors containing mixed support media. Evidence showed that biosorption had contributed to removal of heavy metals including Zn, Pb and Cd in presence of SRB and SRB were also found in the aqueous samples from reactors. However, the SRB and specific families (Desulfobacteriaceae and Desulfovibrionaceae) were found mainly in the biomass samples taken from all reactors at the end of the experiment. EDX-analysis of reactor solids at end of experiment showed that heavy metals Zn, Pb and Cd had also accumulated in these precipitates.

Keywords: Sulphate reducing bacteria (SRB), biosorption capacity.

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266 Experimental Study on Effects of Addition of Rice Husk on Coal Gasification

Authors: M. Bharath, Vasudevan Raghavan, B. V. S. S. S. Prasad, S. R. Chakravarthy

Abstract:

In this experimental study, effects of addition of rice husk on coal gasification in a bubbling fluidized bed gasifier, operating at atmospheric pressure with air as gasifying agent, are reported. Rice husks comprising of 6.5% and 13% by mass are added to coal. Results show that, when rice husk is added the methane yield increases from volumetric percentage of 0.56% (with no rice husk) to 2.77% (with 13% rice husk). CO and H2 remain almost unchanged and CO2 decreases with addition of rice husk. The calorific value of the synthetic gas is around 2.73 MJ/Nm3. All performance indices, such as cold gas efficiency and carbon conversion, increase with addition of rice husk.

Keywords: Bubbling fluidized bed reactor, coal gasification, calorific value, rice husk.

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265 Methanation Catalyst for Low CO Concentration

Authors: Hong-fang Ma, Cong-yi He, Hai-tao Zhang, Wei-yong Ying, Ding-ye Fang

Abstract:

A Ni-based catalyst supported by γ-Al2O3 was prepared by impregnation method, and the catalyst was used in a low CO and CO2 concentration methanation system. The effect of temperature, pressure and space velocity on the methanation reaction was investigated in an experimental fixed-bed reactor. The methanation reaction was operated at the conditions of 190-240°C, 3000-24000ml•g-1•h-1 and 1.5-3.5MPa. The results show that temperature and space velocity play important role on the reaction. With the increase of reaction temperature the CO and CO2 conversion increase and the selectivity of CH4 increase. And with the increase of the space velocity the conversion of CO and CO2 and the selectivity of CH4 decrease sharply.

Keywords: Coke oven gas, methanation, catalyst, fixed-bed.

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264 Intrinsic Kinetics of Methanol Dehydration over Al2O3 Catalyst

Authors: Liang Zhang, Hai-Tao Zhang, W ei-Yong Ying, Ding-Ye Fang

Abstract:

Dehydration of methanol to dimethyl ether (DME) over a commercial Al2O3 catalyst was studied in an isothermal integral fixed bed reactor. The experiments were performed on the temperature interval 513-613 K, liquid hourly space velocity (LHSV) of 0.9-2.1h-1, pressures between 0.1 and 1.0 MPa. The effect of different operation conditions on the dehydration of methanol was investigated in a laboratory scale experiment. A new intrinsic kinetics equation based on the mechanism of Langmuir-Hinshelwood dissociation adsorption was developed for the dehydration reaction by fitting the expressions to the experimental data. An activation energy of 67.21 kJ/mol was obtained for the catalyst with the best performance. Statistic test showed that this new intrinsic kinetics equation was acceptable.

Keywords: catalyst, dimethyl ether, intrinsic kinetics, methanol

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263 Biogas Production from Waste using Biofilm Reactor: Factor Analysis in Two Stages System

Authors: N. Zainol, J. Salihon, R. Abdul-Rahman

Abstract:

Factor analysis was applied to two stages biogas production from banana stem waste allowing a screening of the experimental variables second stage temperature (T), organic loading rates (OLR) and hydraulic retention times (HRT). Biogas production was found to be strongly influenced by all the above experimental variables. Results from factorial analysis have shown that all variables which were HRT, OLR and T have significant effect to biogas production. Increased in HRT and OLR could increased the biogas yield. The performance was tested under the conditions of various T (35oC-60oC), OLR (0.3 g TS/l.d–1.9 gTS/l.d), and HRT (3 d–15 d). Conditions for temperature, OLR and HRT in this study were based on the best range obtained from literature review.

Keywords: Biogas, factor analysis, banana stem waste

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262 Design, Construction and Performance Evaluation of a HPGe Detector Shield

Authors: M. Sharifi, M. Mirzaii, F. Bolourinovin, H. Yousefnia, M. Akbari, K. Yousefi-Mojir

Abstract:

A multilayer passive shield composed of low-activity lead (Pb), copper (Cu), tin (Sn) and iron (Fe) was designed and manufactured for a coaxial HPGe detector placed at a surface laboratory for reducing background radiation and radiation dose to the personnel. The performance of the shield was evaluated and efficiency curves of the detector were plotted by using of various standard sources in different distances. Monte Carlo simulations and a set of TLD chips were used for dose estimation in two distances of 20 and 40 cm. The results show that the shield reduced background spectrum and the personnel dose more than 95%.

Keywords: HPGe shield, background count, personnel dose, efficiency curve.

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261 Using TRACE and SNAP Codes to Establish the Model of Maanshan PWR for SBO Accident

Authors: B. R. Shen, J. R. Wang, J. H. Yang, S. W. Chen, C. Shih, Y. Chiang, Y. F. Chang, Y. H. Huang

Abstract:

In this research, TRACE code with the interface code-SNAP was used to simulate and analyze the SBO (station blackout) accident which occurred in Maanshan PWR (pressurized water reactor) nuclear power plant (NPP). There are four main steps in this research. First, the SBO accident data of Maanshan NPP were collected. Second, the TRACE/SNAP model of Maanshan NPP was established by using these data. Third, this TRACE/SNAP model was used to perform the simulation and analysis of SBO accident. Finally, the simulation and analysis of SBO with mitigation equipments was performed. The analysis results of TRACE are consistent with the data of Maanshan NPP. The mitigation equipments of Maanshan can maintain the safety of Maanshan in the SBO according to the TRACE predictions.

Keywords: PWR, TRACE, SBO, Maanshan.

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260 The Context-s Influence on the Evolution of Cioran: The Options of an Engaged Philosopher

Authors: Mara Magda Maftei

Abstract:

The article emphasizes the ideological commitment of the philosopher Emil Cioran. It presents firstly Cioran's works on the theme announced by the title, then the European context that determined the political option of Cioran and a brief analysis of his relationship with History during his French period. The anti- Semitism of Cioran was favored by his attachment to a few philosophers, but also by the European extremist and anti-Semitic context. The article seeks to demonstrate that the philosopher Cioran, known more for his pessimism and nihilism, maintained in time an obsessive relationship with History. His political philosophy is as important as his subjective philosophy, better known than the former.

Keywords: Cioran, French writings, History, Iron Guard

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259 O-Functionalized CNT Mediated CO Hydro-Deoxygenation and Chain Growth

Authors: K. Mondal, S. Talapatra, M. Terrones, S. Pokhrel, C. Frizzel, B. Sumpter, V. Meunier, A. L. Elias

Abstract:

Worldwide energy independence is reliant on the ability to leverage locally available resources for fuel production. Recently, syngas produced through gasification of carbonaceous materials provided a gateway to a host of processes for the production of various chemicals including transportation fuels. The basis of the production of gasoline and diesel-like fuels is the Fischer Tropsch Synthesis (FTS) process: A catalyzed chemical reaction that converts a mixture of carbon monoxide (CO) and hydrogen (H2) into long chain hydrocarbons. Until now, it has been argued that only transition metal catalysts (usually Co or Fe) are active toward the CO hydrogenation and subsequent chain growth in the presence of hydrogen. In this paper, we demonstrate that carbon nanotube (CNT) surfaces are also capable of hydro-deoxygenating CO and producing long chain hydrocarbons similar to that obtained through the FTS but with orders of magnitude higher conversion efficiencies than the present state-of-the-art FTS catalysts. We have used advanced experimental tools such as XPS and microscopy techniques to characterize CNTs and identify C-O functional groups as the active sites for the enhanced catalytic activity. Furthermore, we have conducted quantum Density Functional Theory (DFT) calculations to confirm that C-O groups (inherent on CNT surfaces) could indeed be catalytically active towards reduction of CO with H2, and capable of sustaining chain growth. The DFT calculations have shown that the kinetically and thermodynamically feasible route for CO insertion and hydro-deoxygenation are different from that on transition metal catalysts. Experiments on a continuous flow tubular reactor with various nearly metal-free CNTs have been carried out and the products have been analyzed. CNTs functionalized by various methods were evaluated under different conditions. Reactor tests revealed that the hydrogen pre-treatment reduced the activity of the catalysts to negligible levels. Without the pretreatment, the activity for CO conversion as found to be 7 µmol CO/g CNT/s. The O-functionalized samples showed very activities greater than 85 µmol CO/g CNT/s with nearly 100% conversion. Analyses show that CO hydro-deoxygenation occurred at the C-O/O-H functional groups. It was found that while the products were similar to FT products, differences in selectivities were observed which, in turn, was a result of a different catalytic mechanism. These findings now open a new paradigm for CNT-based hydrogenation catalysts and constitute a defining point for obtaining clean, earth abundant, alternative fuels through the use of efficient and renewable catalyst.

Keywords: CNT, CO hydro-deoxygenation, DFT, liquid fuels, XPS, XTL.

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