Search results for: spent molecular sieve

Authors: L. Heidari, M. Jalili Ghazizade

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In recent years, different petrochemical complexes have been established to produce aromatic compounds. Among them, Nouri Petrochemical Complex (NPC) is the largest producer of aromatic raw materials in the world, and is located in south of Iran. Environmental concerns have been raised in this region due to generation of different types of solid waste generated in the process of aromatics production, and subsequently, industrial waste characterization has been thoroughly considered. The aim of this study is qualitative and quantitative characterization of industrial waste generated in the aromatics production process and determination of the best method for industrial waste management. For this purpose, all generated industrial waste during the production process was determined using a checklist. Four main industrial wastes were identified as follows: spent industrial soil, spent catalyst, spent molecular sieves and spent N-formyl morpholine (NFM) solvent. The amount of heavy metals and organic compounds in these wastes were further measured in order to identify the nature and toxicity of such a dangerous compound. Then industrial wastes were classified based on lab analysis results as well as using different international lists of hazardous waste identification such as EPA, UNEP and Basel Convention. Finally, the best method of waste disposal is selected based on environmental, economic and technical aspects. 

Keywords: Spent industrial soil, spent molecular sieve, spent normal ¬formyl -morpholine solvent.

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Authors: Sayed Reza Hashemi, Amir Heidarinasab

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Spent Sulfidic Caustic was biologically treated and regenerated for reusing by Thiobacillus denitrificans bacteria, sulfide content oxidized and RSNa reduced dramatically.PH in this test was 11.8 and no neutralization has been done on spent caustic, so spent caustic as the most difficult of industrial wastes to dispose could be regenerate and reuse instead of disposing to sea or deep wells

Keywords: Spent Caustic, Thiobacillus denitrificans, Bioregeneration

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Authors: U. Ben-Hamed, H. Seddighi, K. Thomas

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UK breweries generate extensive by products in the form of spent grain, slurry and yeast. Much of the spent grain is produced by large breweries and processed in bulk for animal feed. Spent brewery grains contain up to 20% protein dry weight and up to 60% fiber and are useful additions to animal feed. Bulk processing is economic and allows spent grain to be sold so providing an income to the brewery. A proportion of spent grain, however, is produced by small local breweries and is more variably distributed to farms or other users using intermittent collection methods. Such use is much less economic and may incur losses if not carefully assessed for transport costs. This study reports an economic returns of using wet brewery spent grain (WBSG) in animal feed using the Co-product Optimizer Decision Evaluator model (Cattle CODE) developed by the University of Nebraska to predict performance and economic returns when byproducts are fed to finishing cattle. The results indicated that distance from brewery to farm had a significantly greater effect on the economics of use of small brewery spent grain and that alternative uses than cattle feed may be important to develop.

Keywords: Animal Feed, Brewery Spent Grains, cattle CODE, Economic returns.

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Authors: Haragobinda Srichandan, Ashish Pathak, Dong Jin Kim, Seoung-Won Lee

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The present investigation deals with bioleaching of spent petroleum catalyst using At. ferrooxidans and At. thiooxidans. The spent catalyst used in the present study was pretreated with acetone to remove the oily hydrocarbons. FESEM and XPS analysis indicated the presence of metals in sulfide and oxide forms in spent catalyst. Both At. ferrooxidans and At. thiooxidans were found to be highly effective in producing the acid. Bioleaching with At. ferrooxidans and At. thiooxidans led to higher recovery of metals compare to control. During bioleaching similar recoveries of metals were obtained using At. ferrooxidans and At. thiooxidans. This might be due to the presence of metals as soluble oxides and sulphides in the spent catalyst. At the end of bioleaching, about 87-90% Ni, 34% Al, 65-73% Mo and 92-97% V were leached using above bacteria. It is elucidated that bioleaching with At. thiooxidans is comparatively more advantageous due to lower cost of sulphur.  

Keywords: Spent catalyst, At. ferrooxidans, Bioleaching, Metal recovery.

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Authors: Haragobinda Srichandan, Sradhanjali Singh, Dong Jin Kim, Seoung-Won Lee

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The recovery of metal values and safe disposal of spent catalyst is gaining interest due to both its hazardous nature and increased regulation associated with disposal methods. Prior to the recovery of the valuable metals, removal of entrained deposits limit the diffusion of lixiviate resulting in low recovery of metals must be taken into consideration. Therefore, petroleum refinery spent catalyst was subjected to acetone washing and roasting at 500oC. The treated samples were investigated for metals bioleaching using Acidithiobacillus ferrooxidans in batch reactors and the leaching efficiencies were compared. It was found out that acetone washed spent catalysts results in better metal recovery compare to roasted spent. About 83% Ni, 20% Al, 50% Mo and 73% V were leached using the acetone washed spent catalyst. In both the cases, Ni, V and Mo was high compared to Al.

Keywords: Acetone wash, At. ferrooxidans, Bioleaching, Calcined, Metal recovery.

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Authors: Geun-Il Park, Jae-Won Lee, Dou-Youn Lee, Jung-Won Lee, Kwang-Wook Kim, Kee-Chan Song

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Thermochemcial characteristics of powder fabricated using oxidation treatment of spent PWR fuel and SIMFUEL were evaluated for recycling of spent fuel such as DUPIC process. Especially, the influence of spent fuel burn-ups on the powder fabrication characteristics was experimentally evaluated, ranging from 27,300 to 65,000 MWd/tU. Densities of powder manufactured from an oxidation, OREOX and the milling processes at the same process conditions were compared as a function of the fuel burn-ups respectively. Also, based on chemical analysis results, homogeneity of fissile elements in oxidized powder was confirmed.

Keywords: Spent PWR fuel, DUPIC, Oxidation, OREOX, Powder, Chemical analysis

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Authors: A.S. Kipcak, N. Baran Acarali, S. Kolemen, N. Tugrul, E. Moroydor Derun, S. Piskin

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Fly ash is one of the residues generated in combustion, and comprises the fine particles that rise with the flue gases. Ash which does not rise is termed bottom ash [1]. In our country, it is expected that will be occurred 50 million tons of waste ash per year until 2020. Released waste from the thermal power plants is caused very significant problems as known. The fly ashes can be evaluated by using as adsorbent material. The purpose of this study is to investigate the possibility of use of Tuncbilek fly ash like low-cost adsorbents for heavy metal adsorption. First of all, Tuncbilek fly ash was characterized. For this purpose; analysis such as sieve analysis, XRD, XRF, SEM and FT-IR were performed.

Keywords: Fly ash, heavy metal, sieve, adsorbent

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Authors: Meena Marafi, Mohan S. Rana

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Catalysts play an important role in producing valuable fuel products in petroleum refining; but, due to feedstock’s impurities catalyst gets deactivated with carbon and metal deposition. The disposal of spent catalyst falls under the category of hazardous industrial waste that requires strict agreement with environmental regulations. The spent hydroprocessing catalyst contains Mo, V and Ni at high concentrations that have been found to be economically significant for recovery. Metal recovery process includes deoiling, decoking, grinding, dissolving and treatment with complexing leaching agent such as ethylene diamine tetra acetic acid (EDTA). The process conditions have been optimized as a function of time, temperature and EDTA concentration in presence of ultrasonic agitation. The results indicated that optimum condition established through this approach could recover 97%, 94% and 95% of the extracted Mo, V and Ni, respectively, while 95% EDTA was recovered after acid treatment.

Keywords: Spent catalyst, deactivation, hydrotreating, spent catalyst.

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Authors: Imane Khalil, Quinn Pratt

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In a nuclear reactor, an array of fuel rods containing stacked uranium dioxide pellets clad with zircalloy is the heat source for a thermodynamic cycle of energy conversion from heat to electricity. After fuel is used in a nuclear reactor, the assemblies are stored underwater in a spent nuclear fuel pool at the nuclear power plant while heat generation and radioactive decay rates decrease before it is placed in packages for dry storage or transportation. A computational model of a Boiling Water Reactor spent fuel assembly is modeled using FLUENT, the computational fluid dynamics package. Heat transfer simulations were performed on the two-dimensional 9x9 spent fuel assembly to predict the maximum cladding temperature for different input to the FLUENT model. Uncertainty quantification is used to predict the heat transfer and the maximum temperature profile inside the assembly.

Keywords: Spent nuclear fuel, conduction, heat transfer, uncertainty quantification.

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Authors: R. Mafi Gholami, S. M. Borghei, S. M. Mousavi

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In this study, the ability of Aspergillus niger and Penicillium simplicissimum to extract heavy metals from a spent refinery catalyst was investigated. For the first step, a spent processing catalyst from one of the oil refineries in Iran was physically and chemically characterized. Aspergillus niger and Penicillium simplicissimum were used to mobilize Al/Co/Mo/Ni from hazardous spent catalysts. The fungi were adapted to the mixture of metals at 100-800 mg L-1 with increments in concentration of 100 mg L-1. Bioleaching experiments were carried out in batch cultures. To investigate the production of organic acids in sucrose medium, analyses of the culture medium by HPLC were performed at specific time intervals after inoculation. The results obtained from Inductive coupled plasma-optical emission spectrometry (ICP-OES) showed that after the one-step bioleaching process using Aspergillus niger, maximum removal efficiencies of 27%, 66%, 62% and 38% were achieved for Al, Co, Mo and Ni, respectively. However, the highest removal efficiencies using Penicillium simplicissimum were of 32%, 67%, 65% and 38% for Al, Co, Mo and Ni, respectively

Keywords: Aspergillus niger, Bioleaching, Heavy metals, Penicillium simplicissimum, Spent catalyst

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Authors: V. Salajka, J. Kala, P. Hradil

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The presented article deals with the description of a numerical model of a corridor at a Central Interim Spent Fuel Storage Facility (hereinafter CISFSF). The model takes into account the effect of air flows on the temperature of stored waste. The computational model was implemented in the ANSYS/CFX programming environment in the form of a CFD task solution, which was compared with an approximate analytical calculation. The article includes a categorization of the individual alternatives for the ventilation of such underground systems. The aim was to evaluate a ventilation system for a CISFSF with regard to its stability and capacity to provide sufficient ventilation for the removal of heat produced by stored casks with spent nuclear fuel.

Keywords: Temperature fields, Spent Fuel, Interim storage facility, CFD.

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Authors: Debabrata Pradhan, Dong J. Kim, Jong G. Ahn, Seoung W. Lee

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Spent petroleum catalyst from Korean petrochemical industry contains trace amount of metals such as Ni, V and Mo. Therefore an attempt was made to recover those trace metal using bioleaching process. Different leaching parameters such as Fe(II) concentration, pulp density, pH, temperature and particle size of spent catalyst particle were studied to evaluate their effects on the leaching efficiency. All the three metal ions like Ni, V and Mo followed dual kinetics, i.e., initial faster followed by slower rate. The percentage of leaching efficiency of Ni and V were higher than Mo. The leaching process followed a diffusion controlled model and the product layer was observed to be impervious due to formation of ammonium jarosite (NH4)Fe3(SO4)2(OH)6. In addition, the lower leaching efficiency of Mo was observed due to a hydrophobic coating of elemental sulfur over Mo matrix in the spent catalyst.

Keywords: Bioleaching, diffusion control, shrinking core, spentpetroleum catalyst.

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Authors: Haragobinda Srichandan, Chandra Sekhar Gahan, Dong-Jin Kim, Seoung-Won Lee

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Bioleaching of spent catalyst using moderate thermophilic chemolithotrophic acidophiles in growth medium without Fe source was investigated with two different pulp densities and three different size fractions. All the experiments were conducted on shake flasks at a temperature of 65 °C. The leaching yield of Ni and Al was found to be promising with very high leaching yield of 92-96% followed by Al as 41-76%, which means both Ni and Al leaching were favored by the moderate thermophilic bioleaching compared to the mesophilic bioleaching. The acid consumption was comparatively higher for the 10% pulp density experiments. Comparatively minimal difference in the leaching yield with different size fractions and different pulp densities show no requirement of grinding and using low pulp density less than 10%. This process would rather be economical as well as eco-friendly process for future optimization of the recovery of metal values from spent catalyst.

Keywords: Bioleaching, spent catalyst, leaching yield, thermophile.

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Authors: Nurcan Tugrul, Nil Baran Acarali, Seyma Kolemen, Emek Moroydor Derun, Sabriye Piskin

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Fly ash is a significant waste that is released of thermal power plants and defined as very fine particles that are drifted upward with up taken by the flue gases due to the burning of used coal [1]. The fly-ash is capable of removing organic contaminants in consequence of high carbon content, a large surface area per unit volume and contained heavy metals. Therefore, fly ash is used as an effective coagulant and adsorbent by pelletization [2, 3]. In this study, the possibility of use of fly ash taken from Turkey like low-cost adsorbent for adsorption of zinc ions found in waste water was investigated. The fly ash taken from Turkey was pelletized with bentonite and molass to evaluate the adsorption capaticity. For this purpose; analyses such as sieve analysis, XRD, XRF, FTIR and SEM were performed. As a result, it was seen that pellets prepared from fly ash, bentonite and molass would be used for zinc adsorption.

Keywords: Fly ash, heavy metal, sieve, adsorbent.

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Authors: J. R. Wang, H. T. Lin, Y. S. Tseng, W. Y. Li, H. C. Chen, S. W. Chen, C. Shih

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TRACE is developed by U.S. NRC for the nuclear power plants (NPPs) safety analysis. We focus on the establishment and application of TRACE/FRAPTRAN/SNAP models for Chinshan NPP (BWR/4) spent fuel pool in this research. The geometry is 12.17 m × 7.87 m × 11.61 m for the spent fuel pool. In this study, there are three TRACE/SNAP models: one-channel, two-channel, and multi-channel TRACE/SNAP model. Additionally, the cooling system failure of the spent fuel pool was simulated and analyzed by using the above models. According to the analysis results, the peak cladding temperature response was more accurate in the multi-channel TRACE/SNAP model. The results depicted that the uncovered of the fuels occurred at 2.7 day after the cooling system failed. In order to estimate the detailed fuel rods performance, FRAPTRAN code was used in this research. According to the results of FRAPTRAN, the highest cladding temperature located on the node 21 of the fuel rod (the highest node at node 23) and the cladding burst roughly after 3.7 day.

Keywords: TRACE, FRAPTRAN, SNAP, spent fuel pool.

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Authors: Ahmed I. Shehab, Sabah M. Abdel Basir, M. A. Abdel Khalek, M. H. Soliman, G. Elgemeie

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Spent bleaching earth (SBE) recycling and utilization as an adsorbent to eliminate dyes from aqueous solution was studied. Organic solvents and subsequent thermal treatment were carried out to recover and reactivate the SBE. The effect of pH, temperature, dye’s initial concentration, and contact time on the dye removal using recycled spent bleaching earth (RSBE) was investigated. Recycled SBE showed better removal affinity of cationic than anionic dyes. The maximum removal was achieved at pH 2 and 8 for anionic and cationic dyes, respectively. Kinetic data matched with the pseudo second-order model. The adsorption phenomenon governing this process was identified by the Langmuir and Freundlich isotherms for anionic dye while Freundlich model represented the sorption process for cationic dye. The changes of Gibbs free energy (ΔG°), enthalpy (ΔH°), and entropy (ΔS°) were computed and compared through thermodynamic study for both dyes.

Keywords: Spent bleaching earth, Regeneration, Dye removal, Thermodynamics.

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Authors: Andrea M. Rivas-Castillo, Marlenne Gómez-Ramirez, Isela Rodríguez-Pozos, Norma G. Rojas-Avelizapa

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Spent catalysts are considered as hazardous residues of major concern, mainly due to the simultaneous presence of several metals in elevated concentrations. Although hydrometallurgical, pyrometallurgical and chelating agent methods are available to remove and recover some metals contained in spent catalysts; these procedures generate potentially hazardous wastes and the emission of harmful gases. Thus, biotechnological treatments are currently gaining importance to avoid the negative impacts of chemical technologies. To this end, diverse microorganisms have been used to assess the removal of metals from spent catalysts, comprising bacteria, archaea and fungi, whose resistance and metal uptake capabilities differ depending on the microorganism tested. Acidophilic sulfur oxidizing bacteria have been used to investigate the biotreatment and extraction of valuable metals from spent catalysts, namely Acidithiobacillus thiooxidans and Acidithiobacillus ferroxidans, as they present the ability to produce leaching agents such as sulfuric acid and sulfur oxidation intermediates. In the present work, the ability of A. thiooxidans DSM 26636 for the bioleaching of metals contained in five different spent catalysts was assessed by growing the culture in modified Starkey mineral medium (with elemental sulfur at 1%, w/v), and 1% (w/v) pulp density of each residue for up to 21 days at 30 °C and 150 rpm. Sulfur-oxidizing activity was periodically evaluated by determining sulfate concentration in the supernatants according to the NMX-k-436-1977 method. The production of sulfuric acid was assessed in the supernatants as well, by a titration procedure using NaOH 0.5 M with bromothymol blue as acid-base indicator, and by measuring pH using a digital potentiometer. On the other hand, Inductively Coupled Plasma - Optical Emission Spectrometry was used to analyze metal removal from the five different spent catalysts by A. thiooxidans DSM 26636. Results obtained show that, as could be expected, sulfuric acid production is directly related to the diminish of pH, and also to highest metal removal efficiencies. It was observed that Al and Fe are recurrently removed from refinery spent catalysts regardless of their origin and previous usage, although these removals may vary from 9.5 ± 2.2 to 439 ± 3.9 mg/kg for Al, and from 7.13 ± 0.31 to 368.4 ± 47.8 mg/kg for Fe, depending on the spent catalyst proven. Besides, bioleaching of metals like Mg, Ni, and Si was also obtained from automotive spent catalysts, which removals were of up to 66 ± 2.2, 6.2±0.07, and 100±2.4, respectively. Hence, the data presented here exhibit the potential of A. thiooxidans DSM 26636 for the simultaneous bioleaching of metals contained in spent catalysts from diverse provenance.

Keywords: Acidithiobacillus thiooxidans, spent catalysts, bioleaching, metals, sulfuric acid, sulfur-oxidizing activity.

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Authors: G.Anjali, M.Bhavya, N.Arvind Kumar

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In order to avoid the potentially devastating consequences of global warming and climate change, the carbon dioxide “CO2" emissions caused due to anthropogenic activities must be reduced considerably. This paper presents the first study examining the feasibility of carbon sequestration in construction and demolition “C&D" waste. Experiments were carried out in a self fabricated Batch Reactor at 40ºC, relative humidity of 50-70%, and flow rate of CO2 at 10L/min for 1 hour for water-to-solids ratio of 0.2 to 1.2. The effect of surface area was found by comparing the theoretical extent of carbonation of two different sieve sizes (0.3mm and 2.36mm) of C&D waste. A 38.44% of the theoretical extent of carbonation equating to 4% CO2 sequestration extent was obtained for C&D waste sample for 0.3mm sieve size. Qualitative, quantitative and morphological analyses were done to validate carbonate formation using X-ray diffraction “X.R.D.," thermal gravimetric analysis “T.G.A., “X-Ray Fluorescence Spectroscopy “X.R.F.," and scanning electron microscopy “S.E.M".

Keywords: Alkaline waste, construction and demolition waste, CO2 sequestration, mineral carbonation.

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Authors: Mehdi Seifollahi, Ashkan Forootan, Sajjad Bahrami Reyhan

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Due to the complexity of olefinic plants, various environmental pollutants exist such as NO_x, CO₂, Tar Water, and most importantly Spent Caustic. In this paper, instead of investigating ways of treating this pollutant, we evaluated the production in relation to plant’s variable items. We primarily discussed the factors affecting the quality of the output spent caustic such as impurities in the feed of olefin plant, the amount of injected dimethyl disulfide (DMDS) in furnaces, variation in feed composition, differences among gas temperatures and the concentration of caustic solution at the bottom of the tower. The results of the laboratory proved that in the formation of Red Oil, 1,3butadiene and acetaldehyde followed free radical and aldol condensation mechanism respectively. By increasing the injection rate of DMDS, Mercaptide amount increases in the effluent. In addition, pyrolysis gasoline accumulation is directly related to caustic concentration in the tower. Increasing naphtenes in the liquid feed augments the amount of 1,3butadiene, as one of the sources of Red Oil formation. By increasing the oxygenated compound in the feed, the rate of acetaldehyde formation, as the main source of Red Oil formation, increases.

Keywords: Olefin, spent caustic, red oil, caustic wash tower.

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Authors: Chan Hee Park, Arim Lee, Jung Min Lee, Joo Hyun Moon

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Accident in spent fuel pool (SFP) of Fukushima Daiichi Unit 4 showed the importance of continuous monitoring of the key environmental parameters such as water temperature, water level, and radiation level in the SFP at accident conditions. Because the SFP water temperature is one of the key parameters indicating SFP conditions, its behavior at accident conditions shall be understood to prepare appropriate measures. This study estimated temporal change in the SFP water temperature at Kori Unit 1 with 587 MWe for 1 hour after initiation of a loss-of-pool-cooling accident. For the estimation, ANSYS CFX 13.0 code was used. The estimation showed that the increasing rate of the water temperature was 3.90C per hour and the SFP water temperature could reach 1000C in 25.6 hours after the initiation of loss-of-pool-cooling accident.

Keywords: Spent fuel pool, water temperature, Kori Unit 1, a loss-of-pool-cooling accident.

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Authors: Hamed Harrafi, Masoumeh Khedri, Karim Karaminejad

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Measurement of the COD of a spent caustic solution involves firstly digestion of a test sample with dichromate solution and secondly measurement of dichromate remained by titration by ferrous ammonium sulfate [FAS] to an end point. In this paper we study by a potentiometric end point with Ag/AgCl reference electrode and gold rode electrode. The potentiometric end point is sharp and easily identified especially for the samples with high turbidity and color that other methods such as colorimetric in this type of sample do not result in high precision. Because interim of titration responds quickly to potential changes within the [Cr+6/Cr+3& Fe+2/Fe+3] solution producing stable readings that is lead to accurate COD measurement. Finally results are compared with data determined using colorimetric method for standard samples. It is shown that the potentiometric end point titration with gold rode electrode can be used with equal or better facility

Keywords: chemical oxygen demand, spent caustic and potentiometric determination

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Authors: Nneka N. Uchegbu, Charles N. Ishiwu

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The nutritional composition and hypoglycaemic effect of crackers produced from blend of sprouted pigeon pea, unripe plantain and brewers’ spent grain and fed to Alloxan induced diabetic rat was investigated. Crackers were produced from different blends of sprouted pigeon pea, unripe plantain and brewers’ spent grain. The crackers were evaluated for proximate composition, amino acid profile and antinutritional factors. Blood glucose levels of normal and diabetic rats fed with the control sample and different formulations of cracker were measured. The protein content of the samples were significantly different (p<0.05) from each other with sample A having the lowest value and sample B with the highest value. The values obtained showed that the samples contained most of the amino acids that are found in plant proteins. The levels of antinutritional factor determined were generally low. Administration of the formulated cracker meals led to a significant reduction in the fasting blood glucose level in the diabetic rats. The present study concluded that consumption of crackers produced from this composite flour could be recommended for the diabetics and those who are sceptical about the disease.

Keywords: Crackers, diabetics rat, sprouted pigeon pea, unripe plantain and brewers’ spent grain.

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Authors: S. Al-Asheh, K. Al-Emadi

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In recent years, there have been attempts to store natural gas in adsorptive form. This is called adsorptive natural gas, or ANG. The problem with this technology is the low sorption capacity. The purpose is to achieve compressed natural gas (CNG) capacity of 230 V/V. Further research is required to achieve such target. Several research studies have been performed with this target; through either the modification or development of new sorbents or the optimization of the operation sorption process itself. In this work, storage of methane on molecular sieves 5A and 13X was studied on dry basis, and on wet basis to certain extent. The temperature and the pressure dynamics were investigated. The results indicated that regardless of the charge pressure, the time for the peak temperature during the methane charge process is always the same. This can be used as a characteristic of the adsorbent. The total achieved deliveries using molecular sieves were much lower than that of activated carbons; 53.0 V/V for the case of 13X molecular sieves and 43 V/V for the case of 5A molecular sieves, both at 2oC and 4 MPa (580 psi). Investigation of charge pressure dynamic using wet molecular sieves at 2oC and a mass ratio of 0.5, revealed slowness of the process and unexpected behavior.

Keywords: Methane, Molecular sieves, Adsorption, Delivery, Storage.

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Authors: R. Mohan, V. Jadhav, A. Ahmed, J. Rivas, A. Kelkar

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Cementitious materials are an excellent example of a composite material with complex hierarchical features and random features that range from nanometer (nm) to millimeter (mm) scale. Multi-scale modeling of complex material systems requires starting from fundamental building blocks to capture the scale relevant features through associated computational models. In this paper, molecular dynamics (MD) modeling is employed to predict the effect of plasticizer additive on the mechanical properties of key hydrated cement constituent calcium-silicate-hydrate (CSH) at the molecular, nanometer scale level. Due to complexity, still unknown molecular configuration of CSH, a representative configuration widely accepted in the field of mineral Jennite is employed. The effectiveness of the Molecular Dynamics modeling to understand the predictive influence of material chemistry changes based on molecular / nanoscale models is demonstrated.

Keywords: Cement composite, Mechanical Properties, Molecular Dynamics, Plasticizer additives.

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Authors: W. S. Hsu, Y. Chiang, Y. S. Tseng, J. R. Wang, C. Shih, S. W. Chen

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Kuosheng nuclear power plant (NPP) is a BWR/6 plant in Taiwan. There is more concern for the safety of NPPs in Taiwan after Japan Fukushima NPP disaster occurred. Hence, in order to estimate the safety of Kuosheng NPP spent fuel pool (SFP), by using TRACE, MELCOR, and SNAP codes, the safety analysis of Kuosheng NPP SFP was performed. There were two main steps in this research. First, the Kuosheng NPP SFP models were established. Second, the transient analysis of Kuosheng SFP was done by TRACE and MELCOR under the cooling system failure condition (Fukushima-like condition). The results showed that the calculations of MELCOR and TRACE were very similar in this case, and the fuel uncover happened roughly at 4^th day after the failure of cooling system. The above results indicated that Kuosheng NPP SFP may be unsafe in the case of long-term SBO situation. In addition, future calculations were needed to be done by the other codes like FRAPTRAN for the cladding calculations.

Keywords: TRACE, MELCOR, SNAP, spent fuel pool.

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Authors: M. Hadi Kusuma, Nandy Putra, Anhar Riza Antariksawan, Ficky Augusta Imawan

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Heat pipe is considered to be applied as a passive system to remove residual heat that generated from reactor core when incident occur or from spent fuel storage pool. The objectives are to characterized the heat transfer phenomena, performance of heat pipe, and as a model for large heat pipe will be applied as passive cooling system on nuclear spent fuel pool storage. In this experimental wickless heat pipe or two-phase closed thermosyphon (TPCT) is used. Variation of heat flux are 611.24 Watt/m² - 3291.29 Watt/m². Variation of filling ratio are 45 - 70%. Variation of initial pressure are -62 to -74 cm Hg. Demineralized water is used as working fluid in the TPCT. The results showed that increasing of heat load leads to an increase of evaporation of the working fluid. The optimum filling ratio obtained for 60% of TPCT evaporator volume, and initial pressure variation gave different TPCT wall temperature characteristic. TPCT showed best performance with 60% filling ratio and can be consider to be applied as passive residual heat removal system or passive cooling system on spent fuel storage pool.

Keywords: Two-phase closed thermo syphon, heat pipe, passive cooling, spent fuel storage pool.

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Authors: Homa Torabizadeh

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This study proposes a basic molecular formula for all proteins. A total of 10,739 proteins belonging to 9 different protein groups classified on the basis of their functions were selected randomly. They included enzymes, storage proteins, hormones, signalling proteins, structural proteins, transport proteins, immunoglobulins or antibodies, motor proteins and receptor proteins. After obtaining the protein molecular formula using the ProtParam tool, the H/C, N/C, O/C, and S/C ratios were determined for each randomly selected sample. In this case, H, N, O, and S coefficients were specified per carbon atom. Surprisingly, the results demonstrated that H, N, O, and S coefficients for all 10,739 proteins are similar and highly correlated. This study demonstrates that despite differences in the structure and function, all known proteins have a similar basic molecular formula CnH1.58 ± 0.015nN0.28 ± 0.005nO0.30 ± 0.007nS0.01 ± 0.002n. The total correlation between all coefficients was found to be 0.9999.

Keywords: Protein molecular formula, Basic unit formula, Protparam tool.

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Authors: Vicente F. P. Aleixo, Augusto C. F. Saraiva, Jordan Del Nero

Abstract:

The production of devices in nanoscale with specific molecular rectifying function is one of the most significant goals in state-of-art technology. In this work we show by ab initio quantum mechanics calculations coupled with non-equilibrium Green function, the design of an organic two-terminal device. These molecular structures have molecular source and drain with several bridge length (from five up to 11 double bonds). Our results are consistent with significant features as a molecular rectifier and can be raised up as: (a) it can be used as bi-directional symmetrical rectifier; (b) two devices integrated in one (FET with one operational region, and Thyristor thiristor); (c) Inherent stability due small intrinsic capacitance under forward/reverse bias. We utilize a scheme for the transport mechanism based on previous properties of ¤Ç bonds type that can be successfully utilized to construct organic nanodevices.

Keywords: ab initio, Carotenoid, Charge Transfer, Nanodevice

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Authors: Salem El-tohami Ashoor

Abstract:

Here, we have shown the reaction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri 2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, for optimization we used density functional theory (DFT), under methods, explicitly including electrons correlations, for the final calculations as MB3LYP (Becke) (Lee–Yang–Parr) level of theory we used to obtain more exact results. This complex was calculated as electronic energy for molecular system, because the calculation accounting all electrons correlations interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp = C5H5) was found to be thermally stable. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Chromium (III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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Authors: Mohamed Rashad, Mohamed Hafez, Mohamed Emran, Emad Aboukila, Ibrahim Nassar

Abstract:

Environment-friendly organic wastes of Brewers' spent grain, a byproduct of the brewing process, have recently used as soil amendment to improve soil fertility and plant production. In this work, treatments of 1% (T1) and 2% (T2) of spent grains, 1% (C1) and 2% (C2) of compost and mix of both sources (C1T1) were used and compared to the control for growing Zea mays L. on sandy soil under arid Mediterranean climate. Soils were previously incubated at 65% saturation capacity for a month. The most relevant soil physical and chemical parameters were analysed. Water holding capacity and soil organic matter (OM) increased significantly along the treatments with the highest values in T2. Soil pH decreased along the treatments and the lowest pH was in C1T1. Bicarbonate decreased by 69% in C1T1 comparing to control. Total nitrogen (TN) and available P varied significantly among all treatments and T2, C1T1 and C2 treatments increased 25, 17 and 11 folds in TN and 1.2, 0.6 and 0.3 folds in P, respectively related to control. Available K showed the highest values in C1T1. Soil micronutrients increased significantly along all treatments with the highest values in T2. After corn germination, significant variation was observed in the velocity of germination coefficients (VGC) among all treatments in the order of C1T1>T2>T1>C2>C1>control. The highest records of final germination and germination index were in C1T1 and T2. The spent grains may compensate deficiencies of macro and micronutrients in newly reclaimed sandy soils without adverse effects to sustain crop production with a rider that excessive or continuous use need to be circumvented.

Keywords: Spent grain, compost, micronutrients, macronutrients, water holding capacity, plant growth.

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