Search results for: Miocene carbonate build-ups
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 340

Search results for: Miocene carbonate build-ups

160 Irrigation Water Quality Evaluation in Jiaokou Irrigation District, Guanzhong Basin

Authors: Qiying Zhang, Panpan Xu, Hui Qian

Abstract:

Groundwater is an important water resource in the world, especially in arid and semi-arid regions. In the present study, 141 groundwater samples were collected and analyzed for various physicochemical parameters to assess the irrigation water quality using six indicators (sodium percentage (Na%), sodium adsorption ratio (SAR), magnesium hazard (MH), residual sodium carbonate (RSC), permeability index (PI), and potential salinity (PS)). The results show that the patterns for the average cation and anion concentrations were in decreasing orders of Na > Mg2 > Ca2 > Kand SO42 > HCO3 > Cl > NO3 > CO32 > F, respectively. The values of Na%, MH, and PS show that most of the groundwater samples are not suitable for irrigation. The same conclusion is drawn from the USSL and Wilcox diagrams. PS values indicate that Cland SO42have a great influence on irrigation water in Jiaokou Irrigation District. RSC and PI values indicate that more than half of groundwater samples are suitable for irrigation. The finding is beneficial for the policymakers for future water management schemes to achieve a sustainable development goal.

Keywords: groundwater chemistry, Guanzhong Basin, irrigation water quality evaluation, Jiaokou Irrigation District

Procedia PDF Downloads 174
159 Industrial Assessment of the Exposed Rocks on Peris Anticline Kurdistan Region of Iraq for Cement Industry

Authors: Faroojan Khajeek Sisak Siakian, Aayda Dikran Abdulahad

Abstract:

The Peris Mountain is one of the main mountains in the Iraqi Kurdistan Region, it forms one of the long anticlines trending almost East – West. The exposed formations on the top of the mountain are Bekhme, and Shiranish, with carbonate rocks of different types and thicknesses. We selected the site for sampling to be relevant for a quarry taking into consideration the thickness of the exposed rocks, no overburden, favorable quarrying faces, hardness of the rocks, bedding nature, good extension of the outcrops, and a favorable place for construction of a cement plant. We sampled the exposed rocks on the top of the mountain where a road crosses the mountain, and a total of 15 samples were collected. The distance between sampling intervals was 5 m, and each sample was collected to represent the sampling interval. The samples were subjected to X-ray fluorescence spectroscopy (XRF) to indicate the main oxides percentages in each sample. The acquired results showed the studied rocks can be used in the cement industry.

Keywords: limestone, quarry, CaO, MgO, overburden

Procedia PDF Downloads 58
158 Development of a Process to Manufacture High Quality Refined Salt from Crude Solar Salt

Authors: Rathnayaka D. D. T. , Vidanage P. W. , Wasalathilake K. C. , Wickramasingha H. W. , Wijayarathne U. P. L. , Perera S. A. S.

Abstract:

This paper describes the research carried out to develop a process to increase the NaCl percentage of crude salt which is obtained from the conventional solar evaporation process. In this study refined salt was produced from crude solar salt by a chemico-physical method which consists of coagulation, precipitation and filtration. Initially crude salt crystals were crushed and dissolved in water. Optimum amounts of calcium hydroxide, sodium carbonate and Poly Aluminium Chloride (PAC) were added to the solution respectively. Refined NaCl solution was separated out by a filtration process. The solution was tested for Total Suspended Solids, SO42-, Mg2+, Ca2+. With optimum dosage of reagents, the results showed that a level of 99.60% NaCl could be achieved. Further this paper discusses the economic viability of the proposed process. A 83% profit margin can be achieved by this process and it is an increase of 112.3% compared to the traditional process.

Keywords: chemico-physical, economic, optimum, refined, solar salt

Procedia PDF Downloads 226
157 Synthesis and Structural Characterization of 6-Nitroindazole Derivatives

Authors: Mohamed El Moctar Abeidi

Abstract:

The indazole derivatives exhibit a wide spectrum of biological activities. They are known for their anti-tumor, antiplatelet, anti-viral, anti-microbial, anti-inflammatory, anti-leishmania and even anti-spermatogen. As part of our research on the synthesis of a number of heterocycles capable of exhibiting a biological and pharmacological property, due to our ongoing interest in the development of a simple and low-cost procedure for obtaining heterocyclic compounds that may have an interest for medicinal purposes. We present in this work the synthesis of 6-nitro-indazoles derivatives, using two different methods. the first method is the alkylation of Nitroindazole by two different alkylating agents under the conditions of solid/liquid phase transfer catalysis in N, N-dimethylformamide (DMF) in the presence of potassium carbonate (K₂CO₃) as a base, and tetra-n-butylammonium bromide (BTBA) as a catalyst. While the other method is the 1,3-dipolar cycloaddition, in this case, we have undertaken the preparation of bi-heterocyclic containing the 6-nitroindazole associate with group of isoxazoline, isoxazole or 1,2,3-Triazole under normal conditions and, under the catalytic conditions of the click chemistry we were also able to determine the structures without any ambiguity by the ¹H and ¹³C NMR.

Keywords: indazole, 6-nitroindazole, isoxazole, 1, 2, 3-Triazole

Procedia PDF Downloads 121
156 Internal Corrosion Rupture of a 6-in Gas Line Pipe

Authors: Fadwa Jewilli

Abstract:

A sudden leak of a 6-inch gas line pipe after being in service for one year was observed. The pipe had been designed to transport dry gas. The failure had taken place in 6 o’clock position at the stage discharge of the flow process. Laboratory investigations were conducted to find out the cause of the pipe rupture. Visual and metallographic observations confirmed that the pipe split was due to a crack initiated in circumferential and then turned into longitudinal direction. Sever wall thickness reduction was noticed on the internal pipe surface. Scanning electron microscopy observations at the fracture surface revealed features of ductile fracture mode. Corrosion product analysis showed the traces of iron carbonate and iron sulphate. The laboratory analysis resulted in the conclusion that the pipe failed due to the effect of wet fluid (condensate) caused severe wall thickness dissolution resulted in pipe could not stand the continuation at in-service working condition.

Keywords: gas line pipe, corrosion prediction ductile fracture, ductile fracture, failure analysis

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155 In the Study of Co₂ Capacity Performance of Different Frothing Agents through Process Simulation

Authors: Muhammad Idrees, Masroor Abro, Sikandar Almani

Abstract:

Presently, the increasing CO₂ concentration in the atmosphere has been taken as one of the major challenges faced by the modern world. The average CO₂ in the atmosphere reached the highest value of 414.72 ppm in 2021, as reported in a conference of the parties (COP26). This study focuses on (i) the comparative study of MEA, NaOH, Acetic acid, and Na₂CO₃ in terms of their CO₂ capture performance, (ii) the significance of adding various frothing agents achieving improved absorption capacity of Na₂CO₃ and (iii) the overall economic evaluation of process with the help of Aspen Plus. The results obtained suggest that the addition of frothing agents significantly increased the absorption rate of dilute sodium carbonate such that from 45% to 99.9%. The effect of temperature, pressure and flow rate of liquid and flue gas streams on CO₂ absorption capacity was also investigated. It was found that the absorption capacity of Na₂CO₃ decreased with increasing temperature of the liquid stream and decreasing flow rate of the liquid stream and pressure of the gas stream.

Keywords: CO₂, absorbents, frothing agents, process simulation

Procedia PDF Downloads 45
154 Production of Sr-Ferrite Sub-Micron Powder by Conventional and Sol-Gel Auto-Combustion Methods

Authors: M. Ghobeiti-Hasab

Abstract:

Magnetic powder of Sr-ferrite was prepared by conventional and sol-gel auto-combustion methods. In conventional method, strontium carbonate and ferric oxide powders were mixed together and then mixture was calcined. In sol-gel auto-combustion method, a solution containing strontium nitrate, ferric nitrate and citric acid was heated until the combustion took place automatically; then, as-burnt powder was calcined. Thermal behavior, phase identification, morphology and magnetic properties of powders obtained by these two methods were compared by DTA, XRD, SEM, and VSM techniques. According to the results of DTA analysis, formation temperature of Sr-ferrite obtained by conventional and sol-gel auto-combustion methods were 1300 °C and 1000 °C, respectively. XRD results confirmed the formation of pure Sr-ferrite at the mentioned temperatures. Plate and hexagonal-shape particles of Sr-ferrite were observed using SEM. The Sr-ferrite powder obtained by sol-gel auto-combustion method had saturation magnetization of 66.03 emu/g and coercivity of 5731 Oe in comparison with values of 58.20 emu/g and 4378 Oe obtained by conventional method.

Keywords: Sr-ferrite, sol-gel, magnetic properties, calcination

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153 Evaluation of Groundwater Suitability for Irrigation Purposes: A Case Study for an Arid Region

Authors: Mustafa M. Bob, Norhan Rahman, Abdalla Elamin, Saud Taher

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The objective of this study was to assess the suitability of Madinah city groundwater for irrigation purposes. Of the twenty three wells that were drilled in different locations in the city for the purposes of this study, twenty wells were sampled for water quality analyses. The United States Department of Agriculture (USDA) classification of irrigation water that is based on Sodium hazard (SAR) and salinity hazard was used for suitability assessment. In addition, the residual sodium carbonate (RSC) was calculated for all samples and also used for irrigation suitability assessment. Results showed that all groundwater samples are in the acceptable quality range for irrigation based on RSC values. When SAR and salinity hazard were assessed, results showed that while all groundwater samples (except one) fell in the acceptable range of SAR, they were either in the high or very high salinity zone which indicates that care should be taken regarding the type of soil and crops in the study area.

Keywords: irrigation suitability, TDS, salinity, SAR

Procedia PDF Downloads 347
152 Neotectonic Characteristics of the Western Part of Konya, Central Anatolia, Turkey

Authors: Rahmi Aksoy

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The western part of Konya consists of an area of block faulted basin and ranges. Present day topography is characterized by alternating elongate mountains and depressions trending east-west. A number of depressions occur in the region. One of the large depressions is the E-W trending Kızılören-Küçükmuhsine (KK basin) basin bounded on both sides by normal faults and located on the west of the Konya city. The basin is about 5-12 km wide and 40 km long. Ranges north and south of the basin are composed of undifferentiated low grade metamorphic rocks of Silurian-Cretaceous age and smaller bodies of ophiolites of probable Cretaceous age. The basin fill consists of the upper Miocene-lower Pliocene fluvial, lacustrine, alluvial sediments and volcanic rocks. The younger and undeformed Plio-Quaternary basin fill unconformably overlies the older basin fill and is composed predominantly of conglomerate, mudstone, silt, clay and recent basin floor deposits. The paleostress data on the striated fault planes in the basin indicates NW-SE extension and associated with an NE-SW compression. The eastern end of the KK basin is cut and terraced by the active Konya fault zone. The Konya fault zone is NE trending, east dipping normal fault forming the western boundary of the Konya depression. The Konya depression consists mainly of Plio-Quaternary alluvial complex and recent basin floor sediments. The structural data gathered from the Konya fault zone support normal faulting with a small amount of dextral strike-slip tensional tectonic regime that shaped under the WNW-ESE extensional stress regime.

Keywords: central Anatolia, fault kinematics, Kızılören-Küçükmuhsine basin, Konya fault zone, neotectonics

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151 Effects of Additives on Thermal Decompositions of Carbon Black/High Density Polyethylene Compounds

Authors: Orathai Pornsunthorntawee, Wareerom Polrut, Nopphawan Phonthammachai

Abstract:

In the present work, the effects of additives, including contents of the added antioxidants and type of the selected metallic stearates (either calcium stearate (CaSt) or zinc stearate (ZnSt)), on the thermal stabilities of carbon black (CB)/high density polyethylene (HDPE) compounds were studied. The results showed that the AO contents played a key role in the thermal stabilities of the CB/HDPE compounds—the higher the AO content, the higher the thermal stabilities. Although the CaSt-containing compounds were slightly superior to those with ZnSt in terms of the thermal stabilities, the remaining solid residue of CaSt after heated to the temperature of 600 °C (mainly calcium carbonate (CaCO3) as characterized by the X-ray diffraction (XRD) technique) seemed to catalyze the decomposition of CB in the HDPE-based compounds. Hence, the quantification of CB in the CaSt-containing compounds with a muffle furnace gave an inaccurate CB content—much lower than actual value. However, this phenomenon was negligible in the ZnSt-containing system.

Keywords: antioxidant, stearate, carbon black, polyethylene

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150 Geomorphologic Evolution of the Southern Habble-Rud River Basin, North of Iran

Authors: Maryam Jaberi, Siavosh Shayan, Mojtaba Yamani

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Habble-Rud River basin (HR), up to 100 km length, one of the largest watersheds which drain into deserts to the north of Central Iran (Dasht-e Kavir). This stream is oblique with the NE-SW trending, flow in the southern range of central Alborz Mountains and the northern border of Central Iran. The end of the ~17 km suddenly change direction and with the southern trending to have a morphology which meanders passes through the Alborz Mountain ridge and flows into the Garmsar plain where it forms one of the largest alluvial fans in Iran, i.e. the vast Garmsar alluvial fan with an area of 476 km2. This study was carried out through morphometric analyses, longitudinal river profiles, and study of geomorpholic evidence such as fluvial terraces, gypsum-salt domes, seismic data, and satellite images. This study aimed to investigate the changes in the pattern of rivers in the southern part of the HR river basin. The southern part of HR river basin located at the southern foothills of the Central Alborz is characterized the thrust faults (Sorkheh-Kalut and Garmsar faults), folds,diapirs and arid climate. The activity of more than 10 salt domes that belong to the Oligocene-Miocene period has considerably influenced the pattern of streams in this region. Dissolution of these domes has not only reduced the quality of water and soil resources, but also has led to the formation of badlands and gullies.Our results indicated that the pattern of rivers in the southern part of HR river basin was influenced by discharge of the HR river in Quaternary, geological structure, subsidence of Central Iran and vertical uplift of Alborz mountain. These agents caused the formation meanders in the southern part of the HR River and evaluation of the seasonal rivers like Shoor-Darre and Garmabsar.

Keywords: geomorphologic evaluation, rivers pattern, Habble-Rud River basin, seasonal rivers

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149 Targeting Mineral Resources of the Upper Benue trough, Northeastern Nigeria Using Linear Spectral Unmixing

Authors: Bello Yusuf Idi

Abstract:

The Gongola arm of the Upper Banue Trough, Northeastern Nigeria is predominantly covered by the outcrops of Limestone-bearing rocks in form of Sandstone with intercalation of carbonate clay, shale, basaltic, felsphatic and migmatide rocks at subpixel dimension. In this work, subpixel classification algorithm was used to classify the data acquired from landsat 7 Enhance Thematic Mapper (ETM+) satellite system with the aim of producing fractional distribution image for three most economically important solid minerals of the area: Limestone, Basalt and Migmatide. Linear Spectral Unmixing (LSU) algorithm was used to produce fractional distribution image of abundance of the three mineral resources within a 100Km2 portion of the area. The results show that the minerals occur at different proportion all over the area. The fractional map could therefore serve as a guide to the ongoing reconnaissance for the economic potentiality of the formation.

Keywords: linear spectral un-mixing, upper benue trough, gongola arm, geological engineering

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148 Engineering Parameters and Classification of Marly Soils of Tabriz

Authors: Amirali Mahouti, Hooshang Katebi

Abstract:

Enlargement of Tabriz metropolis to the east and north-east caused urban construction to be built on Marl layers and because of increase in excavations depth, further information of this layer is inescapable. Looking at geotechnical investigation shows there is not enough information about Tabriz Marl and this soil has been classified only by color. Tabriz Marl is lacustrine carbonate sediment outcrops, surrounds eastern, northern and southern region of city in the East Azerbaijan Province of Iran and is known as bed rock of city under alluvium sediments. This investigation aims to characterize geotechnical parameters of this soil to identify and set it in classification system of carbonated soils. For this purpose, specimens obtained from 80 locations over the city and subjected to physical and mechanical tests, such as Atterberg limits, density, moisture content, unconfined compression, direct shear and consolidation. CaCO3 content, organic content, PH, XRD, XRF, TGA and geophysical downhole tests also have been done on some of them.

Keywords: carbonated soils, classification of soils, mineralogy, physical and mechanical tests for Marls, Tabriz Marl

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147 Quantifying Late Cenozoic Out‐of‐Sequence Thrusting at Chaura, Sutlej Valley, Himachal Pradesh, India

Authors: Rajkumar Ghosh

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Out-of-sequence thrusts (OOST) are reported at different geographic locations with various local names along Siwalik Himalaya (SH), Lesser Himalaya (LH), Higher Himalaya (HH) from Bhutan, India, Nepal, and Pakistan Himalayan range. Most of OOSTs have been identified within the upper LH, and the lower HH based on geochronological age jump across. These thrusts activated from Late Miocene to recent. The Chaura Thrust (CT) was deciphered from age jump of Apatite Fission Track (AFT) and considered as blind thrust base on variable exhumation rates in Chaura region, Satluj river valley, Himachal Pradesh. CT is located north of Jhakri Thrust (JhT) and is also differently identified as Sarahan thrust (ST). Structural documentation from the rocks near the OOST in Chaura was not so far done. Detail structural study of the Jeori Group of rocks was carried out in this study to understand the manifestation of the Chaura thrust and associated structures in meso- to micro-scale. Box fold, scar fold, kink fold, crenulation cleavages, and boudins are developed in the Chaura region. These structures usually do not indicate shear sense. When studied under an optical microscope, the Chaura samples reveal that the mica fish are usually lenticular with aspect ratio (R) varying from 6–11 and inclination angle (α) from 15–40°. According to ‘R’ and ‘α’, elongated sigmoid shaped mica fish and parallelogram shaped mica fish were also documented. Asymmetric mica fish demonstrate top-to-S/SW ductile shear, which is similar as that of Chaura thrust. Grain boundary migration (GBM) structures in quartzo-feldspathic grains from Jeori Group of rocks indicate deformation temperature ranging from 400 to 650°C. This can indicate that the OOST at Chaura, i.e., the Chaura Thrust, underwent thrusting in the ductile regime.

Keywords: out-of-sequence thrust, chaura thrust, sarahan thrust, jakhri thrust, higher himalaya, s/c- fabric

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146 Gas Systems of the Amadeus Basin, Australia

Authors: Chris J. Boreham, Dianne S. Edwards, Amber Jarrett, Justin Davies, Robert Poreda, Alex Sessions, John Eiler

Abstract:

The origins of natural gases in the Amadeus Basin have been assessed using molecular and stable isotope (C, H, N, He) systematics. A dominant end-member thermogenic, oil-associated gas is considered for the Ordovician Pacoota−Stairway sandstones of the Mereenie gas and oil field. In addition, an abiogenic end-member is identified in the latest Proterozoic lower Arumbera Sandstone of the Dingo gasfield, being most likely associated with radiolysis of methane with polymerisation to wet gases. The latter source assignment is based on a similar geochemical fingerprint derived from the laboratory gamma irradiation experiments on methane. A mixed gas source is considered for the Palm Valley gasfield in the Ordovician Pacoota Sandstone. Gas wetness (%∑C₂−C₅/∑C₁−C₅) decreases in the order Mereenie (19.1%) > Palm Valley (9.4%) > Dingo (4.1%). Non-produced gases at Magee-1 (23.5%; Late Proterozoic Heavitree Quartzite) and Mount Kitty-1 (18.9%; Paleo-Mesoproterozoic fractured granitoid basement) are very wet. Methane thermometry based on clumped isotopes of methane (¹³CDH₃) is consistent with the abiogenic origin for the Dingo gas field with methane formation temperature of 254ᵒC. However, the low methane formation temperature of 57°C for the Mereenie gas suggests either a mixed thermogenic-biogenic methane source or there is no thermodynamic equilibrium between the methane isotopomers. The shallow reservoir depth and present-day formation temperature below 80ᵒC would support microbial methanogenesis, but there is no accompanying alteration of the C- and H-isotopes of the wet gases and CO₂ that is typically associated with biodegradation. The Amadeus Basin gases show low to extremely high inorganic gas contents. Carbon dioxide is low in abundance (< 1% CO₂) and becomes increasing depleted in ¹³C from the Palm Valley (av. δ¹³C 0‰) to the Mereenie (av. δ¹³C -6.6‰) and Dingo (av. δ¹³C -14.3‰) gas fields. Although the wide range in carbon isotopes for CO₂ is consistent with multiple origins from inorganic to organic inputs, the most likely process is fluid-rock alteration with enrichment in ¹²C in the residual gaseous CO₂ accompanying progressive carbonate precipitation within the reservoir. Nitrogen ranges from low−moderate (1.7−9.9% N₂) abundance (Palm Valley av. 1.8%; Mereenie av. 9.1%; Dingo av. 9.4%) to extremely high abundance in Magee-1 (43.6%) and Mount Kitty-1 (61.0%). The nitrogen isotopes for the production gases have δ¹⁵N = -3.0‰ for Mereenie, -3.0‰ for Palm Valley and -7.1‰ for Dingo, suggest all being mixed inorganic and thermogenic nitrogen sources. Helium (He) abundance varies over a wide range from a low of 0.17% to one of the world’s highest at 9% (Mereenie av. 0.23%; Palm Valley av. 0.48%, Dingo av. 0.18%, Magee-1 6.2%; Mount Kitty-1 9.0%). Complementary helium isotopes (R/Ra = ³He/⁴Hesample / ³He/⁴Heair) range from 0.013 to 0.031 R/Ra, indicating a dominant crustal origin for helium with a sustained input of radiogenic 4He from the decomposition of U- and Th-bearing minerals, effectively diluting any original mantle helium input. The high helium content in the non-produced gases compared to the shallower producing wells most likely reflects their stratigraphic position relative to the Tonian Bitter Springs Group with the former below and the latter above an effective carbonate-salt seal.

Keywords: amadeus gas, thermogenic, abiogenic, C, H, N, He isotopes

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145 Index and Mechanical Geotechnical Properties and Their Control on the Strength and Durability of the Cainozoic Calcarenites in KwaZulu-Natal, South Africa

Authors: Luvuno N. Jele, Warwick W. Hastie, Andrew Green

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Calcarenite is a clastic sedimentary beach rock composed of more than 50% sand sized (0.0625 – 2 mm) carbonate grains. In South Africa, these rocks occur as a narrow belt along most of the coast of KwaZulu-Natal and sporadically along the coast of the Eastern Cape. Calcarenites contain a high percentage of calcium carbonate, and due to a number of its physical and structural features, like porosity, cementing material, sedimentary structures, grain shape, and grain size; they are more prone to chemical and mechanical weathering. The objective of the research is to study the strength and compressibility characteristics of the calcarenites along the coast of KwaZulu-Natal to be able to better understand the geotechnical behaviour of these rocks, which may help to predict areas along the coast which may be potentially susceptible to failure/differential settling resulting in damage to property. A total of 148 cores were prepared and analyzed. Cores were analyzed perpendicular and parallel to bedding. Tests were carried out in accordance with the relevant codes and recommendations of the International Society for Rock Mechanics, American Standard Testing Methods, and Committee of Land and Transport Standard Specifications for Road and Bridge Works for State Road Authorities. Test carried out included: x-ray diffraction, petrography, shape preferred orientation (SPO), 3-D Tomography, rock porosity, rock permeability, ethylene glycol, slake durability, rock water absorption, Duncan swelling index, triaxial compressive strength, Brazilian tensile strength and uniaxial compression test with elastic modulus. The beach-rocks have a uniaxial compressive strength (UCS) ranging from 17,84Mpa to 287,35Mpa and exhibit three types of failure; (1) single sliding shear failure, (2) complete cone development, and (3) splitting failure. Brazilian tensile strength of the rocks ranges from 2.56 Mpa to 12,40 Ma, with those tested perpendicular to bedding showing lower tensile strength. Triaxial compressive tests indicate calcarenites have strength ranging from 86,10 Mpa to 371,85 Mpa. Common failure mode in the triaxial test is a single sliding shear failure. Porosity of the rocks varies from 1.25 % to 26.52 %. Rock tests indicate that the direction of loading, whether it be parallel to bedding or perpendicular to bedding, plays no significantrole in the strength and durability of the calcarenites. Porosity, cement type, and grain texture play major roles.UCS results indicate that saturated cores are weaker in strength compared to dry samples. Thus, water or moisture content plays a significant role in the strength and durability of the beach-rock. Loosely packed, highly porous and low magnesian-calcite bearing calcarenites show a decrease in strength compared to the densely packed, low porosity and high magnesian-calcite bearing calcarenites.

Keywords: beach-rock, calcarenite, cement, compressive, failure, porosity, strength, tensile, grains

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144 Interactions between Sodium Aerosols and Fission Products: A Theoretical Chemistry and Experimental Approach

Authors: Ankita Jadon, Sidi Souvi, Nathalie Girault, Denis Petitprez

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Safety requirements for Generation IV nuclear reactor designs, especially the new generation sodium-cooled fast reactors (SFR) require a risk-informed approach to model severe accidents (SA) and their consequences in case of outside release. In SFRs, aerosols are produced during a core disruptive accident when primary system sodium is ejected into the containment and burn in contact with the air; producing sodium aerosols. One of the key aspects of safety evaluation is the in-containment sodium aerosol behavior and their interaction with fission products. The study of the effects of sodium fires is essential for safety evaluation as the fire can both thermally damage the containment vessel and cause an overpressurization risk. Besides, during the fire, airborne fission product first dissolved in the primary sodium can be aerosolized or, as it can be the case for fission products, released under the gaseous form. The objective of this work is to study the interactions between sodium aerosols and fission products (Iodine, toxic and volatile, being the primary concern). Sodium fires resulting from an SA would produce aerosols consisting of sodium peroxides, hydroxides, carbonates, and bicarbonates. In addition to being toxic (in oxide form), this aerosol will then become radioactive. If such aerosols are leaked into the environment, they can pose a danger to the ecosystem. Depending on the chemical affinity of these chemical forms with fission products, the radiological consequences of an SA leading to containment leak tightness loss will also be affected. This work is split into two phases. Firstly, a method to theoretically understand the kinetics and thermodynamics of the heterogeneous reaction between sodium aerosols and fission products: I2 and HI are proposed. Ab-initio, density functional theory (DFT) calculations using Vienna ab-initio simulation package are carried out to develop an understanding of the surfaces of sodium carbonate (Na2CO3) aerosols and hence provide insight on its affinity towards iodine species. A comprehensive study of I2 and HI adsorption, as well as bicarbonate formation on the calculated lowest energy surface of Na2CO3, was performed which provided adsorption energies and description of the optimized configuration of adsorbate on the stable surface. Secondly, the heterogeneous reaction between (I2)g and Na2CO3 aerosols were investigated experimentally. To study this, (I2)g was generated by heating a permeation tube containing solid I2, and, passing it through a reaction chamber containing Na2CO3 aerosol deposit. The concentration of iodine was then measured at the exit of the reaction chamber. Preliminary observations indicate that there is an effective uptake of (I2)g on Na2CO3 surface, as suggested by our theoretical chemistry calculations. This work is the first step in addressing the gaps in knowledge of in-containment and atmospheric source term which are essential aspects of safety evaluation of SFR SA. In particular, this study is aimed to determine and characterize the radiological and chemical source term. These results will then provide useful insights for the developments of new models to be implemented in integrated computer simulation tool to analyze and evaluate SFR safety designs.

Keywords: iodine adsorption, sodium aerosols, sodium cooled reactor, DFT calculations, sodium carbonate

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143 Porosity Characterization and Its Destruction by Authigenic Minerals: Reservoir Sandstones, Mamuniyat Formation, Murzuq Basin, SW Libya

Authors: Mohamrd Ali Alrabib

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Sandstones samples were selected from cores of seven wells ranging in depth from 5040 to 7181.4 ft. The dominant authigenic cement phase is quartz overgrowth cement (up to 13% by volume) and this is the major mechanism for porosity reduction. Late stage carbonate cements (siderite and dolomite/ferroan dolomite) are present and these minerals infill intergranular porosity and, therefore, further reduce porosity and probably permeability. Authigenic clay minerals are represented by kaolinite, illite, and grain coating clay minerals. Kaolinite occurs as booklet and vermicular forms. Minor amounts of illite were noted in the studied samples, which commonly block pore throats, thereby reducing permeability. Primary porosity of up to 26.5% is present. Secondary porosity (up to 17%) is also present as a result of feldspar dissolution. The high intergranular volume (IGV) of the sandstones indicates that mechanical and chemical compaction played a more important role than cementation of porosity loss.

Keywords: authigenic minerals, porosity types, porosity reduction, mamuniyat sandstone reservoir

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142 Using Electro-Biogrouting to Stabilize of Soft Soil

Authors: Hamed A. Keykha, Hadi Miri

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This paper describes a new method of soil stabilisation, electro-biogrouting (EBM), for improvement of soft soil with low hydraulic conductivity. This method uses an applied voltage gradient across the soil to induce the ions and bacteria cells through the soil matrix, resulting in CaCO3 precipitation and an increase of the soil shear strength in the process. The EBM were used effectively with two injection methods; bacteria injection and products of bacteria injection. The bacteria cells, calcium ions and urea were moved across the soil by electromigration and electro osmotic flow respectively. The products of bacteria (CO3-2) were moved by electromigration. The results showed that the undrained shear strength of the soil increased from 6 to 65 and 70 kPa for first and second injection method respectively. The injection of carbonate solution and calcium could be effectively flowed in the clay soil compare to injection of bacteria cells. The detection of CaCO3 percentage and its corresponding water content across the specimen showed that the increase of undrained shear strength relates to the deposit of calcite crystals between soil particles.

Keywords: Sporosarcina pasteurii, electrophoresis, electromigration, electroosmosis, biocement

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141 Improving Dyeability of Cotton Fabric with Juglans regia L. Natural Dyestuff

Authors: M. Heysem Arslan, Ikilem Gocek, U. Kivanc Sahin

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Natural dyestuff, extracted from Juglans Regia L., a kind of walnut, was used to dye 100% cotton gabardine fabric. The main goal of this study was to enhance dyeing process of cotton fabric with Juglans Regia L. dyestuff in terms of color fastness values by designing and developing a mordant application process. Within the context of this study, different mordants such as tannic acid, gallic acid, ascorbic acid, potassium sodium tartrate tetrahydrate, calcium carbonate, iron (II) sulphate heptahydrate, aluminum potassium sulphate dodecahydrate and their combinations were applied in the mordanting processes. Spectrophotometric analysis, color fastness to washing and color fastness to light tests were carried out on the fabric samples. In this study, it was shown that by using the right combination of mordants with a proper application process, it is possible to improve color fastness values of cotton fabric samples dyed with natural dyestuff.

Keywords: extraction, Juglans Regia L., mordanting process, natural dyestuff

Procedia PDF Downloads 278
140 Low-carbon Footprint Diluents in Solvent Extraction for Lithium-ion Battery Recycling

Authors: Abdoulaye Maihatchi Ahamed, Zubin Arora, Benjamin Swobada, Jean-yves Lansot, Alexandre Chagnes

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Lithium-ion battery (LiB) is the technology of choice in the development of electric vehicles. But there are still many challenges, including the development of positive electrode materials exhibiting high cycle ability, high energy density, and low environmental impact. For this latter, LiBs must be manufactured in a circular approach by developing the appropriate strategies to reuse and recycle them. Presently, the recycling of LiBs is carried out by the pyrometallurgical route, but more and more processes implement or will implement the hydrometallurgical route or a combination of pyrometallurgical and hydrometallurgical operations. After producing the black mass by mineral processing, the hydrometallurgical process consists in leaching the black mass in order to uptake the metals contained in the cathodic material. Then, these metals are extracted selectively by liquid-liquid extraction, solid-liquid extraction, and/or precipitation stages. However, liquid-liquid extraction combined with precipitation/crystallization steps is the most implemented operation in the LiB recycling process to selectively extract copper, aluminum, cobalt, nickel, manganese, and lithium from the leaching solution and precipitate these metals as high-grade sulfate or carbonate salts. Liquid-liquid extraction consists in contacting an organic solvent and an aqueous feed solution containing several metals, including the targeted metal(s) to extract. The organic phase is non-miscible with the aqueous phase. It is composed of an extractant to extract the target metals and a diluent, which is usually aliphatic kerosene produced from the petroleum industry. Sometimes, a phase modifier is added in the formulation of the extraction solvent to avoid the third phase formation. The extraction properties of the diluent do not depend only on the chemical structure of the extractant, but it may also depend on the nature of the diluent. Indeed, the interactions between the diluent can influence more or less the interactions between extractant molecules besides the extractant-diluent interactions. Only a few studies in the literature addressed the influence of the diluent on the extraction properties, while many studies focused on the effect of the extractants. Recently, new low-carbon footprint aliphatic diluents were produced by catalytic dearomatisation and distillation of bio-based oil. This study aims at investigating the influence of the nature of the diluent on the extraction properties of three extractants towards cobalt, nickel, manganese, copper, aluminum, and lithium: Cyanex®272 for nickel-cobalt separation, DEHPA for manganese extraction, and Acorga M5640 for copper extraction. The diluents used in the formulation of the extraction solvents are (i) low-odor aliphatic kerosene produced from the petroleum industry (ELIXORE 180, ELIXORE 230, ELIXORE 205, and ISANE IP 175) and (ii) bio-sourced aliphatic diluents (DEV 2138, DEV 2139, DEV 1763, DEV 2160, DEV 2161 and DEV 2063). After discussing the effect of the diluents on the extraction properties, this conference will address the development of a low carbon footprint process based on the use of the best bio-sourced diluent for the production of high-grade cobalt sulfate, nickel sulfate, manganese sulfate, and lithium carbonate, as well as metal copper.

Keywords: diluent, hydrometallurgy, lithium-ion battery, recycling

Procedia PDF Downloads 61
139 Groundwater Quality Assessment Using Water Quality Index and Geographical Information System Techniques: A Case Study of Busan City, South Korea

Authors: S. Venkatramanan, S. Y. Chung, S. Selvam, E. E. Hussam, G. Gnanachandrasamy

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The quality of groundwater was evaluated by major ions concentration around Busan city, South Korea. The groundwater samples were collected from 40 wells. The order of abundance of major cations concentration in groundwater is Na > Ca > Mg > K, in case of anions are Cl > HCO₃ > SO₄ > NO₃ > F. Based on Piper’s diagram Ca (HCO₃)₂, CaCl₂, and NaCl are the leading groundwater types. While Gibbs diagram suggested that most of groundwater samples belong to rock-weathering zone. Hydrogeochemical condition of groundwater in this city is influenced by evaporation, ion exchange and dissolution of minerals. Water Quality Index (WQI) revealed that 86 % of the samples belong to excellent, 2 % good, 4 % poor to very poor and 8 % unsuitable categories. The results of sodium absorption ratio (SAR), Permeability Index (PI), Residual Sodium Carbonate (RSC) and Magnesium Hazard (MH) exhibit that most of the groundwater samples are suitable for domestic and irrigation purposes.

Keywords: WQI (Water Quality Index), saturation index, groundwater types, ion exchange

Procedia PDF Downloads 232
138 Active Filtration of Phosphorus in Ca-Rich Hydrated Oil Shale Ash Filters: The Effect of Organic Loading and Form of Precipitated Phosphatic Material

Authors: Päärn Paiste, Margit Kõiv, Riho Mõtlep, Kalle Kirsimäe

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For small-scale wastewater management, the treatment wetlands (TWs) as a low cost alternative to conventional treatment facilities, can be used. However, P removal capacity of TW systems is usually problematic. P removal in TWs is mainly dependent on the physico–chemical and hydrological properties of the filter material. Highest P removal efficiency has been shown trough Ca-phosphate precipitation (i.e. active filtration) in Ca-rich alkaline filter materials, e.g. industrial by-products like hydrated oil shale ash (HOSA), metallurgical slags. In this contribution we report preliminary results of a full-scale TW system using HOSA material for P removal for a municipal wastewater at Nõo site, Estonia. The main goals of this ongoing project are to evaluate: a) the long-term P removal efficiency of HOSA using real waste water; b) the effect of high organic loading rate; c) variable P-loading effects on the P removal mechanism (adsorption/direct precipitation); and d) the form and composition of phosphate precipitates. Onsite full-scale experiment with two concurrent filter systems for treatment of municipal wastewater was established in September 2013. System’s pretreatment steps include septic tank (2 m2) and vertical down-flow LECA filters (3 m2 each), followed by horizontal subsurface HOSA filters (effective volume 8 m3 each). Overall organic and hydraulic loading rates of both systems are the same. However, the first system is operated in a stable hydraulic loading regime and the second in variable loading regime that imitates the wastewater production in an average household. Piezometers for water and perforated sample containers for filter material sampling were incorporated inside the filter beds to allow for continuous in-situ monitoring. During the 18 months of operation the median removal efficiency (inflow to outflow) of both systems were over 99% for TP, 93% for COD and 57% for TN. However, we observed significant differences in the samples collected in different points inside the filter systems. In both systems, we observed development of preferred flow paths and zones with high and low loadings. The filters show formation and a gradual advance of a “dead” zone along the flow path (zone with saturated filter material characterized by ineffective removal rates), which develops more rapidly in the system working under variable loading regime. The formation of the “dead” zone is accompanied by the growth of organic substances on the filter material particles that evidently inhibit the P removal. Phase analysis of used filter materials using X-ray diffraction method reveals formation of minor amounts of amorphous Ca-phosphate precipitates. This finding is supported by ATR-FTIR and SEM-EDS measurements, which also reveal Ca-phosphate and authigenic carbonate precipitation. Our first experimental results demonstrate that organic pollution and loading regime significantly affect the performance of hydrated ash filters. The material analyses also show that P is incorporated into a carbonate substituted hydroxyapatite phase.

Keywords: active filtration, apatite, hydrated oil shale ash, organic pollution, phosphorus

Procedia PDF Downloads 251
137 Chemical and Electrochemical Syntheses of Two Organic Components of Ginger

Authors: Adrienn Kiss, Karoly Zauer, Gyorgy Keglevich, Rita Molnarne Bernath

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Ginger (Zingiber officinale) is a perennial plant from Southeast Asia, widely used as a spice, herb, and medicine for many illnesses since its beneficial health effects were observed thousands of years ago. Among the compounds found in ginger, zingerone [4-hydroxy-3- methoxyphenyl-2-butanone] deserves special attention: it has an anti-inflammatory and antispasmodic effect, it can be used in case of diarrheal disease, helps to prevent the formation of blood clots, has antimicrobial properties, and can also play a role in preventing the Alzheimer's disease. Ferulic acid [(E)-3-(4-hydroxy-3-methoxyphenyl)-prop-2-enoic acid] is another cinnamic acid derivative in ginger, which has promising properties. Like many phenolic compounds, ferulic acid is also an antioxidant. Based on the results of animal experiments, it is assumed to have a direct antitumoral effect in lung and liver cancer. It also deactivates free radicals that can damage the cell membrane and the DNA and helps to protect the skin against UV radiation. The aim of this work was to synthesize these two compounds by new methods. A few of the reactions were based on the hydrogenation of dehydrozingerone [4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one] to zingerone. Dehydrozingerone can be synthesized by a relatively simple method from acetone and vanillin with good yield (80%, melting point: 41 °C). Hydrogenation can be carried out chemically, for example by the reaction of zinc and acetic acid, or Grignard magnesium and ethyl alcohol. Another way to complete the reduction is the electrochemical pathway. The electrolysis of dehydrozingerone without diaphragm in aqueous media was attempted to produce ferulic acid in the presence of sodium carbonate and potassium iodide using platinum electrodes. The electrolysis of dehydrozingerone in the presence of potassium carbonate and acetic acid to prepare zingerone was carried out similarly. Ferulic acid was expected to be converted to dihydroferulic acid [3-(4-Hydroxy-3-methoxyphenyl)propanoic acid] in potassium hydroxide solution using iron electrodes, separating the anode and cathode space with a Soxhlet paper sheath impregnated with saturated magnesium chloride solution. For this reaction, ferulic acid was synthesized from vanillin and malonic acid in the presence of pyridine and piperidine (yield: 88.7%, melting point: 173°C). Unfortunately, in many cases, the expected transformations did not happen or took place in low conversions, although gas evolution occurred. Thus, a deeper understanding of these experiments and optimization are needed. Since both compounds are found in different plants, they can also be obtained by alkaline extraction or steam distillation from distinct plant parts (ferulic acid from ground bamboo shoots, zingerone from grated ginger root). The products of these reactions are rich in several other organic compounds as well; therefore, their separation must be solved to get the desired pure material. The products of the reactions described above were characterized by infrared spectral data and melting points. The use of these two simple methods may be informative for the formation of the products. In the future, we would like to study the ferulic acid and zingerone content of other plants and extract them efficiently. The optimization of electrochemical reactions and the use of other test methods are also among our plans.

Keywords: ferulic acid, ginger, synthesis, zingerone

Procedia PDF Downloads 151
136 The Impact of Karst Structures on the Urban Environment in Semi-Arid Area

Authors: Benhammadi Hocine, Chaffai Hicham

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Urban development is often dependent on adequate land for expansion, except that sometimes these areas have vulnerability. This is the case of karst regions characterized by carbonate geological formations marked by the presence of cavities and cracks. The impact of climate variability in Cheria area marked by a growing shortage of rainfall, the impact resulted in the development of the vulnerability of these structures. This vulnerability has led to the appearance of collapse phenomena as well in both agricultural and urban areas. Two phenomena have emerged to explain the collapses, the first is assigned a filling process in the cavities, and the second is due to a weakening of the resistance that collapses limestone slab shear phenomenon. In urban areas, the weight of the buildings has increased the load on the limestone slab and accelerated the collapse. The analysis of the environmental process is in the context of our modest work, after which we indicate the appropriate methods for management policy of urban expansion. This management more preventive (upstream), much less expensive than remedial solutions (downstream) needed after the event and sometimes ineffective.

Keywords: Cheria, urban, climate variability, vulnerability karst collapse, extension, management

Procedia PDF Downloads 439
135 Modeling the Effect of Scale Deposition on Heat Transfer in Desalination Multi-Effect Distillation Evaporators

Authors: K. Bourouni, M. Chacha, T. Jaber, A. Tchantchane

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In Multi-Effect Distillation (MED) desalination evaporators, the scale deposit outside the tubes presents a barrier to heat transfers reducing the global heat transfer coefficient and causing a decrease in water production; hence a loss of efficiency and an increase in operating and maintenance costs. Scale removal (by acid cleaning) is the main maintenance operation and constitutes the major reason for periodic plant shutdowns. A better understanding of scale deposition mechanisms will lead to an accurate determination of the variation of scale thickness around the tubes and an improved accuracy of the overall heat transfer coefficient calculation. In this paper, a coupled heat transfer-calcium carbonate scale deposition model on a horizontal tube bundle is presented. The developed tool is used to determine precisely the heat transfer area leading to a significant cost reduction for a given water production capacity. Simulations are carried to investigate the influence of different parameters such as water salinity, temperature, etc. on the heat transfer.

Keywords: multi-effect-evaporator, scale deposition, water desalination, heat transfer coefficient

Procedia PDF Downloads 121
134 Soil Rehabilitation Using Modified Diatomite: Assessing Chemical Properties, Enzymatic Reactions and Heavy Metal Immobilization

Authors: Maryam Samani. Ahmad Golchin. Hosseinali Alikkani. Ahmad Baybordi

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Natural diatomite was modified by grinding and acid treatment to increase surface area and to decrease the impurities. Surface area and pore volume of the modified diatomite were 67.45 m² g-1 and 0.105 cm³ g-¹ respectively, and used to immobilize Pb, Zn and Cu in an urban soil. The modified diatomite was added to soil samples at the rates of 2.5, 5, 7.5 and 10% and the samples incubated for 60 days. The addition of modified diatomite increased SSA of the soil. The SSAs of soils with 2.5, 5.0, 7.5 and 10% modified diatomite were 20.82, 22.02, 23.21 and 24.41 m² g-¹ respectively. Increasing the SSAs of the soils by the application of modified diatomite reduced the DTPA extractable concentrations of heavy metals compared with un-amendment control. The concentration of Pb, Zn and Cu were reduced by 91.1%, 82% and 91.1% respectively. Modified diatomite reduced the concentration of Exchangeable and Carbonate bounded species of Pb, Zn and Cu, compared with the control. Also significantly increased the concentration of Fe Mn- OX (Fe-Mn Oxides) and OM (Organic Matter) bound and Res (Residual) fraction. Modified diatomite increased the urease, dehydrogenase and alkaline phosphatase activity by 52%, 57% and 56.6% respectively.

Keywords: modified diatomite, chemical specifications, specific surface area, enzyme activity, immobilization, heavy metal, soil remediation

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133 Gas While Drilling (GWD) Classification in Betara Complex; An Effective Approachment to Optimize Future Candidate of Gumai Reservoir

Authors: I. Gusti Agung Aditya Surya Wibawa, Andri Syafriya, Beiruny Syam

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Gumai Formation which acts as regional seal for Talang Akar Formation becomes one of the most prolific reservoir in South Sumatra Basin and the primary exploration target in this area. Marine conditions were eventually established during the continuation of transgression sequence leads an open marine facies deposition in Early Miocene. Marine clastic deposits where calcareous shales, claystone and siltstones interbedded with fine-grained calcareous and glauconitic sandstones are the domination of lithology which targeted as the hydrocarbon reservoir. All this time, the main objective of PetroChina’s exploration and production in Betara area is only from Lower Talang Akar Formation. Successful testing in some exploration wells which flowed gas & condensate from Gumai Formation, opened the opportunity to optimize new reservoir objective in Betara area. Limitation of conventional wireline logs data in Gumai interval is generating technical challenge in term of geological approach. A utilization of Gas While Drilling indicator initiated with the objective to determine the next Gumai reservoir candidate which capable to increase Jabung hydrocarbon discoveries. This paper describes how Gas While Drilling indicator is processed to generate potential and non-potential zone by cut-off analysis. Validation which performed by correlation and comparison with well logs, Drill Stem Test (DST), and Reservoir Performance Monitor (RPM) data succeed to observe Gumai reservoir in Betara Complex. After we integrated all of data, we are able to generate a Betara Complex potential map and overlaid with reservoir characterization distribution as a part of risk assessment in term of potential zone presence. Mud log utilization and geophysical data information successfully covered the geological challenges in this study.

Keywords: Gumai, gas while drilling, classification, reservoir, potential

Procedia PDF Downloads 329
132 Investigation of Different Electrolyte Salts Effect on ZnO/MWCNT Anode Capacity in LIBs

Authors: Şeyma Dombaycıoğlu, Hilal Köse, Ali Osman Aydın, Hatem Akbulut

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Rechargeable lithium ion batteries (LIBs) have been considered as one of the most attractive energy storage choices for laptop computers, electric vehicles and cellular phones owing to their high energy and power density. Compared with conventional carbonaceous materials, transition metal oxides (TMOs) have attracted great interests and stand out among versatile novel anode materials due to their high theoretical specific capacity, wide availability and good safety performance. ZnO, as an anode material for LIBs, has a high theoretical capacity of 978 mAh g-1, much higher than that of the conventional graphite anode (∼370 mAhg-1). However, several major problems such as poor cycleability, resulting from the severe volume expansion and contraction during the alloying-dealloying cycles with Li+ ions and the associated charge transfer process, the pulverization and the agglomeration of individual particles, which drastically reduces the total entrance/exit sites available for Li+ ions still hinder the practical use of ZnO powders as an anode material for LIBs. Therefore, a great deal of effort has been devoted to overcome these problems, and many methods have been developed. In most of these methods, it is claimed that carbon nanotubes (CNTs) will radically improve the performance of batteries, because their unique structure may especially enhance the kinetic properties of the electrodes and result in an extremely high specific charge compared with the theoretical limits of graphitic carbon. Due to outstanding properties of CNTs, MWCNT buckypaper substrate is considered a buffer material to prevent mechanical disintegration of anode material during the battery applications. As the bridge connecting the positive and negative electrodes, the electrolyte plays a critical role affecting the overall electrochemical performance of the cell including rate, capacity, durability and safety. Commercial electrolytes for Li-ion batteries normally consist of certain lithium salts and mixed organic linear and cyclic carbonate solvents. Most commonly, LiPF6 is attributed to its remarkable features including high solubility, good ionic conductivity, high dissociation constant and satisfactory electrochemical stability for commercial fabrication. Besides LiPF6, LiBF4 is well known as a conducting salt for LIBs. LiBF4 shows a better temperature stability in organic carbonate based solutions and less moisture sensitivity compared to LiPF6. In this work, free standing zinc oxide (ZnO) and multiwalled carbon nanotube (MWCNT) nanocomposite materials were prepared by a sol gel technique giving a high capacity anode material for lithium ion batteries. Electrolyte solutions (including 1 m Li+ ion) were prepared with different Li salts in glove box. For this purpose, LiPF6 and LiBF4 salts and also mixed of these salts were solved in EC:DMC solvents (1:1, w/w). CR2016 cells were assembled by using these prepared electrolyte solutions, the ZnO/MWCNT buckypaper nanocomposites as working electrodes, metallic lithium as cathode and polypropylene (PP) as separator. For investigating the effect of different Li salts on the electrochemical performance of ZnO/MWCNT nanocomposite anode material electrochemical tests were performed at room temperature.

Keywords: anode, electrolyte, Li-ion battery, ZnO/MWCNT

Procedia PDF Downloads 209
131 Alcoxysilanes Production from Silica and Dimethylcarbonate Promoted by Alkali Bases: A DFT Investigation of the Reaction Mechanism

Authors: Valeria Butera, Norihisa Fukaya, Jun-Chu Choi, Kazuhiko Sato, Yoong-Kee Choe

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Several silicon dioxide sources can react with dimethyl carbonate (DMC) in presence of alkali bases catalysts to ultimately produce tetramethoxysilane (TMOS). Experimental findings suggested that the reaction proceeds through several steps in which the first molecule of DMC is converted to dimethylsilyloxide (DMOS) and CO₂. Following the same mechanistic steps, a second molecule of DMC reacts with the DMOS to afford the final product TMOS. Using a cluster model approach, a quantum-mechanical investigation of the first part of the reaction leading to DMOS formation is reported with a twofold purpose: (1) verify the viability of the reaction mechanism proposed on the basis of experimental evidences .(2) compare the behaviors of three different alkali hydroxides MOH, where M=Li, K and Cs, to determine whether diverse ionic radius and charge density can be considered responsible for the observed differences in reactivity. Our findings confirm the observed experimental trend and furnish important information about the effective role of the alkali hydroxides giving an explanation of the different catalytic activity of the three metal cations.

Keywords: Alcoxysilanes production, cluster model approach, DFT, DMC conversion

Procedia PDF Downloads 248