Search results for: nuclear fuel
1641 A Comparative Analysis of Conventional and Organic Dairy Supply Chain: Assessing Transport Costs and External Effects in Southern Sweden
Authors: Vivianne Aggestam
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Purpose: Organic dairy products have steadily increased with consumer popularity in recent years in Sweden, permitting more transport activities. The main aim of this study was to compare the transport costs and the environmental emissions made by the organic and conventional dairy production in Sweden. The objective was to evaluate differences and environmental impacts of transport between the two different production systems, allowing a more transparent understanding of the real impact of transport within the supply chain. Methods: A partial attributional Life Cycle Assessment has been conducted based on a comprehensive survey of Swedish farmers, dairies and consumers regarding their transport needs and costs. Interviews addressed the farmers and dairies. Consumers were targeted through an online survey. Results: Higher transport inputs from conventional dairy transportation are mainly via feed and soil management on farm level. The regional organic milk brand illustrate less initial transport burdens on farm level, however, after leaving the farm, it had equal or higher transportation requirements. This was mainly due to the location of the dairy farm and shorter product expiry dates, which requires more frequent retail deliveries. Organic consumers tend to use public transport more than private vehicles. Consumers using private vehicles for shopping trips primarily bought conventional products for which price was the main deciding factor. Conclusions: Organic dairy products that emphasise its regional attributes do not ensure less transportation and may therefore not be a more “climate smart” option for the consumer. This suggests that the idea of localism needs to be analysed from a more systemic perspective. Fuel and regional feed efficiency can be further implemented, mainly via fuel type and the types of vehicles used for transport.Keywords: supply chains, distribution, transportation, organic food productions, conventional food production, agricultural fossil fuel use
Procedia PDF Downloads 4551640 Design of an Energy Efficient Electric Auto Rickshaw
Authors: Muhammad Asghar, Aamer Iqbal Bhatti, Qadeer Ahmed, Tahir Izhar
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Three wheeler auto Rickshaw, often termed as ‘auto rickshaw’ is very common in Pakistan and is considered as the most affordable means of transportation to the local people. Problems caused by the gasoline engine on the environment and people, the researchers and the automotive industry have turned to the hybrid electric vehicles and electrical powered vehicle. The research in this paper explains the design of energy efficient Electric auto Rickshaw. An electric auto rickshaw is being developed at Center for Energy Research and Development, (Lahore), which is running on the roads of Lahore city. Energy storage capacity of batteries is at least 25 times heavier than fossil fuel and having volume 10 times in comparison to fuel, resulting an increase of the Rickshaw weight. A set of specifications is derived according to the mobility requirements of the electric auto rickshaw. The design choices considering the power-train and component selection are explained in detail. It was concluded that electric auto rickshaw has many advantages and benefits over the conventional auto rickshaw. It is cleaner and much more energy efficient but limited to the distance it can travel before recharging of battery. In addition, a brief future view of the battery technology is given.Keywords: conventional auto rickshaw, energy efficiency, electric auto rickshaw, internal combustion engine, environment
Procedia PDF Downloads 2901639 Effect of Leaks in Solid Oxide Electrolysis Cells Tested for Durability under Co-Electrolysis Conditions
Authors: Megha Rao, Søren H. Jensen, Xiufu Sun, Anke Hagen, Mogens B. Mogensen
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Solid oxide electrolysis cells have an immense potential in converting CO2 and H2O into syngas during co-electrolysis operation. The produced syngas can be further converted into hydrocarbons. This kind of technology is called power-to-gas or power-to-liquid. To produce hydrocarbons via this route, durability of the cells is still a challenge, which needs to be further investigated in order to improve the cells. In this work, various nickel-yttria stabilized zirconia (Ni-YSZ) fuel electrode supported or YSZ electrolyte supported cells, cerium gadolinium oxide (CGO) barrier layer, and an oxygen electrode are investigated for durability under co-electrolysis conditions in both galvanostatic and potentiostatic conditions. While changing the gas on the oxygen electrode, keeping the fuel electrode gas composition constant, a change in the gas concentration arc was observed by impedance spectroscopy. Measurements of open circuit potential revealed the presence of leaks in the setup. It is speculated that the change in concentration impedance may be related to the leaks. Furthermore, the cells were also tested under pressurized conditions to find an inter-play between the leak rate and the pressure. A mathematical modeling together with electrochemical and microscopy analysis is presented.Keywords: co-electrolysis, durability, leaks, gas concentration arc
Procedia PDF Downloads 1481638 Investigating the Effect of Ceramic Thermal Barrier Coating on Diesel Engine with Lemon Oil Biofuel
Authors: V. Karthickeyan
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The demand for energy is anticipated to increase, due to growing urbanization, industrialization, upgraded living standards and cumulatively increasing human population. The general public is becoming gradually aware of the diminishing fossil fuel resources along with the environmental issues, and it has become clear that biofuel is intended to make significant support to the forthcoming energy needs of the native and industrial sectors. Nowadays, the investigation on biofuels obtained from peels of fruits and vegetables have gained the consideration as an environment-friendly alternative to diesel. In the present work, biofuel was produced from non-edible Lemon Oil (LO) using steam distillation process. LO is characterized by its beneficial aspects like low kinematic viscosity and enhanced calorific value which provides better fuel atomization and evaporation. Furthermore, the heating values of the biofuels are approximately equal to diesel. A single cylinder, four-stroke diesel engine was used for this experimentation. An engine modification technique namely Thermal Barrier Coating (TBC) was attempted. Combustion chamber components were thermally coated with ceramic material namely partially stabilized zirconia (PSZ). The benefit of thermal barrier coating is to diminish the heat loss from engine and transform the collected heat into piston work. Performance characteristics like Brake Thermal Efficiency (BTE) and Brake Specific Fuel Consumption (BSFC) were analyzed. Combustion characteristics like in-cylinder pressure and heat release rate were analyzed. In addition, the following engine emissions namely nitrogen oxide (NO), carbon monoxide (CO), hydrocarbon (HC), and smoke were measured. The acquired performance combustion and emission characteristics of uncoated engine were compared with PSZ coated engine. From the results, it was perceived that the LO biofuel may be considered as the prominent alternative in the near prospect with thermal barrier coating technique to enrich the performance, combustion and emission characteristics of diesel engine.Keywords: ceramic material, thermal barrier coating, biofuel and diesel engine
Procedia PDF Downloads 1561637 Probing The Electronic Excitation Induced Structural Phase Transition In Nd2zr2o7 Using X-ray Techniques
Authors: Yogendar Singh, Parasmani Rajput, Pawan Kumar Kulriya
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Understanding the radiation response of the pyrochlore structured ceramics in the nuclear reactor core-like environment is of quite an interest for their utilization as host matrices. Electronic excitation (100 MeV I7+) induced crystalline to amorphous phase transition in Nd2Zr2O7 pyrochlore synthesized through three steps solid-state sintering method was investigated. The x-ray diffraction, along with Raman spectroscopy and x-ray absorption spectroscopy experiments conducted on pristine and irradiated pyrochlore, showed an increase in the rate of amorphization with ion fluence. XRD results indicate that specimen is completely amorphized on irradiation at the highest fluence of 5×1013 ions/cm2. The EXAFS spectra of the K-Zr edge and the Nd LIII edge confirmed a significant change in the chemical environment of Nd upon swift heavy ion irradiation. Observation of a large change in the intensity of K-Zr pre-edge spectra is also a good indicator of the phase transition from pyrochlore to the amorphous phase, which is supported by the FT modulus of the LIII-Nd edge. However, the chemical environment of Zr is less affected by irradiation, but it clearly exhibits an increase in the degree of disorder.Keywords: nuclear host matrices, swift heavy ion irradiation, x-ray absorption spectroscopy, pyrochlore oxides
Procedia PDF Downloads 1051636 Comparative Performance and Emission Analysis of Diesel Engine Fueled with Diesel and Bitter Apricot Kernal Oil Biodiesel Blends
Authors: Virender Singh Gurau, Akash Deep, Sarbjot S. Sandhu
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Vegetable oils are produced from numerous oil seed crops. While all vegetable oils have high energy content, most require some processing to assure safe use in internal combustion engines. Some of these oils already have been evaluated as substitutes for diesel fuels. In the present research work Bitter Apricot kernel oil was employed as a feedstock for the production of biodiesel. The physicochemical properties of the Bitter Apricot kernel oil methyl ester were investigated as per ASTM D6751. From the series of engine testing, it is concluded that the brake thermal efficiency (BTE) with biodiesel blend was little lower than that of diesel. BSEC is slightly higher for Bitter apricot kernel oil methyl ester blends than neat diesel. For biodiesel blends, CO emission was lower than diesel fuel as B 20 reduced CO emissions by 18.75%. Approximately 11% increase in NOx emission was observed with 20% biodiesel blend. It is observed that HC emissions tend to decrease for biodiesel based fuels and Smoke opacity was found lower for biodiesel blends in comparison to diesel fuel.Keywords: biodiesel, transesterification, bitter apricot kernel oil, performance and emission testing
Procedia PDF Downloads 3371635 Investigations on the Influence of Optimized Charge Air Cooling for a Diesel Passenger Car
Authors: Christian Doppler, Gernot Hirschl, Gerhard Zsiga
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Starting from 2020, an EU-wide CO2-limitation of 95g/km is scheduled for the average of an OEMs passenger car fleet. Considering that, further measures of optimization on the diesel cycle will be necessary in order to reduce fuel consumption and emissions while keeping performance values adequate at the least. The present article deals with charge air cooling (CAC) on the basis of a diesel passenger car model in a 0D/1D-working process calculation environment. The considered engine is a 2.4 litre EURO VI diesel engine with variable geometry turbocharger (VGT) and low-pressure exhaust gas recirculation (LP EGR). The object of study was the impact of charge air cooling on the engine working process at constant boundary conditions which could have been conducted with an available and validated engine model in AVL BOOST. Part load was realized with constant power and NOx-emissions, whereas full load was accomplished with a lambda control in order to obtain maximum engine performance. The informative results were used to implement a simulation model in Matlab/Simulink which is further integrated into a full vehicle simulation environment via coupling with ICOS (Independent Co-Simulation Platform). Next, the dynamic engine behavior was validated and modified with load steps taken from the engine test bed. Due to the modular setup in the Co-Simulation, different CAC-models have been simulated quickly with their different influences on the working process. In doing so, a new cooler variation isn’t needed to be reproduced and implemented into the primary simulation model environment, but is implemented quickly and easily as an independent component into the simulation entity. By means of the association of the engine model, longitudinal dynamics vehicle model and different CAC models (air/air & water/air variants) in both steady state and transient operational modes, statements are gained regarding fuel consumption, NOx-emissions and power behavior. The fact that there is no more need of a complex engine model is very advantageous for the overall simulation volume. Beside of the simulation with the mentioned demonstrator engine, there have also been conducted several experimental investigations on the engine test bench. Here the comparison of a standard CAC with an intake-manifold-integrated CAC was executed in particular. Simulative as well as experimental tests showed benefits for the water/air CAC variant (on test bed especially the intake manifold integrated variant). The benefits are illustrated by a reduced pressure loss and a gain in air efficiency and CAC efficiency, those who all lead to minimized emission and fuel consumption for stationary and transient operation.Keywords: air/water-charge air cooler, co-simulation, diesel working process, EURO VI fuel consumption
Procedia PDF Downloads 2711634 Electrical and Structural Properties of Solid Electrolyte Systems
Authors: Yasin Polat, Yılmaz Dağdemir, Mehmet Arı
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Samarium (III) oxide and Ytterbium (III) oxide doped Bismuth trioxide solid solutions, the nano ceramic (Bi2O3)1-x-y(Sm2O3)x(Yb2O3)y ternary system were obtained with x=5, 20 mol %, and y=5, 20 mol % dopant concentrations have been synthesized in air atmosphere with solid state reaction. Temperature dependent electrical conductivity of the samples have been investigated by 4-point probe technique by heating and cooling process. Doped-Bi2O3 materials of solid electrolyte systems are good oxygen anions O2-conductors which have collected much attention as potential solid ceramic electrolytes for solid oxide fuel cells (SOFCs) because of their relatively high oxygen ionic conductivity at lower temperatures.(Bi2O3)-based electrolytes have also wide other technological applications in devices with high economical interest such as oxygen sensors, ceramic membranes for oxygen separation, oxygen pumps, catalyzing of some heterogeneous reactions, partial oxidation of the hydrocarbons, and additive material in paints. In recent years, many experimental researches have mostly focused on improving of the Bi-based electrolytes which have high oxide ionic conductivity at low temperatures and better performance as alternatives to traditional stabilized zirconia has taken place. Generally, these systems are much better solid electrolytes than well-known stabilized zirconia, because some of the bismuth trioxide phases exhibit higher ion conductivity than other oxide ionic conductors. Crystal structure of the Nano ceramic (Bi2O3)1-x-y(Sm2O3)x(Yb2O3)y has been determined by X-Ray powder diffractions (XRD) measurements before and after electrical conductivity measurements of the samples. Surface and grain structure properties of the samples were determined by SEM analysis. The samples which synthesized in this study can be used in industrial applications such as electrolytes of the solid oxide fuel cells (SOFC).Keywords: 4-point probe technique, bismuth trioxide, solid state reaction, solid oxide fuel cell
Procedia PDF Downloads 3061633 Supply Chain of Energy Resources and Its Alternatives Due to the Arab Spring: The Case of Egyptian Natural Gas Flow to Jordan
Authors: Moh’d Anwer Al-Shboul
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The year 2011 was a challenging year for Jordanian economy, which felt a variety of effects from the Arab Spring which took place in neighboring countries. Since February, 5th 2012, the Arab Gas Supply Pipeline, which carries natural gas from Egypt through the Sinai Peninsula and to Jordan and Israel, has been attacked more than 39 times. Jordan imported about 80 percent of its necessity of natural gas (about 250 million cubic feet of natural gas per day) from Egypt to generate particularly electricity, with the reminder of being produced locally. Jordan has utilized multiple alternatives to address the interruption of available natural gas supply from Egypt. The Jordanian distributed power plants now rely on the use of heavy fuel oil and diesel for electricity generation, in this case, it costs Jordan about four times than natural gas. The substitution of Egyptian natural gas supplies by fuel oil and diesel, coupled with the 32 percent rise in global fuel prices, has increased Jordan’s energy import bill by over 50 percent in 2011, reaching more than 16 percent of the 2011 GDP. The increase in the cost of electricity generation pushed the Jordanian economy to borrow from multiple internal and external resource channels, thus increasing the public debt. The Jordanian government’s short-term solution to the reduced natural gas supply from Egypt was alternatively purchasing the necessary quantities from some Gulf countries such as Qatar and/or Saudi Arabia, which can be imported with two possible methods. The first method is to rent a ship equipped with a liquefied natural gas (LNG) terminal, which is currently operating. The second method requires equipping the Aqaba port with an LNG terminal, which also currently is operating. In the long-term, a viable solution to depending on importing expensive and often unreliable natural gas supplies from surrounding countries is to depend more heavily on renewable supply energy, including solar, wind, and water energy.Keywords: energy supply resources, Arab spring, liquefied natural gas, pipeline, Jordan
Procedia PDF Downloads 1451632 Use of Biomass as Co-Fuel in Briquetting of Low-Rank Coal: Strengthen the Energy Supply and Save the Environment
Authors: Mahidin, Yanna Syamsuddin, Samsul Rizal
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In order to fulfill world energy demand, several efforts have been done to look for new and renewable energy candidates to substitute oil and gas. Biomass is one of new and renewable energy sources, which is abundant in Indonesia. Palm kernel shell is a kind of biomass discharge from palm oil industries as a waste. On the other hand, Jatropha curcas that is easy to grow in Indonesia is also a typical energy source either for bio-diesel or biomass. In this study, biomass was used as co-fuel in briquetting of low-rank coal to suppress the release of emission (such as CO, NOx and SOx) during coal combustion. Desulfurizer, CaO-base, was also added to ensure the SOx capture is effectively occurred. Ratio of coal to palm kernel shell (w/w) in the bio-briquette were 50:50, 60:40, 70:30, 80:20 and 90:10, while ratio of calcium to sulfur (Ca/S) in mole/mole were 1:1; 1.25:1; 1.5:1; 1.75:1 and 2:1. The bio-briquette then subjected to physical characterization and combustion test. The results show that the maximum weight loss in the durability measurement was ±6%. In addition, the highest stove efficiency for each desulfurizer was observed at the coal/PKS ratio of 90:10 and Ca/S ratio of 1:1 (except for the scallop shell desulfurizer that appeared at two Ca/S ratios; 1.25:1 and 1.5:1, respectively), i.e. 13.8% for the lime; 15.86% for the oyster shell; 14.54% for the scallop shell and 15.84% for the green mussel shell desulfurizers.Keywords: biomass, low-rank coal, bio-briquette, new and renewable energy, palm kernel shell
Procedia PDF Downloads 4451631 Assessment of Non-Timber Forest Products from Community Managed Forest of Thenzawl Forest Division, Mizoram, Northeast India
Authors: K. Lalhmingsangi, U. K. Sahoo
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Non-Timber Forest Products represent one of the key sources of income and subsistence to the fringe communities living in rural areas. A study was conducted for the assessment of NTFP within the community forest of five villages under Thenzawl forest division. Participatory Rural Appraisal (PRA), questionnaire, field exercise, discussion and interview with the first hand NTFP exploiter and sellers was adopted for the field study. Fuel wood, medicinal plants, fodder, wild vegetables, fruits, broom grass, thatch grass, bamboo pole and cane species are the main NTFP harvested from the community forest. Among all the NTFPs, the highest percentage of household involvement was found in fuel wood, i.e. 53% of household and least in medicinal plants 5%. They harvest for their own consumption as well as for selling to the market to meet their needs. Edible food and fruits are sold to the market and it was estimated that 300 (Rs/hh/yr) was earned by each household through the selling of this NTFP from the community forest alone. No marketing channels are linked with fuelwood, medicinal plants and fodder since they harvest only for their own consumption.Keywords: community forest, subsistence, non-timber forest products, Thenzawl Forest Division
Procedia PDF Downloads 1531630 A Method for Harvesting Atmospheric Lightning-Energy and Utilization of Extra Generated Power of Nuclear Power Plants during the Low Energy Demand Periods
Authors: Akbar Rahmani Nejad, Pejman Rahmani Nejad, Ahmad Rahmani Nejad
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we proposed the arresting of atmospheric lightning and passing the electrical current of lightning-bolts through underground water tanks to produce Hydrogen and restoring Hydrogen in reservoirs to be used later as clean and sustainable energy. It is proposed to implement this method for storage of extra electrical power (instead of lightning energy) during low energy demand periods to produce hydrogen as a clean energy source to store in big reservoirs and later generate electricity by burning the stored hydrogen at an appropriate time. This method prevents the complicated process of changing the output power of nuclear power plants. It is possible to pass an electric current through sodium chloride solution to produce chlorine and sodium or human waste to produce Methane, etc. however atmospheric lightning is an accidental phenomenon, but using this free energy just by connecting the output of lightning arresters to the output of power plant during low energy demand period which there is no significant change in the design of power plant or have no cost, can be considered completely an economical designKeywords: hydrogen gas, lightning energy, power plant, resistive element
Procedia PDF Downloads 1421629 Nanoporous Activated Carbons for Fuel Cells and Supercapacitors
Authors: A. Volperts, G. Dobele, A. Zhurinsh, I. Kruusenberg, A. Plavniece, J. Locs
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Nowadays energy consumption constantly increases and development of effective and cheap electrochemical sources of power, such as fuel cells and electrochemical capacitors, is topical. Due to their high specific power, charge and discharge rates, working lifetime supercapacitor based energy accumulation systems are more and more extensively being used in mobile and stationary devices. Lignocellulosic materials are widely used as precursors and account for around 45% of the total raw materials used for the manufacture of activated carbon which is the most suitable material for supercapacitors. First part of our research is devoted to study of influence of main stages of wood thermochemical activation parameters on activated carbons porous structure formation. It was found that the main factors governing the properties of carbon materials are specific surface area, volume and pore size distribution, particles dispersity, ash content and oxygen containing groups content. Influence of activated carbons attributes on capacitance and working properties of supercapacitor are demonstrated. The correlation between activated carbons porous structure indices and electrochemical specifications of supercapacitors with electrodes made from these materials has been determined. It is shown that if synthesized activated carbons are used in supercapacitors then high specific capacitances can be reached – more than 380 F/g in 4.9M sulfuric acid based electrolytes and more than 170 F/g in 1 M tetraethylammonium tetrafluoroborate in acetonitrile electrolyte. Power specifications and minimal price of H₂-O₂ fuel cells are limited by the expensive platinum-based catalysts. The main direction in development of non-platinum catalysts for the oxygen reduction is the study of cheap porous carbonaceous materials which can be obtained by the pyrolysis of polymers including renewable biomass. It is known that nitrogen atoms in carbon materials to a high degree determine properties of the doped activated carbons, such as high electrochemical stability, hardness, electric resistance, etc. The lack of sufficient knowledge on the doping of the carbon materials calls for the ongoing researches of properties and structure of modified carbon matrix. In the second part of this study, highly porous activated carbons were synthesized using alkali thermochemical activation from wood, cellulose and cellulose production residues – craft lignin and sewage sludge. Activated carbon samples were doped with dicyandiamide and melamine for the application as fuel cell cathodes. Conditions of nitrogen introduction (solvent, treatment temperature) and its content in the carbonaceous material, as well as porous structure characteristics, such as specific surface and pore size distribution, were studied. It was found that efficiency of doping reaction depends on the elemental oxygen content in the activated carbon. Relationships between nitrogen content, porous structure characteristics and electrodes electrochemical properties are demonstrated.Keywords: activated carbons, low-temperature fuel cells, nitrogen doping, porous structure, supercapacitors
Procedia PDF Downloads 1201628 Technology Optimization of Compressed Natural Gas Home Fast Refueling Units
Authors: Szymon Kuczynski, Krystian Liszka, Mariusz Laciak, Andrii Oliinyk, Robert Strods, Adam Szurlej
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Despіte all glоbal ecоnоmіc shіfts and the fact that Natural Gas іs recоgnіzed wоrldwіde as the maіn and the leadіng alternatіve tо оіl prоducts іn transpоrtatіоn sectоr, there іs a huge barrіer tо swіtch passenger vehіcle segment tо Natural gas - the lack оf refuelіng іnfrastructure fоr Natural Gas Vehіcles. Whіle іnvestments іn publіc gas statіоns requіre establіshed NGV market іn оrder tо be cоst effectіve, the market іs nоt there due tо lack оf refuelіng statіоns. The key tо sоlvіng that prоblem and prоvіdіng barrіer breakіng refuelіng іnfrastructure sоlutіоn fоr Natural Gas Vehіcles (NGV) іs Hоme Fast Refuelіng Unіts. Іt оperates usіng Natural Gas (Methane), whіch іs beіng prоvіded thrоugh gas pіpelіnes at clіents hоme, and electrіcіty cоnnectіоn pоіnt. Іt enables an envіrоnmentally frіendly NGV’s hоme refuelіng just іn mіnutes. The underlyіng technоlоgy іs a patented technоlоgy оf оne stage hydraulіc cоmpressоr (іnstead оf multіstage mechanіcal cоmpressоr technоlоgy avaіlable оn the market nоw) whіch prоvіdes the pоssіbіlіty tо cоmpress lоw pressure gas frоm resіdentіal gas grіd tо 200 bar fоr іts further usage as a fuel fоr NGVs іn the mоst ecоnоmіcally effіcіent and cоnvenіent fоr custоmer way. Descrіptіоn оf wоrkіng algоrіthm: Twо hіgh pressure cylіnders wіth upper necks cоnnected tо lоw pressure gas sоurce are placed vertіcally. Іnіtіally оne оf them іs fіlled wіth lіquіd and anоther оne – wіth lоw pressure gas. Durіng the wоrkіng prоcess lіquіd іs transferred by means оf hydraulіc pump frоm оne cylіnder tо anоther and back. Wоrkіng lіquіd plays a rоle оf pіstоns іnsіde cylіnders. Mоvement оf wоrkіng lіquіd іnsіde cylіnders prоvіdes sіmultaneоus suctіоn оf a pоrtіоn оf lоw pressure gas іntо оne оf the cylіnder (where lіquіd mоves dоwn) and fоrcіng оut gas оf hіgher pressure frоm anоther cylіnder (where lіquіd mоves up) tо the fuel tank оf the vehіcle / stоrage tank. Each cycle оf fоrcіng the gas оut оf the cylіnder rіses up the pressure оf gas іn the fuel tank оf a vehіcle wіth 2 cylіnders. The prоcess іs repeated untіl the pressure оf gas іn the fuel tank reaches 200 bar. Mоbіlіty has becоme a necessіty іn peоple’s everyday lіfe, whіch led tо оіl dependence. CNG Hоme Fast Refuelіng Unіts can become a part fоr exіstіng natural gas pіpelіne іnfrastructure and becоme the largest vehіcle refuelіng іnfrastructure. Hоme Fast Refuelіng Unіts оwners wіll enjоy day-tо-day tіme savіngs and cоnvenіence - Hоme Car refuelіng іn mіnutes, mоnth-tо-mоnth fuel cоst ecоnоmy, year-tо-year іncentіves and tax deductіbles оn NG refuelіng systems as per cоuntry, reduce CО2 lоcal emіssіоns, savіng cоsts and mоney.Keywords: CNG (compressed natural gas), CNG stations, NGVs (natural gas vehicles), natural gas
Procedia PDF Downloads 2051627 A Simulation-Based Method for Evaluation of Energy System Cooperation between Pulp and Paper Mills and a District Heating System: A Case Study
Authors: Alexander Hedlund, Anna-Karin Stengard, Olof Björkqvist
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A step towards reducing greenhouse gases and energy consumption is to collaborate with the energy system between several industries. This work is based on a case study on integration of pulp and paper mills with a district heating system in Sundsvall, Sweden. Present research shows that it is possible to make a significant reduction in the electricity demand in the mechanical pulping process. However, the profitability of the efficiency measures could be an issue, as the excess steam recovered from the refiners decreases with the electricity consumption. A consequence will be that the fuel demand for steam production will increase. If the fuel price is similar to the electricity price it would reduce the profit of such a project. If the paper mill can be integrated with a district heating system, it is possible to upgrade excess heat from a nearby kraft pulp mill to process steam via the district heating system in order to avoid the additional fuel need. The concept is investigated by using a simulation model describing both the mass and energy balance as well as the operating margin. Three scenarios were analyzed: reference, electricity reduction and energy substitution. The simulation show that the total input to the system is lowest in the Energy substitution scenario. Additionally, in the Energy substitution scenario the steam from the incineration boiler covers not only the steam shortage but also a part of the steam produced using the biofuel boiler, the cooling tower connected to the incineration boiler is no longer needed and the excess heat can cover the whole district heating load during the whole year. The study shows a substantial economic advantage if all stakeholders act together as one system. However, costs and benefits are unequally shared between the actors. This means that there is a need for new business models in order to share the system costs and benefits.Keywords: energy system, cooperation, simulation method, excess heat, district heating
Procedia PDF Downloads 2271626 Analysis of Reduced Mechanisms for Premixed Combustion of Methane/Hydrogen/Propane/Air Flames in Geometrically Modified Combustor and Its Effects on Flame Properties
Authors: E. Salem
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Combustion has been used for a long time as a means of energy extraction. However, in recent years, there has been a further increase in air pollution, through pollutants such as nitrogen oxides, acid etc. In order to solve this problem, there is a need to reduce carbon and nitrogen oxides through learn burning modifying combustors and fuel dilution. A numerical investigation has been done to investigate the effectiveness of several reduced mechanisms in terms of computational time and accuracy, for the combustion of the hydrocarbons/air or diluted with hydrogen in a micro combustor. The simulations were carried out using the ANSYS Fluent 19.1. To validate the results “PREMIX and CHEMKIN” codes were used to calculate 1D premixed flame based on the temperature, composition of burned and unburned gas mixtures. Numerical calculations were carried for several hydrocarbons by changing the equivalence ratios and adding small amounts of hydrogen into the fuel blends then analyzing the flammable limit, the reduction in NOx and CO emissions, then comparing it to experimental data. By solving the conservations equations, several global reduced mechanisms (2-9-12) were obtained. These reduced mechanisms were simulated on a 2D cylindrical tube with dimensions of 40 cm in length and 2.5 cm diameter. The mesh of the model included a proper fine quad mesh, within the first 7 cm of the tube and around the walls. By developing a proper boundary layer, several simulations were performed on hydrocarbon/air blends to visualize the flame characteristics than were compared with experimental data. Once the results were within acceptable range, the geometry of the combustor was modified through changing the length, diameter, adding hydrogen by volume, and changing the equivalence ratios from lean to rich in the fuel blends, the results on flame temperature, shape, velocity and concentrations of radicals and emissions were observed. It was determined that the reduced mechanisms provided results within an acceptable range. The variation of the inlet velocity and geometry of the tube lead to an increase of the temperature and CO2 emissions, highest temperatures were obtained in lean conditions (0.5-0.9) equivalence ratio. Addition of hydrogen blends into combustor fuel blends resulted in; reduction in CO and NOx emissions, expansion of the flammable limit, under the condition of having same laminar flow, and varying equivalence ratio with hydrogen additions. The production of NO is reduced because the combustion happens in a leaner state and helps in solving environmental problems.Keywords: combustor, equivalence-ratio, hydrogenation, premixed flames
Procedia PDF Downloads 1151625 Fish Oil and Its Methyl Ester as an Alternate Fuel in the Direct Injection Diesel Engine
Authors: Pavan Pujar
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Mackerel Fish oil was used as the raw material to produce the biodiesel in this study. The raw oil (RO) was collected from discarded fish products. This oil was filtered and heated to 110oC and made it moisture free. The filtered and moisture free RO was transesterified to produce biodiesel. The experimental results showed that oleic acid and lauric acid were the two major components of the fish oil biodiesel (FOB). Palmitic acid and linoleic acid were found approximately same in the quantity. The fuel properties kinematic viscosity, flash point, fire point, specific gravity, calorific value, cetane number, density, acid value, saponification value, iodine value, cloud point, pour point, ash content, Cu strip corrosion, carbon residue, API gravity were determined for FOB. A comparative study of the properties was carried out with RO and Neat diesel (ND). It was found that Cetane number was 59 for FOB which was more than RO, which showed 57. Blends (B20, B40, B60, B80: example: B20: 20% FOB + 80% ND) of FOB and ND were prepared on volume basis and comparative study was carried out with ND and FOB. Performance parameters BSFE, BSEC, A:F Ratio, Break thermal efficiency were analyzed and it was found that complete replacement of neat diesel (ND) is possible without any engine modifications.Keywords: fish oil biodiesel, raw oil, blends, performance parameters
Procedia PDF Downloads 4131624 Optimization of Turbocharged Diesel Engines
Authors: Ebrahim Safarian, Kadir Bilen, Akif Ceviz
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The turbocharger and turbocharging have been the inherent component of diesel engines, so that critical parameters of such engines, as BSFC(Brake Specific Fuel Consumption) or thermal efficiency, fuel consumption, BMEP(Brake Mean Effective Pressure), the power density output and emission level have been improved extensively. In general, the turbocharger can be considered as the most complex component of diesel engines, because it has closely interrelated turbomachinery concepts of the turbines and the compressors to thermodynamic fundamentals of internal combustion engines and stress analysis of all components. In this paper, a waste gate for a conventional single stage radial turbine is investigated by consideration of turbochargers operation constrains and engine operation conditions, without any detail designs in the turbine and the compressor. Amount of opening waste gate which extended between the ranges of full opened and closed valve, is demonstrated by limiting compressor boost pressure ratio. Obtaining of an optimum point by regard above mentioned items is surveyed by three linked meanline modeling programs together which consist of Turbomatch®, Compal®, Rital®madules in concepts NREC® respectively.Keywords: turbocharger, wastegate, diesel engine, concept NREC programs
Procedia PDF Downloads 2461623 Highlighting of the Factors and Policies affecting CO2 Emissions level in Malaysian Transportation Sector
Authors: Siti Indati Mustapa, Hussain Ali Bekhet
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Global CO2 emission and increasing fuel consumption to meet energy demand requirement has become a threat in recent decades. Effort to reduce the CO2 emission is now a matter of priority in most countries of the world including Malaysia. Transportation has been identified as the most intensive sector of carbon-based fuels and achievement of the voluntary target to meet 40% carbon intensity reduction set at the 15th Conference of the Parties (COP15) means that the emission from the transport sector must be reduced accordingly. This posed a great challenge to Malaysia and effort has to be made to embrace suitable and appropriate energy policy for sustainable energy and emission reduction of this sector. The focus of this paper is to analyse the trends of Malaysia’s energy consumption and emission of four different transport sub-sectors (road, rail, aviation and maritime). Underlying factors influencing the growth of energy consumption and emission trends are discussed. Besides, technology status towards energy efficiency in transportation sub-sectors is presented. By reviewing the existing policies and trends of energy used, the paper highlights prospective policy options towards achieving emission reduction in the transportation sector.Keywords: CO2 emissions, transportation sector, fuel consumption, energy policy, Malaysia
Procedia PDF Downloads 4681622 A Two-Stage Airport Ground Movement Speed Profile Design Methodology Using Particle Swarm Optimization
Authors: Zhang Tianci, Ding Meng, Zuo Hongfu, Zeng Lina, Sun Zejun
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Automation of airport operations can greatly improve ground movement efficiency. In this paper, we study the speed profile design problem for advanced airport ground movement control and guidance. The problem is constrained by the surface four-dimensional trajectory generated in taxi planning. A decomposed approach of two stages is presented to solve this problem efficiently. In the first stage, speeds are allocated at control points which ensure smooth speed profiles can be found later. In the second stage, detailed speed profiles of each taxi interval are generated according to the allocated control point speeds with the objective of minimizing the overall fuel consumption. We present a swarm intelligence based algorithm for the first-stage problem and a discrete variable driven enumeration method for the second-stage problem since it only has a small set of discrete variables. Experimental results demonstrate the presented methodology performs well on real world speed profile design problems.Keywords: airport ground movement, fuel consumption, particle swarm optimization, smoothness, speed profile design
Procedia PDF Downloads 5831621 Development of Vapor Absorption Refrigeration System for Mini-Bus Car’s Air Conditioning: A Two-Fluid Model
Authors: Yoftahe Nigussie
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This research explores the implementation of a vapor absorption refrigeration system (VARS) in mini-bus cars to enhance air conditioning efficiency. The conventional vapor compression refrigeration system (VCRS) in vehicles relies on mechanical work from the engine, leading to increased fuel consumption. The proposed VARS aims to utilize waste heat and exhaust gas from the internal combustion engine to cool the mini-bus cabin, thereby reducing fuel consumption and atmospheric pollution. The project involves two models: Model 1, a two-fluid vapor absorption system (VAS), and Model 2, a three-fluid VAS. Model 1 uses ammonia (NH₃) and water (H₂O) as refrigerants, where water absorbs ammonia rapidly, producing a cooling effect. The absorption cycle operates on the principle that absorbing ammonia in water decreases vapor pressure. The ammonia-water solution undergoes cycles of desorption, condensation, expansion, and absorption, facilitated by a generator, condenser, expansion valve, and absorber. The objectives of this research include reducing atmospheric pollution, minimizing air conditioning maintenance costs, lowering capital costs, enhancing fuel economy, and eliminating the need for a compressor. The comparison between vapor absorption and compression systems reveals advantages such as smoother operation, fewer moving parts, and the ability to work at lower evaporator pressures without affecting the Coefficient of Performance (COP). The proposed VARS demonstrates potential benefits for mini-bus air conditioning systems, providing a sustainable and energy-efficient alternative. By utilizing waste heat and exhaust gas, this system contributes to environmental preservation while addressing economic considerations for vehicle owners. Further research and development in this area could lead to the widespread adoption of vapor absorption technology in automotive air conditioning systems.Keywords: room, zone, space, thermal resistance
Procedia PDF Downloads 711620 Validation Study of Radial Aircraft Engine Model
Authors: Lukasz Grabowski, Tytus Tulwin, Michal Geca, P. Karpinski
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This paper presents the radial aircraft engine model which has been created in AVL Boost software. This model is a one-dimensional physical model of the engine, which enables us to investigate the impact of an ignition system design on engine performance (power, torque, fuel consumption). In addition, this model allows research under variable environmental conditions to reflect varied flight conditions (altitude, humidity, cruising speed). Before the simulation research the identifying parameters and validating of model were studied. In order to verify the feasibility to take off power of gasoline radial aircraft engine model, some validation study was carried out. The first stage of the identification was completed with reference to the technical documentation provided by manufacturer of engine and the experiments on the test stand of the real engine. The second stage involved a comparison of simulation results with the results of the engine stand tests performed on a WSK ’PZL-Kalisz’. The engine was loaded by a propeller in a special test bench. Identifying the model parameters referred to a comparison of the test results to the simulation in terms of: pressure behind the throttles, pressure in the inlet pipe, and time course for pressure in the first inlet pipe, power, and specific fuel consumption. Accordingly, the required coefficients and error of simulation calculation relative to the real-object experiments were determined. Obtained the time course for pressure and its value is compatible with the experimental results. Additionally the engine power and specific fuel consumption tends to be significantly compatible with the bench tests. The mapping error does not exceed 1.5%, which verifies positively the model of combustion and allows us to predict engine performance if the process of combustion will be modified. The next conducted tests verified completely model. The maximum mapping error for the pressure behind the throttles and the inlet pipe pressure is 4 %, which proves the model of the inlet duct in the engine with the charging compressor to be correct.Keywords: 1D-model, aircraft engine, performance, validation
Procedia PDF Downloads 3361619 Reacting Numerical Simulation of Axisymmetric Trapped Vortex Combustors for Methane, Propane and Hydrogen
Authors: Heval Serhat Uluk, Sam M. Dakka, Kuldeep Singh, Richard Jefferson-Loveday
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The carbon footprint of the aviation sector in total measured 3.8% in 2017, and it is expected to triple by 2050. New combustion approaches and fuel types are necessary to prevent this. This paper will focus on using propane, methane, and hydrogen as fuel replacements for kerosene and implement a trapped vortex combustor design to increase efficiency. Reacting simulations were conducted for axisymmetric trapped vortex combustor to investigate the static pressure drop, combustion efficiency and pattern factor for various cavity aspect ratios for 0.3, 0.6 and 1 and air mass flow rates for 14 m/s, 28 m/s and 42 m/s. Propane, methane and hydrogen are used as alternative fuels. The combustion model was anchored based on swirl flame configuration with an emphasis on high fidelity of boundary conditions with favorable results of eddy dissipation model implementation. Reynolds Averaged Navier Stokes (RANS) k-ε model turbulence model for the validation effort was used for turbulence modelling. A grid independence study was conducted for the three-dimensional model to reduce computational time. Preliminary results for 24 m/s air mass flow rate provided a close temperature profile inside the cavity relative to the experimental study. The investigation will be carried out on the effect of air mass flow rates and cavity aspect ratio on the combustion efficiency, pattern factor and static pressure drop in the combustor. A comparison study among pure methane, propane and hydrogen will be conducted to investigate their suitability for trapped vortex combustors and conclude their advantages and disadvantages as a fuel replacement. Therefore, the study will be one of the milestones to achieving 2050 zero carbon emissions or reducing carbon emissions.Keywords: computational fluid dynamics, aerodynamic, aerospace, propulsion, trapped vortex combustor
Procedia PDF Downloads 911618 Radon and Thoron Determination in Natural Ancient Mine Using Nuclear Track Detectors: Radiation Dose Assessment
Authors: L. Oufni, M. Amrane, R. Rabi
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Radon (and thoron) is a naturally occurring radioactive noble gas, having variable distribution in the geological environment. The exposure of human beings to ionizing radiation from natural sources is a continuing and inescapable feature of life on earth. Radon, thoron and their short-lived decay products in the atmosphere are the most important contributors to human exposure from natural sources. The aim of this study is to determine alpha-and beta-activities per unit volume of air due to radon (222Rn), thoron (220Rn) and their progenies in the air of ancient mine of Aouli in which there is no working activity is situated at approximately 25 km north of the city of Midelt (Morocco), by using LR-115 type II and CR-39 solid state nuclear track detectors (SSNTDs). Equilibrium factors between radon and its daughters and between thoron and its progeny were evaluated in the studied atmospheres. The committed equivalent doses due to the 218Po and 214Po radon short-lived progeny were evaluated in different tissues of the respiratory tract of the visitors of the considered ancient mine. The visitors in these mines spent a good amount of time. It was essential to let the staff know about these values and take the needed steps to prevent any health complications.Keywords: radon, thoron, concentration, exposure dose, SSNTD, mine
Procedia PDF Downloads 5381617 Numerical Study for Improving Performance of Air Cooled Proton Exchange Membrane Fuel Cell on the Cathode Channel
Authors: Mohamed Hassan Gundu, Jaeseung Lee, Muhammad Faizan Chinannai, Hyunchul Ju
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In this study, we present the effects of bipolar plate design to control the temperature of the cell and ensure effective water management under an excessive amount of air flow and low humidification conditions in the proton exchange membrane fuel cell (PEMFC). The PEMFC model developed and applied to consider a three type of bipolar plate that is defined by ratio of inlet channel width to outlet channel width. Simulation results show that the design which has narrow gas inlet channel and wide gas outlet channel width (wide coolant inlet channel and narrow coolant outlet channel width) make the relative humidity and water concentration increase in the channel and the catalyst layer. Therefore, this study clearly demonstrates that the dehydration phenomenon can be decreased by using design of bipolar plate with narrow gas inlet channel and wide gas outlet channel width (wide coolant inlet channel and narrow coolant outlet channel width).Keywords: PEMFC, air-cooling, relative humidity, water management, water concentration, oxygen concentration
Procedia PDF Downloads 2951616 Microstructure and Mechanical Properties of Low Alloy Steel with Double Austenitizing Tempering Heat Treatment
Authors: Jae-Ho Jang, Jung-Soo Kim, Byung-Jun Kim, Dae-Geun Nam, Uoo-Chang Jung, Yoon-Suk Choi
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Low alloy steels are widely used for pressure vessels, spent fuel storage, and steam generators required to withstand the internal pressure and prevent unexpected failure in nuclear power plants, which these may suffer embrittlement by high levels of radiation and heat for a long period. Therefore, it is important to improve mechanical properties of low alloy steels for the integrity of structure materials at an early stage of fabrication. Recently, it showed that a double austenitizing and tempering (DTA) process resulted in a significant improvement of strength and toughness by refinement of prior austenite grains. In this study, it was investigated that the mechanism of improving mechanical properties according to the change of microstructure by the second fully austenitizing temperature of the DAT process for low alloy steel required the structural integrity. Compared to conventional single austenitizing and tempering (SAT) process, the tensile elongation properties have improved about 5%, DBTTs have obtained result in reduction of about -65℃, and grain size has decreased by about 50% in the DAT process conditions. Grain refinement has crack propagation interference effect due to an increase of the grain boundaries and amount of energy absorption at low temperatures. The higher first austenitizing temperature in the DAT process, the more increase the spheroidized carbides and strengthening the effect of fine precipitates in the ferrite grain. The area ratio of the dimple in the transition area has increased by proportion to the effect of spheroidized carbides. This may the primary mechanisms that can improve low-temperature toughness and elongation while maintaining a similar hardness and strength.Keywords: double austenitizing, Ductile Brittle transition temperature, grain refinement, heat treatment, low alloy steel, low-temperature toughness
Procedia PDF Downloads 5111615 Evaluation of a Data Fusion Algorithm for Detecting and Locating a Radioactive Source through Monte Carlo N-Particle Code Simulation and Experimental Measurement
Authors: Hadi Ardiny, Amir Mohammad Beigzadeh
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Through the utilization of a combination of various sensors and data fusion methods, the detection of potential nuclear threats can be significantly enhanced by extracting more information from different data. In this research, an experimental and modeling approach was employed to track a radioactive source by combining a surveillance camera and a radiation detector (NaI). To run this experiment, three mobile robots were utilized, with one of them equipped with a radioactive source. An algorithm was developed in identifying the contaminated robot through correlation between camera images and camera data. The computer vision method extracts the movements of all robots in the XY plane coordinate system, and the detector system records the gamma-ray count. The position of the robots and the corresponding count of the moving source were modeled using the MCNPX simulation code while considering the experimental geometry. The results demonstrated a high level of accuracy in finding and locating the target in both the simulation model and experimental measurement. The modeling techniques prove to be valuable in designing different scenarios and intelligent systems before initiating any experiments.Keywords: nuclear threats, radiation detector, MCNPX simulation, modeling techniques, intelligent systems
Procedia PDF Downloads 1261614 Control of Pipeline Gas Quality to Extend Gas Turbine Life
Authors: Peter J. H. Carnell, Panayiotis Theophanous
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Natural gas due to its cleaner combustion characteristics is expected to be the most widely used fuel in the move towards less polluting and renewable energy sources. Thus, the developed world is supplied by a complex network of gas pipelines and natural gas is becoming a major source of fuel. Natural gas delivered directly from the well will differ in composition from gas derived from LNG or produced by anaerobic digestion processes. Each will also have specific contaminants and properties although gas from all sources is likely to enter the distribution system and be blended to provide the desired characteristics such as Higher Heating Value and Wobbe No. The absence of a standard gas composition poses problems when the gas is used as a chemical feedstock, in specialised furnaces or on gas turbines. The chemical industry has suffered in the past as a result of variable gas composition. Transition metal catalysts used in ammonia, methanol and hydrogen plants were easily poisoned by sulphur, chlorides and mercury reducing both activity and catalyst expected lives from years to months. These plants now concentrate on purification and conditioning of the natural gas feed using fixed bed technologies, allowing them to run for several years and having transformed their operations. Similar technologies can be applied to the power industry reducing maintenance requirements and extending the operating life of gas turbines.Keywords: gas composition, gas conditioning, gas turbines, power generation, purification
Procedia PDF Downloads 2861613 H2/He and H2O/He Separation Experiments with Zeolite Membranes for Nuclear Fusion Applications
Authors: Rodrigo Antunes, Olga Borisevich, David Demange
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In future nuclear fusion reactors, tritium self-sufficiency will be ensured by tritium (3H) production via reactions between the fusion neutrons and lithium. To favor tritium breeding, a neutron multiplier must also be used. Both tritium breeder and neutron multiplier will be placed in the so-called Breeding Blanket (BB). For the European Helium-Cooled Pebble Bed (HCPB) BB concept, the tritium production and neutron multiplication will be ensured by neutron bombardment of Li4SiO4 and Be pebbles, respectively. The produced tritium is extracted from the pebbles by purging them with large flows of He (~ 104 Nm3h-1), doped with small amounts of H2 (~ 0.1 vol%) to promote tritium extraction via isotopic exchange (producing HT). Due to the presence of oxygen in the pebbles, production of tritiated water is unavoidable. Therefore, the purging gas downstream of the BB will be composed by Q2/Q2O/He (Q = 1H, 2H, 3H), with Q2/Q2O down to ppm levels, which must be further processed for tritium recovery. A two-stage continuous approach, where zeolite membranes (ZMs) are followed by a catalytic membrane reactor (CMR), has been recently proposed to fulfil this task. The tritium recovery from Q2/Q2O/He is ensured by the CMR, that requires a reduction of the gas flow coming from the BB and a pre-concentration of Q2 and Q2O to be efficient. For this reason, and to keep this stage with reasonable dimensions, ZMs are required upfront to reduce as much as possible the He flows and concentrate the Q2/Q2O species. Therefore, experimental activities have been carried out at the Tritium Laboratory Karlsruhe (TLK) to test the separation performances of different zeolite membranes for H2/H2O/He. First experiments have been performed with binary mixtures of H2/He and H2O/He with commercial MFI-ZSM5 and NaA zeolite-type membranes. Only the MFI-ZSM5 demonstrated selectivity towards H2, with a separation factor around 1.5, and H2 permeances around 0.72 µmolm-2s-1Pa-1, rather independent for feed concentrations in the range 0.1 vol%-10 vol% H2/He. The experiments with H2O/He have demonstrated that the separation factor towards H2O is highly dependent on the feed concentration and temperature. For instance, at 0.2 vol% H2O/He the separation factor with NaA is below 2 and around 1000 at 5 vol% H2O/He, at 30°C. Overall, both membranes demonstrated complementary results at equivalent temperatures. In fact, at low feed concentrations ( ≤ 1 vol% H2O/He) MFI-ZSM5 separates better than NaA, whereas the latter has higher separation factors for higher inlet water content ( ≥ 5 vol% H2O/He). In this contribution, the results obtained with both MFI-ZSM5 and NaA membranes for H2/He and H2O/H2 mixtures at different concentrations and temperatures are compared and discussed.Keywords: nuclear fusion, gas separation, tritium processes, zeolite membranes
Procedia PDF Downloads 2891612 Quantum Chemical Prediction of Standard Formation Enthalpies of Uranyl Nitrates and Its Degradation Products
Authors: Mohamad Saab, Florent Real, Francois Virot, Laurent Cantrel, Valerie Vallet
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All spent nuclear fuel reprocessing plants use the PUREX process (Plutonium Uranium Refining by Extraction), which is a liquid-liquid extraction method. The organic extracting solvent is a mixture of tri-n-butyl phosphate (TBP) and hydrocarbon solvent such as hydrogenated tetra-propylene (TPH). By chemical complexation, uranium and plutonium (from spent fuel dissolved in nitric acid solution), are separated from fission products and minor actinides. During a normal extraction operation, uranium is extracted in the organic phase as the UO₂(NO₃)₂(TBP)₂ complex. The TBP solvent can form an explosive mixture called red oil when it comes in contact with nitric acid. The formation of this unstable organic phase originates from the reaction between TBP and its degradation products on the one hand, and nitric acid, its derivatives and heavy metal nitrate complexes on the other hand. The decomposition of the red oil can lead to violent explosive thermal runaway. These hazards are at the origin of several accidents such as the two in the United States in 1953 and 1975 (Savannah River) and, more recently, the one in Russia in 1993 (Tomsk). This raises the question of the exothermicity of reactions that involve TBP and all other degradation products, and calls for a better knowledge of the underlying chemical phenomena. A simulation tool (Alambic) is currently being developed at IRSN that integrates thermal and kinetic functions related to the deterioration of uranyl nitrates in organic and aqueous phases, but not of the n-butyl phosphate. To include them in the modeling scheme, there is an urgent need to obtain the thermodynamic and kinetic functions governing the deterioration processes in liquid phase. However, little is known about the thermodynamic properties, like standard enthalpies of formation, of the n-butyl phosphate molecules and of the UO₂(NO₃)₂(TBP)₂ UO₂(NO₃)₂(HDBP)(TBP) and UO₂(NO₃)₂(HDBP)₂ complexes. In this work, we propose to estimate the thermodynamic properties with Quantum Methods (QM). Thus, in the first part of our project, we focused on the mono, di, and tri-butyl complexes. Quantum chemical calculations have been performed to study several reactions leading to the formation of mono-(H₂MBP), di-(HDBP), and TBP in gas and liquid phases. In the gas phase, the optimal structures of all species were optimized using the B3LYP density functional. Triple-ζ def2-TZVP basis sets were used for all atoms. All geometries were optimized in the gas-phase, and the corresponding harmonic frequencies were used without scaling to compute the vibrational partition functions at 298.15 K and 0.1 Mpa. Accurate single point energies were calculated using the efficient localized LCCSD(T) method to the complete basis set limit. Whenever species in the liquid phase are considered, solvent effects are included with the COSMO-RS continuum model. The standard enthalpies of formation of TBP, HDBP, and H2MBP are finally predicted with an uncertainty of about 15 kJ mol⁻¹. In the second part of this project, we have investigated the fundamental properties of three organic species that mostly contribute to the thermal runaway: UO₂(NO₃)₂(TBP)₂, UO₂(NO₃)₂(HDBP)(TBP), and UO₂(NO₃)₂(HDBP)₂ using the same quantum chemical methods that were used for TBP and its derivatives in both the gas and the liquid phase. We will discuss the structures and thermodynamic properties of all these species.Keywords: PUREX process, red oils, quantum chemical methods, hydrolysis
Procedia PDF Downloads 189