Search results for: cesium
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 32

Search results for: cesium

32 Cesium 137 Leaching from Soils of Territories, Polluted by Radionuclides

Authors: S. V. Vasilenkov, O. N. Demina

Abstract:

Chernobyl NPP accident is the biggest in history of nuclear energetic. Bryansk region of Russia was exposed by the most intensive radiation pollution. For that, we made some researches in order to find the methods of soil rehabilitation on territories, polluted by radionuclides with the means of Cesium 137 leaching by watering. For experiments we took the soil from the upper more polluted 10 cm layer of different species. Cesium 137 leaching was made by different methods in washing columns. Washout of Cesium was made by periodical cycles in terms of 4-6 days. In experiments with easy argillaceous soil with start specific radioactivity 4158 bk/kg through 17 cycles the effective reducing was achieved and contained 1512 bk/kg. Besides, results of researches showed, that in the first 6-10 cycles we can see reducing of washing rate but after application of intensificators: ultrasound water processing, aerification, application of fertilizers (KCl), lime, freezing, we can see increasing of Cesium 137 leaching. The experimental investigations in washout of Cesium (Cs) – 137 from the soil were carried out in the field and laboratorial conditions during its freezing and melting. The experiments showed, that washout of Cesium (Cs) – 137 from the soil is rather high after freezing, than non-frozen soil is. And it conforms to washout of Cesium, made under the influence of the intensificaters. This fact allows to recommend chip and easy to construct technically arrangement for regulation of the snow-melt runoff for rehabilitation of the radioactive impoundment.

Keywords: pollution, radiation, Cesium 137 leaching, agriculture

Procedia PDF Downloads 245
31 Inventive Synthesis and Characterization of a Cesium Molybdate Compound: CsBi(MoO4)2

Authors: Gülşah Çelik Gül, Figen Kurtuluş

Abstract:

Cesium molybdates with general formula CsMIII(MoO4)2, where MIII = Bi, Dy, Pr, Er, exhibit rich polymorphism, and crystallize in a layered structure. These properties cause intensive studies on cesium molybdates. CsBi(MoO4)2 was synthesized by microwave method by using cerium sulphate, bismuth oxide and molybdenum (VI) oxide in an appropriate molar ratio. Characterizations were done by x-ray diffraction (XRD), fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy/energy dispersive analyze (SEM/EDS), thermo gravimetric/differantial thermal analysis (TG/DTA).

Keywords: cesium bismuth dimolybdate, microwave synthesis, powder x-ray diffraction, rare earth dimolybdates

Procedia PDF Downloads 481
30 Growth of Nitella in Response to Cesium Exposure: Implication for Phytoremediation

Authors: Harun Rashid, Keerthi S. S. Atapaththu, Takashi Asaeda

Abstract:

Cesium (Cs) induced growth and stress response of Nitella were studied after exposure to four concentration of the metal; i.e. 0 (control), 0.001, 0.01, and 0.1 ppm Cs in growth media. Each treatment with three replicates were randomly allocated to 12 glass beakers in a complete randomize design and the experiment was continued for 30 days. At the end of the experiment, shoot length, cesium content, total chlorophyll, and plant stress response were compared. Anti-oxidant enzyme activities (peroxidase, catalase, and ascorbic peroxidase) and the concentration of H2O2 were measured to check plant stress. The longest shoot was found in control treatment (0 ppm Cs) and the shoot length of plants exposed to 0.001 ppm was statistically similar to that of control. Concentration of cesium in plants grown at 0.001, 0.01, and 0.1 ppm were significantly higher than those in control treatments. The antioxidant enzymes activities of plants exposed to cesium were significantly higher than those grown without any Cs (control). An elevated level of H2O2 concentration was also observed in former groups of plants. Further, the reduction in chlorophyll concentration and chlorophyll fluorescence in response to cesium exposure indicated the chronically damaged photosynthetic efficiency in cesium stressed Nitella.

Keywords: antioxidant enzymes, cesium, growth, Nitella, oxidative stress

Procedia PDF Downloads 385
29 Solvent Extraction of Rb and Cs from Jarosite Slag Using t-BAMBP

Authors: Zhang Haiyan, Su Zujun, Zhao Fengqi

Abstract:

Lepidolite after extraction of Lithium by sulfate produced many jarosite slag which contains a lot of Rb and Cs.The separation and recovery of Rubidium(Rb) and Cesium(Cs) can make full of use of Lithium mica. XRF analysis showed that the slag mainly including K Rb Cs Al and etc. Fractional solvent extraction tests were carried out; the results show that using20% t-BAMBP plus 80% sulfonated kerosene, the separation of Rb and Cs can be achieved by adjusting the alkalinity. Extraction is the order of Cs Rb, ratio of Cs to Rb and ratio of Rb to K can reach above 1500 and 2500 respectively.

Keywords: cesium, jarosite slag, rubidium, solvent extraction, t-BAMBP

Procedia PDF Downloads 538
28 Fabrication of Cesium Iodide Columns by Rapid Heating Method

Authors: Chien-Wan Hun, Shao-Fu Chang, Chien-Chon Chen, Ker-Jer Huang

Abstract:

This study presents how to use a high-efficiency process for producing cesium iodide (CsI) crystal columns by rapid heating method. In the past, the heating rate of the resistance wire heating furnace was relatively slow and excessive iodine and CsI vapors were therefore generated during heating. Because much iodine and CsI vapors are produced during heating process, the composition of CsI crystal columns is not correct. In order to enhance the heating rate, making CsI material in the heating process can quickly reach the melting point temperature. This study replaced the traditional type of external resistance heating furnace with halogen-type quartz heater, and then, CsI material can quickly reach the melting point. Eventually, CsI melt can solidify in the anodic aluminum template forming CsI crystal columns.

Keywords: cesium iodide, high efficiency, vapor, rapid heating, crystal column

Procedia PDF Downloads 326
27 The TiO2 Refraction Film for CsI Scintillator

Authors: C. C. Chen, C. W. Hun, C. J. Wang, C. Y. Chen, J. S. Lin, K. J. Huang

Abstract:

Cesium iodide (CsI) melt was injected into anodic aluminum oxide (AAO) template and was solidified to CsI column. The controllable AAO channel size (10~500 nm) can makes CsI column size from 10 to500 nm in diameter. In order to have a shorter light irradiate from each singe CsI column top to bottom the AAO template was coated a TiO2 nano-film. The TiO2 film acts a refraction film and makes X-ray has a shorter irradiation path in the CsI crystal making a stronger the photo-electron signal. When the incidence light irradiate from air (R=1.0) to CsI’s first surface (R=1.84) the first refraction happen, the first refraction continue into TiO2 film (R=2.88) and produces the low angle of the second refraction. Then the second refraction continue into AAO wall (R=1.78) and produces the third refraction after refractions between CsI and AAO wall (R=1.78) produce the fourth refraction. The incidence light after through CsI and TiO2 film refractions arrive to the CsI second surface. Therefore, the TiO2 film can has shorter refraction path of incidence light and increase the photo-electron conversion efficiency.

Keywords: cesium iodide, anodic aluminum oxide (AAO), TiO2, refraction, X-ray

Procedia PDF Downloads 387
26 Quantum Modelling of AgHMoO4, CsHMoO4 and AgCsMoO4 Chemistry in the Field of Nuclear Power Plant Safety

Authors: Mohamad Saab, Sidi Souvi

Abstract:

In a major nuclear accident, the released fission products (FPs) and the structural materials are likely to influence the transport of iodine in the reactor coolant system (RCS) of a pressurized water reactor (PWR). So far, the thermodynamic data on cesium and silver species used to estimate the magnitude of FP release show some discrepancies, data are scarce and not reliable. For this reason, it is crucial to review the thermodynamic values related to cesium and silver materials. To this end, we have used state-of-the-art quantum chemical methods to compute the formation enthalpies and entropies of AgHMoO₄, CsHMoO₄, and AgCsMoO₄ in the gas phase. Different quantum chemical methods have been investigated (DFT and CCSD(T)) in order to predict the geometrical parameters and the energetics including the correlation energy. The geometries were optimized with TPSSh-5%HF method, followed by a single point calculation of the total electronic energies using the CCSD(T) wave function method. We thus propose with a final uncertainty of about 2 kJmol⁻¹ standard enthalpies of formation of AgHMoO₄, CsHMoO₄, and AgCsMoO₄.

Keywords: nuclear accident, ASTEC code, thermochemical database, quantum chemical methods

Procedia PDF Downloads 152
25 A Study of Erosion and Sedimentation Rates Based on Two Different Seasons Using CS-137 As A Tracer in the Sembrong Catchment, Malaysia

Authors: Jalal Sharib@Sarip, Dainee nor Fardzila Ahmad Tugi, Mohd Tarmizi Ishak, Mohd Izwan Abdul Adziz

Abstract:

This research paper aims to determine the rate of soil erosion and sedimentation by using Cesium-137,137Cs as a medium-term tracer in the Sembrong catchment, Malaysia, over two different study seasons. The results of the analysis show that rates of soil erosion and sedimentation for both seasons were variable. This can be clearly seen where the dry season only gives the value of the rate of soil erosion. Meanwhile, the wet season has given both soil erosion and sedimentation rate values. The dry season had rates of soil erosion between 5.09 t/ha/y to 51.03 t/ha/y. The wet season had soil erosion and sedimentation rates between 8.02 t/ha/y to 39.78 t/ha/y and -4.81 t/ha/y to - 50.81 t/ha/y, each, respectively. rubber and oil palm plantations referring to Station 17 and station 4/6, located near Semberong Lake and Sembrong River, had the highest rates of soil erosion and sedimentation at 51.03 t/ha/y and -50.81 t/ha/y, respectively. Various factors must also be taken into account, such as soil types, the total volume of rainfall received for both seasons, as well as differences in land use at the study stations. In conclusion, 137Cs as a medium-term tracer was successfully used to determine rates of soil erosion and sedimentation in two different seasons for the Sembrong catchment area. The data on soil erosion and sedimentation rates for this study will be very useful for present, and future land and water management in the Sembrong catchment area and may be compared with other similar catchments in Malaysia.

Keywords: soil erosion, sedimentation, cesium-137, catchment management

Procedia PDF Downloads 71
24 An Approach for Detection Efficiency Determination of High Purity Germanium Detector Using Cesium-137

Authors: Abdulsalam M. Alhawsawi

Abstract:

Estimation of a radiation detector's efficiency plays a significant role in calculating the activity of radioactive samples. Detector efficiency is measured using sources that emit a variety of energies from low to high-energy photons along the energy spectrum. Some photon energies are hard to find in lab settings either because check sources are hard to obtain or the sources have short half-lives. This work aims to develop a method to determine the efficiency of a High Purity Germanium Detector (HPGe) based on the 662 keV gamma ray photon emitted from Cs-137. Cesium-137 is readily available in most labs with radiation detection and health physics applications and has a long half-life of ~30 years. Several photon efficiencies were calculated using the MCNP5 simulation code. The simulated efficiency of the 662 keV photon was used as a base to calculate other photon efficiencies in a point source and a Marinelli Beaker form. In the Marinelli Beaker filled with water case, the efficiency of the 59 keV low energy photons from Am-241 was estimated with a 9% error compared to the MCNP5 simulated efficiency. The 1.17 and 1.33 MeV high energy photons emitted by Co-60 had errors of 4% and 5%, respectively. The estimated errors are considered acceptable in calculating the activity of unknown samples as they fall within the 95% confidence level.

Keywords: MCNP5, MonteCarlo simulations, efficiency calculation, absolute efficiency, activity estimation, Cs-137

Procedia PDF Downloads 81
23 Regeneration of Cesium-Exhausted Activated Carbons by Microwave Irradiation

Authors: Pietro P. Falciglia, Erica Gagliano, Vincenza Brancato, Alfio Catalfo, Guglielmo Finocchiaro, Guido De Guidi, Stefano Romano, Paolo Roccaro, Federico G. A. Vagliasindi

Abstract:

Cesium-137 (¹³⁷Cs) is a major radionuclide in spent nuclear fuel processing, and it represents the most important cause of contamination related to nuclear accidents. Cesium-137 has long-term radiological effects representing a major concern for the human health. Several physico-chemical methods have been proposed for ¹³⁷Cs removal from impacted water: ion-exchange, adsorption, chemical precipitation, membrane process, coagulation, and electrochemical. However, these methods can be limited by ionic selectivity and efficiency, or they present very restricted full-scale application due to equipment and chemical high costs. On the other hand, adsorption is considered a more cost-effective solution, and activated carbons (ACs) are known as a low-cost and effective adsorbent for a wide range of pollutants among which radionuclides. However, adsorption of Cs onto ACs has been investigated in very few and not exhaustive studies. In addition, exhausted activated carbons are generally discarded in landfill, that is not an eco-friendly and economic solution. Consequently, the regeneration of exhausted ACs must be considered a preferable choice. Several alternatives, including conventional thermal-, solvent-, biological- and electrochemical-regeneration, are available but are affected by several economic or environmental concerns. Microwave (MW) irradiation has been widely used in industrial and environmental applications and it has attracted many attentions to regenerating activated carbons. The growing interest in MW irradiation is based on the passive ability of the irradiated medium to convert a low power irradiation energy into a rapid and large temperature increase if the media presents good dielectric features. ACs are excellent MW-absorbers, with a high mechanical strength and a good resistance towards heating process. This work investigates the feasibility of MW irradiation for the regeneration of Cs-exhausted ACs. Adsorption batch experiments were carried out using commercially available granular activated carbon (GAC), then Cs-saturated AC samples were treated using a controllable bench-scale 2.45-GHz MW oven and investigating different adsorption-regeneration cycles. The regeneration efficiency (RE), weight loss percentage, and textural properties of the AC samples during the adsorption-regeneration cycles were also assessed. Main results demonstrated a relatively low adsorption capacity for Cs, although the feasibility of ACs was strictly linked to their dielectric nature, which allows a very efficient thermal regeneration by MW irradiation. The weight loss percentage was found less than 2%, and an increase in RE after three cycles was also observed. Furthermore, MW regeneration preserved the pore structure of the regenerated ACs. For a deeper exploration of the full-scale applicability of MW regeneration, further investigations on more adsorption-regeneration cycles or using fixed-bed columns are required.

Keywords: adsorption mechanisms, cesium, granular activated carbons, microwave regeneration

Procedia PDF Downloads 106
22 Sorption of Cesium Ions from Aqueous Solutions by Magnetic Multi-Walled Carbon Nanotubes Functionalized with Zinc Hexacyanoferrate

Authors: H. H. Lee, D. Y. Kim, S. W. Lee, J. H. Kim, J. H. Kim, W. Z. Oh, S. J. Choi

Abstract:

In recent years, carbon nanotubes (CNTs) have been widely employed as a sorbent for the removal of various metal ions from water due to their unique properties such as large surface area, light mass density, high porous and hollow structure, and strong interaction between the pollutant molecules and CNTs. To apply CNTs to the sorption of Cs+ from aqueous solutions, they must first be functionalized to increase their hydrophilicity and therefore, enhance their applicability to the sorption of polar and relatively low-molecular-weight species. The objective of this study is to investigate the preparation of magnetically separable multi-walled carbon nanotubes (MWCNTs-m) as a sorbents for the removal of Cs+ from aqueous solutions. The MWCNTs-m was prepared using pristine MWCNTs and iron precursor Fe(acac)3. For the selective removal of Cs+ from aqueous solutions, the MWCNTs-m was functionalized with zinc hexacyanoferrate (MWCNTs-m-ZnFC). The physicochemical properties of the synthesized sorbents were characterized with various techniques, including transmission electron microscopy (TEM), specific surface area analysis, Fourier transform-infrared (FT-IR) spectroscopy, and vibrating-sample magnetometer. The MWCNTs-m-ZnFC was found to be easily separated from aqueous solutions by using magnetic field. The MWCNTs-m-ZnFC exhibited a high capacity for sorbing Cs+ from aqueous solutions because of their strong affinity for Cs+ and specific surface area. The sorption ability of the MWCNTs-m-ZnFC for Cs+ was maintained even in the presence of co-existing ions (Na+). Considering these results, the CNT-m-ZnFCs have great potential for use as an effective sorbent for the selective removal of radioactive Cs+ ions from aqueous solutions.

Keywords: multi-walled carbon nanotubes, magnetic materials, cesium, zinc hexacyanoferrate, sorption

Procedia PDF Downloads 289
21 Honey Contamination in the Republic of Kazakhstan

Authors: B. Sadepovich Maikanov, Z. Shabanbayevich Adilbekov, R. Husainovna Mustafina, L. Tyulegenovna Auteleyeva

Abstract:

This study involves detailed information about contaminants of honey in the Republic of Kazakhstan. The requirements of the technical regulation ‘Requirements to safety of honey and bee products’ and GOST 19792-2001 were taken into account in this research. Contamination of honey by antibiotics wqs determined by the IEA (immune-enzyme analysis), Ridder analyzer and Tecna produced test systems. Voltammetry (TaLab device) was used to define contamination by salts of heavy metals and gamma-beta spectrometry, ‘Progress BG’ system, with preliminary ashing of the sample of honey was used to define radioactive contamination. This article pointed out that residues of chloramphenicol were detected in 24% of investigated products, in 22% of them –streptomycin, in 7.3% - sulfanilamide, in 2.4% - tylosin, and in 12% - combined contamination was noted. Geographically, the greatest degree of contamination of honey with antibiotics occurs in the Northern Kazakhstan – 54.4%, and Southern Kazakhstan - 50%, and the lowest in Central and Eastern Kazakhstan with 30% and 25%, respectively. Generally, pollution by heavy metals is within acceptable limits, but the contamination from lead is highest in the Akmola region. The level of radioactive cesium and strontium is also within acceptable concentrations. The highest radioactivity in terms of cesium was observed in the East Kazakhstan region - 49.00±10 Bq/kg, in Akmola, North Kazakhstan and Almaty - 12.00±5, 11.05±3 and 19.0±8 Bq/kg, respectively, while the norm is 100 Bq/kg. In terms of strontium, the radioactivity in the East Kazakhstan region is 25.03±15 Bq/kg, while in Akmola, North Kazakhstan and Almaty regions it is 12.00±3, 10.2±4 and 1.0±2 Bq/kg, respectively, with the norm of 80 Bq/kg. This accumulation is mainly associated with the environmental degradation, feeding and treating of bees. Moreover, in the process of collecting nectar, external substances can penetrate honey. Overall, this research determines factors and reasons of honey contamination.

Keywords: antibiotics, contamination of honey, honey, radionuclides

Procedia PDF Downloads 181
20 Formation of Volatile Iodine from Cesium Iodide Aerosols: A DFT Study

Authors: Houssam Hijazi, Laurent Cantrel, Jean-François Paul

Abstract:

Periodic DFT calculations were performed to study the chemistry of CsI particles and the possible release of volatile iodine from CsI surfaces for nuclear safety interest. The results show that water adsorbs at low temperature associatively on the (011) surface of CsI, while water desorbs at higher temperatures. On the other hand, removing iodine species from the surface requires oxidizing the surface one time for each removed iodide atom. The activation energy of removing I2 from the surface in the presence of two OH is 1,2 eV.

Keywords: aerosols, CSI, reactivity, DFT, water adsorption

Procedia PDF Downloads 296
19 Laser Cooling of Internal Degrees of Freedom of Molecules: Cesium Case

Authors: R. Horchani

Abstract:

Optical pumping technique with laser fields combined with photo-association of ultra-cold atoms leads to control on demand the vibrational and/or the rotational population of molecules. Here, we review the basic concepts and main steps should be followed, including the excitation schemes and detection techniques we use to achieve the ro-vibrational cooling of Cs2 molecules. We also discuss the extension of this technique to other molecules. In addition, we present a theoretical model used to support the experiment. These simulations can be widely used for the preparation of various experiments since they allow the optimization of several important experimental parameters.

Keywords: cold molecule, photo-association, optical pumping, vibrational and rotational cooling

Procedia PDF Downloads 258
18 Chemical Treatment of Wastewater through Biosorption for the Removal of Toxic Metals

Authors: Shafiq Alam, Manjunathan Ulaganathan

Abstract:

Water/wastewater often contains heavy/toxic metals, such as lead, copper, zinc and arsenic as well as harmful elements, such as antimony, selenium and fluoride. It may also contains radioactive elements, such as cesium and strontium. If they are not removed from water/wastewater then the environment and human health can be negatively impacted. Extensive research has been carried out to remove such harmful metals/elements from water/wastewater through biosorption using biomaterials (bioadsorbents). This presentation will give an overview of the research on preparation of bioadsorbents from biomass wastes and their use for the removal of harmful metals/elements from aqueous media.

Keywords: biosorption, environmental, toxic metals, wastewater

Procedia PDF Downloads 237
17 Calculated Structural and Electronic Properties of Mg and Bi

Authors: G. Patricia Abdel Rahim, Jairo Arbey Rodriguez M, María Guadalupe Moreno Armenta

Abstract:

The present study shows the structural, electronic and magnetic properties of magnesium (Mg) and bismuth (Bi) in a supercell (1X1X5). For both materials were studied in five crystalline structures: rock salt (NaCl), cesium chloride (CsCl), zinc-blende (ZB), wurtzite (WZ), and nickel arsenide (NiAs), using the Density Functional Theory (DFT), the Generalized Gradient Approximation (GGA), and the Full Potential Linear Augmented Plane Wave (FP-LAPW) method. By means of fitting the Murnaghan's state equation we determine the lattice constant, the bulk modulus and it's derived with the pressure. Also we calculated the density of states (DOS) and the band structure.

Keywords: bismuth, magnesium, pseudo-potential, supercell

Procedia PDF Downloads 778
16 Separation of CO2 Using MFI-Alumina Nanocomposite Hollow Fiber Ion-Exchanged with Alkali Metal Cation

Authors: A. Alshebani, Y. Swesi, S. Mrayed, F. Altaher, I. Musbah

Abstract:

Cs-type nanocomposite zeolite membrane was successfully synthesized on an alumina ceramic hollow fibre with a mean outer diameter of 1.7 mm; cesium cationic exchange test was carried out inside test module with mean wall thickness of 230 μm and an average crossing pore size smaller than 0.2 μm. Separation factor of n-butane/H2 obtained indicate that a relatively high quality closed to 20. Maxwell-Stefan modeling provides an equivalent thickness lower than 1 µm. To compare the difference an application to CO2/N2 separation has been achieved, reaching separation factors close to (4,18) before and after cation exchange on H-zeolite membrane formed within the pores of a ceramic alumina substrate.

Keywords: MFI membrane, nanocomposite, ceramic hollow fibre, CO2, ion-exchange

Procedia PDF Downloads 251
15 Separation of CO2 Using MFI-Alumina Nanocomposite Hollow Fibre Ion-Exchanged with Alkali Metal Cation

Authors: A. Alshebani, Y. Swesi, S. Mrayed, F. Altaher, I. Musbah

Abstract:

Cs-type nanocomposite zeolite membrane was successfully synthesized on a alumina ceramic hollow fibre with a mean outer diameter of 1.7 mm, cesium cationic exchange test was carried out inside test module with mean wall thickness of 230 μm and an average crossing pore size smaller than 0.2 μm. Separation factor of n-butane/H2 obtained indicate that a relatively high quality closed to 20. Maxwell-Stefan modeling provides an equivalent thickness lower than 1 µm. To compare the difference an application to CO2/N2 separation has been achieved, reaching separation factors close to (4,18) before and after cation exchange on H-zeolite membrane formed within the pores of a ceramic alumina substrate.

Keywords: MFI membrane, CO2, nanocomposite, ceramic hollow fibre, ion-exchange

Procedia PDF Downloads 444
14 Strategic Metals and Rare Earth Elements Exploration of Lithium Cesium Tantalum Type Pegmatites: A Case Study from Northwest Himalayas

Authors: Auzair Mehmood, Mohammad Arif

Abstract:

The LCT (Li, Cs and Ta rich)-type pegmatites, genetically related to peraluminous S-type granites, are being mined for strategic metals (SMs) and rare earth elements (REEs) around the world. This study investigates the SMs and REEs potentials of pegmatites that are spatially associated with an S-type granitic suite of the Himalayan sequence, specifically Mansehra Granitic Complex (MGC), northwest Pakistan. Geochemical signatures of the pegmatites and some of their mineral extracts were analyzed using Inductive Coupled Plasma Mass Spectroscopy (ICP-MS) technique to explore and generate potential prospects (if any) for SMs and REEs. In general, the REE patterns of the studied whole-rock pegmatite samples show tetrad effect and possess low total REE abundances, strong positive Europium (Eu) anomalies, weak negative Cesium (Cs) anomalies and relative enrichment in heavy REE. Similar features have been observed on the REE patterns of the feldspar extracts. However, the REE patterns of the muscovite extracts reflect preferential enrichment and possess negative Eu anomalies. The trace element evaluation further suggests that the MGC pegmatites have undergone low levels of fractionation. Various trace elements concentrations (and their ratios) including Ta versus Cs, K/Rb (Potassium/Rubidium) versus Rb and Th/U (Thorium/Uranium) versus K/Cs, were used to analyze the economically viable mineral potential of the studied rocks. On most of the plots, concentrations fall below the dividing line and confer either barren or low-level mineralization potential of the studied rocks for both SMs and REEs. The results demonstrate paucity of the MGC pegmatites with respect to Ta-Nb (Tantalum-Niobium) mineralization, which is in sharp contrast to many Pan-African S-type granites around the world. The MGC pegmatites are classified as muscovite pegmatites based on their K/Rb versus Cs relationship. This classification is consistent with the occurrence of rare accessory minerals like garnet, biotite, tourmaline, and beryl. Furthermore, the classification corroborates with an earlier sorting of the MCG pegmatites into muscovite-bearing, biotite-bearing, and subordinate muscovite-biotite types. These types of pegmatites lack any significant SMs and REEs mineralization potentials. Field relations, such as close spatial association with parent granitic rocks and absence of internal zonation structure, also reflect the barren character and hence lack of any potential prospects of the MGC pegmatites.

Keywords: exploration, fractionation, Himalayas, pegmatites, rare earth elements

Procedia PDF Downloads 167
13 Study of Nanocrystalline Scintillator for Alpha Particles Detection

Authors: Azadeh Farzaneh, Mohammad Reza Abdi, A. Quaranta, Matteo Dalla Palma, Seyedshahram Mortazavi

Abstract:

We report on the synthesis of cesium-iodide nanoparticles using sol-gel technique. The structural properties of CsI nanoparticles were characterized by X-ray diffraction and Scanning Electron Microscope (SEM) Also, optical properties were followed by optical absorption and UV–vis fluorescence. Intense photoluminescence is also observed, with some spectral tuning possible with ripening time getting a range of emission photon wavelength approximately from 366 to 350 nm. The size effect on CsI luminescence leads to an increase in scintillation light yield, a redshift of the emission bands of the on_center and off_center self_trapped excitons (STEs) and an increase in the contribution of the off_center STEs to the net intrinsic emission yield. The energy transfer from the matrix to CsI nanoparticles is a key characteristic for scintillation detectors. So the scintillation spectra to alpha particles of sample were monitored.

Keywords: nanoparticles, luminescence, sol gel, scintillator

Procedia PDF Downloads 556
12 The Effect of Disseminating Basic Knowledge on Radiation in Emergency Distance Learning of COVID-19

Authors: Satoko Yamasaki, Hiromi Kawasaki, Kotomi Yamashita, Susumu Fukita, Kei Sounai

Abstract:

People are susceptible to rumors when the cause of their health problems is unknown or invisible. In order for individuals to be unaffected by rumors, they need basic knowledge and correct information. Community health nursing classes use cases where basic knowledge of radiation can be utilized on a regular basis, thereby teaching that basic knowledge is important in preventing anxiety caused by rumors. Nursing students need to learn that preventive activities are essential for public health nursing care. This is the same methodology used to reduce COVID-19 anxiety among individuals. This study verifies the learning effect concerning the basic knowledge of radiation necessary for case consultation by emergency distance learning. Sixty third-year nursing college students agreed to participate in this research. The knowledge tests conducted before and after classes were compared, with the chi-square test used for testing. There were five knowledge questions regarding distance lessons. This was considered to be 5% significant. The students’ reports which describe the results of responding to health consultations, were analyzed qualitatively and descriptively. In this case study, a person living in an area not affected by radiation was anxious about drinking water and, thus, consulted with a student. The contents of the lecture were selected the minimum amount of knowledge used for the answers of the consultant; specifically hot spots, internal exposure risk, food safety, characteristics of cesium-137, and precautions for counselors. Before taking the class, the most correctly answered question by students concerned daily behavior at risk of internal exposure (52.2%). The question with the fewest correct answers was the selection of places that are likely to be hot spots (3.4%). All responses increased significantly after taking the class (p < 0.001). The answers to the counselors, as written by the students, were 'Cesium is strongly bound to the soil, so it is difficult to transfer to water' and 'Water quality test results of tap water are posted on the city's website.' These were concrete answers obtained by using specialized knowledge. Even in emergency distance learning, the students gained basic knowledge regarding radiation and created a document to utilize said knowledge while assuming the situation concretely. It was thought that the flipped classroom method, even if conducted remotely, could maintain students' learning. It was thought that setting specific knowledge and scenes to be used would enhance the learning effect. By changing the case to concern that of the anxiety caused by infectious diseases, students may be able to effectively gain the basic knowledge to decrease the anxiety of residents due to infectious diseases.

Keywords: effect of class, emergency distance learning, nursing student, radiation

Procedia PDF Downloads 74
11 Physicochemical Characterization of MFI–Ceramic Hollow Fibres Membranes for CO2 Separation with Alkali Metal Cation

Authors: A. Alshebani, Y. Swesi, S. Mrayed, F. Altaher

Abstract:

This paper present some preliminary work on the preparation and physicochemical caracterization of nanocomposite MFI-alumina structures based on alumina hollow fibres. The fibers are manufactured by a wet spinning process. α-alumina particles were dispersed in a solution of polysulfone in NMP. The resulting slurry is pressed through the annular gap of a spinneret into a precipitation bath. The resulting green fibres are sintered. The mechanical strength of the alumina hollow fibres is determined by a three-point-bending test while the pore size is characterized by bubble-point testing. The bending strength is in the range of 110 MPa while the average pore size is 450 nm for an internal diameter of 1 mm and external diameter of 1.7 mm. To characterize the MFI membranes various techniques were used for physicochemical characterization of MFI–ceramic hollow fibres membranes: The nitrogen adsorption, X-ray diffractometry, scanning electron microscopy combined with X emission microanalysis. Scanning Electron Microscopy (SEM) and Energy Dispersive Microanalysis by the X-ray were used to observe the morphology of the hollow fibre membranes (thickness, infiltration into the carrier, defects, homogeneity). No surface film, has been obtained, as observed by SEM and EDX analysis and confirmed by high temperature variation of N2 and CO2 gas permeances before cation exchange. Local analysis and characterise (SEM and EDX) and overall (by ICP elemental analysis) were conducted on two samples exchanged to determine the quantity and distribution of the cation of cesium on the cross section fibre of the zeolite between the cavities.

Keywords: physicochemical characterization of MFI, ceramic hollow fibre, CO2, ion-exchange

Procedia PDF Downloads 304
10 Sediment Dating Effectiveness Using Pb210 Dating Technique at Changshou Lake in Three Gorges Reservoir Region, China

Authors: Raheel Anjum, Jinzhang Gao, Qiang Tang, Xiubin He, Xinbao Zhang, Yi Long, Zhonglin Shi, Mingfeng Wang

Abstract:

Reconstruction of the historic natural and anthropogenic effects on lake ecology has been of increasing concern to protect and improve degrading ecosystems. The dates of the Changshou Lake sediment core were estimated using Lead-210 (²¹⁰Pb) Constant rate of supply (CRS) and Constant Initial Concentration (CIC) models. While historic records such as Cesium-137 (¹³⁷Cs), C/N signals and rainfall erosivity are used as multiple proxies of the reality of the sediment profile dates. The results showed that the combined use of ¹³⁷Cs and ²¹⁰Pb chronologies using the CIC model at Changshou Lake is an effective way to address the average sedimentation rate of (1.65 cm y-1) and consistency between the estimated dates. Whereas, the CRS model estimated relatively older ages for the Changshou Lake native river bed and a misleading average sedimentation rate of (0.09 cm y-1) due to possible turbidity flows or preferential association of ²¹⁰Pb with organic matter. Alternate dating index logically reconstructed the lake ecological variations for total organic carbon, total nitrogen and carbon to nitrogen ratio with respect to historic natural and anthropogenic activities in the catchment. It can be concluded that the CIC dating model provided reliable sedimentation rate and age estimates as compared to ¹³⁷Cs and multiple proxies proposed dating index, whereas the CRS model was not suitable for dating sediment from Changshou Lake. There is a need to investigate advanced techniques for sediment dating problems at Changshou Lake.

Keywords: radiochronology, lead dating, CIC, CRS, rainfall erosivity, alternate dating

Procedia PDF Downloads 25
9 A Method for Solid-Liquid Separation of Cs+ from Radioactive Waste by Using Ionic Liquids and Extractants

Authors: J. W. Choi, S. Y. Cho, H. J. Lee, W. Z. Oh, S. J. Choi

Abstract:

Ionic liquids (ILs), which is alternative to conventional organic solvent, were used for extraction of Cs ions. ILs, as useful environment friendly green solvents, have been recently applied as replacement for traditional volatile organic compounds (VOCs) in liquid/liquid extraction of heavy metal ions as well as organic and inorganic species and pollutants. Thus, Ionic liquids were used for extraction of Cs ions from the liquid radioactive waste. In most cases, Cs ions present in radioactive wastes in very low concentration, approximately less than 1ppm. Therefore, unlike established extraction system the required amount of ILs as extractant is comparatively very small. This extraction method involves cation exchange mechanism in which Cs ion transfers to the organic phase and binds to one crown ether by chelation in exchange of single ILs cation, IL_cation+, transfer to the aqueous phase. In this extraction system showed solid-liquid separation in which the Ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonly)imide (C2mimTf2N) and the crown ether Dicyclohexano-18-crown-6 (DCH18C6) both were used here in very little amount as solvent and as extractant, respectively. 30 mM of CsNO3 was used as simulated waste solution cesium ions. Generally, in liquid-liquid extraction, the molar ratio of CE:Cs+:ILs was 1:5~10:>100, while our applied molar ratio of CE:Cs+:ILs was 1:2:1~10. The quantity of CE and Cs ions were fixed to 0.6 and 1.2 mmol, respectively. The phenomenon of precipitation showed two kinds of separation: solid-liquid separation in the ratio of 1:2:1 and 1:2:2; solid-liquid-liquid separation (3 phase) in the ratio of 1:2:5 and 1:2:10. In the last system, 3 phases were precipitate-ionic liquids-aqueous. The precipitate was verified to consist of Cs+, DCH18C6, Tf2N- based on the cation exchange mechanism. We analyzed precipitate using scanning electron microscopy with X-ray microanalysis (SEM-EDS), an elemental analyser, Fourier transform infrared spectroscopy (FT-IR) and differential scanning calorimetry (DSC). The experimental results showed an easy extraction method and confirmed the composition of solid precipitate. We also obtained information that complex formation ratio of Cs+ to DCH18C6 is 0.88:1 regardless of C2mimTf2N quantities.

Keywords: extraction, precipitation, solid-liquid seperation, ionic liquid, precipitate

Procedia PDF Downloads 379
8 Lead-Free Inorganic Cesium Tin-Germanium Triiodide Perovskites for Photovoltaic Application

Authors: Seyedeh Mozhgan Seyed-Talebi, Javad Beheshtian

Abstract:

The toxicity of lead associated with the lifecycle of perovskite solar cells (PSCs( is a serious concern which may prove to be a major hurdle in the path toward their commercialization. The current proposed lead-free PSCs including Ag(I), Bi(III), Sb(III), Ti(IV), Ge(II), and Sn(II) low-toxicity cations are still plagued with the critical issues of poor stability and low efficiency. This is mainly because of their chemical stability. In the present research, utilization of all inorganic CsSnGeI3 based materials offers the advantages to enhance resistance of device to degradation, reduce the cost of cells, and minimize the carrier recombination. The presence of inorganic halide perovskite improves the photovoltaic parameters of PCSs via improved surface coverage and stability. The inverted structure of simulated devices using a 1D simulator like solar cell capacitance simulator (SCAPS) version 3308 involves TCOHTL/Perovskite/ETL/Au contact layer. PEDOT:PSS, PCBM, and CsSnGeI3 used as hole transporting layer (HTL), electron transporting layer (ETL), and perovskite absorber layer in the inverted structure for the first time. The holes are injected from highly stable and air tolerant Sn0.5Ge0.5I3 perovskite composition to HTM and electrons from the perovskite to ETL. Simulation results revealed a great dependence of power conversion efficiency (PCE) on the thickness and defect density of perovskite layer. Here the effect of an increase in operating temperature from 300 K to 400 K on the performance of CsSnGeI3 based perovskite devices is investigated. Comparison between simulated CsSnGeI3 based PCSs and similar real testified devices with spiro-OMeTAD as HTL showed that the extraction of carriers at the interfaces of perovskite absorber depends on the energy level mismatches between perovskite and HTL/ETL. We believe that optimization results reported here represent a critical avenue for fabricating the stable, low-cost, efficient, and eco-friendly all-inorganic Cs-Sn-Ge based lead-free perovskite devices.

Keywords: hole transporting layer, lead-free, perovskite solar cell, SCAPS-1D, Sn-Ge based

Procedia PDF Downloads 104
7 Toxic Metal and Radiological Risk Assessment of Soil, Water and Vegetables around a Gold Mine Turned Residential Area in Mokuro Area of Ile-Ife, Osun State Nigeria: An Implications for Human Health

Authors: Grace O. Akinlade, Danjuma D. Maza, Oluwakemi O. Olawolu, Delight O. Babalola, John A. O. Oyekunle, Joshua O. Ojo

Abstract:

The Mokuro area of Ile-Ife, South West Nigeria, was well known for gold mining in the past (about twenty years ago). However, the place has since been reclaimed and converted to residential area without any environmental risk assessment of the impact of the mining tailings on the environment. Soil, water, and plant samples were collected from 4 different locations around the mine-turned-residential area. Soil samples were pulverized and sieved into finer particles, while the plant samples were dried and pulverized. All the samples were digested and analyzed for As, Pb, Cd, and Zn using atomic absorption spectroscopy (AAS). From the analysis results, the hazard index (HI) was then calculated for the metals. The soil and plant samples were air dried and pulverized, then weighed, after which the samples were packed into special and properly sealed containers to prevent radon gas leakage. After the sealing, the samples were kept for 28 days to attain secular equilibrium. The concentrations of 40K, 238U, and 232Th in the samples were measured using a cesium iodide (CsI) spectrometer and URSA software. The AAS analysis showed that As, Pb, Cd (Toxic metals), and Zn (essential trace metals) are in concentrations lower than permissible limits in plants and soil samples, while the water samples had concentrations higher than permissible limits. The calculated health indices (HI) show that HI for water is >1 and that of plants and soil is <1. Gamma spectrometry result shows high levels of activity concentrations above the recommended limits for all the soil and plant samples collected from the area. Only the water samples have activity concentrations below the recommended limit. Consequently, the absorbed dose, annual effective dose, and excess lifetime cancer risk are all above the recommended safe limit for all the samples except for water samples. In conclusion, all the samples collected from the area are either contaminated with toxic metals or they pose radiological hazards to the consumers. Further detailed study is therefore recommended in order to be able to advise the residents appropriately.

Keywords: toxic metals, gamma spectrometry, Ile-Ife, radiological hazards, gold mining

Procedia PDF Downloads 7
6 Properties of the CsPbBr₃ Quantum Dots Treated by O₃ Plasma for Integration in the Perovskite Solar Cell

Authors: Sh. Sousani, Z. Shadrokh, M. Hofbauerová, J. Kollár, M. Jergel, P. Nádaždy, M. Omastová, E. Majková

Abstract:

Perovskite quantum dots (PQDs) have the potential to increase the performance of the perovskite solar cell (PSCs). The integration of PQDs into PSCs can extend the absorption range and enhance photon harvesting and device efficiency. In addition, PQDs can stabilize the device structure by passivating surface defects and traps in the perovskite layer and enhance its stability. The integration of PQDs into PSCs is strongly affected by the type of ligands on the surface of PQDs. The ligands affect the charge transport properties of PQDs, as well as the formation of well-defined interfaces and stability of PSCs. In this work, the CsPbBr₃ QDs were synthesized by the conventional hot-injection method using cesium oleate, PbBr₂ and two different ligands, namely oleic acid (OA) oleylamine (OAm) and didodecyldimethylammonium bromide (DDAB). The STEM confirmed regular shape and relatively monodisperse cubic structure with an average size of about 10-14 nm of the prepared CsPbBr₃ QDs. Further, the photoluminescent (PL) properties of the PQDs/perovskite bilayer with the ligand OA, OAm and DDAB were studied. For this purpose, ITO/PQDs as well as ITO/PQDs/MAPI perovskite structures were prepared by spin coating and the effect of the ligand and oxygen plasma treatment was analyzed. The plasma treatment of the PQDs layer could be beneficial for the deposition of the MAPI perovskite layer and the formation of a well-defined PQDs/MAPI interface. The absorption edge in UV-Vis absorption spectra for OA, OAm CsPbBr₃ QDs is placed around 513 nm (the band gap 2.38 eV); for DDAB CsPbBr₃ QDs, it is located at 490 nm (the band gap 2.33 eV). The photoluminescence (PL) spectra of CsPbBr₃ QDs show two peaks located around 514 nm (503 nm) and 718 nm (708 nm) for OA, OAm (DDAB). The peak around 500 nm corresponds to the PL of PQDs, and the peak close to 710 nm belongs to the surface states of PQDs for both types of ligands. These surface states are strongly affected by the O₃ plasma treatment. For PQDs with DDAB ligand, the O₃ exposure (5, 10, 15 s) results in the blue shift of the PQDs peak and a non-monotonous change of the amplitude of the surface states' peak. For OA, OAm ligand, the O₃ exposition did not cause any shift of the PQDs peak, and the intensity of the PL peak related to the surface states is lower by one order of magnitude in comparison with DDAB, being affected by O₃ plasma treatment. The PL results indicate the possibility of tuning the position of the PL maximum by the ligand of the PQDs. Similar behavior of the PQDs layer was observed for the ITO/QDs/MAPI samples, where an additional strong PL peak at 770 nm coming from the perovskite layer was observed; for the sample with PQDs with DDAB ligands, a small blue shift of the perovskite PL maximum was observed independently of the plasma treatment. These results suggest the possibility of affecting the PL maximum position and the surface states of the PQDs by the combination of a suitable ligand and the O₃ plasma treatment.

Keywords: perovskite quantum dots, photoluminescence, O₃ plasma., Perovskite Solar Cells

Procedia PDF Downloads 26
5 Properties of the CsPbBr₃ Quantum Dots Treated by O₃ Plasma for Integration in the Perovskite Solar Cell

Authors: Sh. Sousani, Z. Shadrokh, M. Hofbauerová, J. Kollár, M. Jergel, P. Nádaždy, M. Omastová, E. Majková

Abstract:

Perovskite quantum dots (PQDs) have the potential to increase the performance of the perovskite solar cells (PSCs). The integration of PQDs into PSCs can extend the absorption range and enhance photon harvesting and device efficiency. In addition, PQDs can stabilize the device structure by passivating surface defects and traps in the perovskite layer and enhance its stability. The integration of PQDs into PSCs is strongly affected by the type of ligands on the surface of PQDs. The ligands affect the charge transport properties of PQDs, as well as the formation of well-defined interfaces and stability of PSCs. In this work, the CsPbBr₃ QDs were synthesized by the conventional hot-injection method using cesium oleate, PbBr₂, and two different ligands, namely oleic acid (OA)@oleylamine (OAm) and didodecyldimethylammonium bromide (DDAB). The STEM confirmed regular shape and relatively monodisperse cubic structure with an average size of about 10-14 nm of the prepared CsPbBr₃ QDs. Further, the photoluminescent (PL) properties of the PQDs/perovskite bilayer with the ligand OA@OAm and DDAB were studied. For this purpose, ITO/PQDs, as well as ITO/PQDs/MAPI perovskite structures, were prepared by spin coating, and the effect of the ligand and oxygen plasma treatment was analysed. The plasma treatment of the PQDs layer could be beneficial for the deposition of the MAPI perovskite layer and the formation of a well-defined PQDs/MAPI interface. The absorption edge in UV-Vis absorption spectra for OA@OAm CsPbBr₃ QDs is placed around 513 nm (the band gap 2.38 eV); for DDAB CsPbBr₃ QDs, it is located at 490 nm (the band gap 2.33 eV). The photoluminescence (PL) spectra of CsPbBr₃ QDs show two peaks located around 514 nm (503 nm) and 718 nm (708 nm) for OA@OAm (DDAB). The peak around 500 nm corresponds to the PL of PQDs, and the peak close to 710 nm belongs to the surface states of PQDs for both types of ligands. These surface states are strongly affected by the O₃ plasma treatment. For PQDs with DDAB ligand, the O₃ exposure (5, 10, 15 s) results in the blue shift of the PQDs peak and a non-monotonous change of the amplitude of the surface states' peak. For OA@OAm ligand, the O₃ exposition did not cause any shift of the PQDs peak, and the intensity of the PL peak related to the surface states is lower by one order of magnitude in comparison with DDAB, being affected by O₃ plasma treatment. The PL results indicate the possibility of tuning the position of the PL maximum by the ligand of the PQDs. Similar behaviour of the PQDs layer was observed for the ITO/QDs/MAPI samples, where an additional strong PL peak at 770 nm coming from the perovskite layer was observed; for the sample with PQDs with DDAB ligands, a small blue shift of the perovskite PL maximum was observed independently of the plasma treatment. These results suggest the possibility of affecting the PL maximum position and the surface states of the PQDs by the combination of a suitable ligand and the O₃ plasma treatment.

Keywords: perovskite quantum dots, photoluminescence, O₃ plasma., perovskite solar cells

Procedia PDF Downloads 21
4 Efficient Synthesis of Highly Functionalized Biologically Important Spirocarbocyclic Oxindoles via Hauser Annulation

Authors: Kanduru Lokesh, Venkitasamy Kesavan

Abstract:

The unique structural features of spiro-oxindoles with diverse biological activities have made them privileged structures in new drug discovery. The key structural characteristic of these compounds is the spiro ring fused at the C-3 position of the oxindole core with varied heterocyclic motifs. Structural diversification of heterocyclic scaffolds to synthesize new chemical entities as pharmaceuticals and agrochemicals is one of the important goals of synthetic organic chemists. Nitrogen and oxygen containing heterocycles are by far the most widely occurring privileged structures in medicinal chemistry. The structural complexity and distinct three-dimensional arrangement of functional groups of these privileged structures are generally responsible for their specificity against biological targets. Structurally diverse compound libraries have proved to be valuable assets for drug discovery against challenging biological targets. Thus, identifying a new combination of substituents at C-3 position on oxindole moiety is of great importance in drug discovery to improve the efficiency and efficacy of the drugs. The development of suitable methodology for the synthesis of spiro-oxindole compounds has attracted much interest often in response to the significant biological activity displayed by the both natural and synthetic compounds. So creating structural diversity of oxindole scaffolds is need of the decade and formidable challenge. A general way to improve synthetic efficiency and also to access diversified molecules is through the annulation reactions. Annulation reactions allow the formation of complex compounds starting from simple substrates in a single transformation consisting of several steps in an ecologically and economically favorable way. These observations motivated us to develop the annulation reaction protocol to enable the synthesis of a new class of spiro-oxindole motifs which in turn would enable the enhancement of molecular diversity. As part of our enduring interest in the development of novel, efficient synthetic strategies to enable the synthesis of biologically important oxindole fused spirocarbocyclic systems, We have developed an efficient methodology for the construction of highly functionalized spirocarbocyclic oxindoles through [4+2] annulation of phthalides via Hauser annulation. functionalized spirocarbocyclic oxindoles was accomplished for the first time in the literature using Hauser annulation strategy. The reaction between methyleneindolinones and arylsulfonylphthalides catalyzed by cesium carbonate led to the access of new class of biologically important spiro[indoline-3,2'-naphthalene] derivatives in very good yields. The synthetic utility of the annulated product was further demonstrated by fluorination Using NFSI as a fluorinating agent to furnish corresponding fluorinated product.

Keywords: Hauser-Kraus annulation, spiro carbocyclic oxindoles, oxindole-ester, fluoridation

Procedia PDF Downloads 167
3 Density Functional Theory Study of the Surface Interactions between Sodium Carbonate Aerosols and Fission Products

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

Abstract:

The interaction of fission products (FP) with sodium carbonate (Na₂CO₃) aerosols is of a high safety concern because of their potential role in the radiological source term mitigation by FP trapping. In a sodium-cooled fast nuclear reactor (SFR) experiencing a severe accident, sodium (Na) aerosols can be formed after the ejection of the liquid Na coolant inside the containment. The surface interactions between these aerosols and different FP species have been investigated using ab-initio, density functional theory (DFT) calculations using Vienna ab-initio simulation package (VASP). In addition, an improved thermodynamic model has been proposed to treat DFT-VASP calculated energies to extrapolate them to temperatures and pressures of interest in our study. A combined experimental and theoretical chemistry study has been carried out to have both atomistic and macroscopic understanding of the chemical processes; the theoretical chemistry part of this approach is presented in this paper. The Perdew, Burke, and Ernzerhof functional were applied in combination with Grimme’s van der Waals correction to compute exchange-correlational energy at 0 K. Seven different surface cleavages were studied of Ƴ-Na₂CO₃ phase (stable at 603.15 K), it was found that for defect-free surfaces, the (001) facet is the most stable. Furthermore, calculations were performed to study surface defects and reconstructions on the ideal surface. All the studied surface defects were found to be less stable than the ideal surface. More than one adsorbate-ligand configurations were found to be stable confirming that FP vapors could be trapped on various adsorption sites. The calculated adsorption energies (Eads, eV) for the three most stable adsorption sites for I₂ are -1.33, -1.088, and -1.085. Moreover, the adsorption of the first molecule of I₂ changes the surface in a way which would favor stronger adsorption of a second molecule of I2 (Eads, eV = -1.261). For HI adsorption, the most favored reactions have the following Eads (eV) -1.982, -1.790, -1.683 implying that HI would be more reactive than I₂. In addition to FP species, adsorption of H₂O was also studied as the hydrated surface can have different reactivity than the bare surface. One thermodynamically favored site for H₂O adsorption was found with an Eads, eV of -0.754. Finally, the calculations of hydrated surfaces of Na₂CO₃ show that a layer of water adsorbed on the surface significantly reduces its affinity for iodine (Eads, eV = -1.066). According to the thermodynamic model built, the required partial pressure at 373 K to have adsorption of the first layer of iodine is 4.57×10⁻⁴ bar. The second layer will be adsorbed at partial pressures higher than 8.56×10⁻⁶ bar; a layer of water on the surface will increase these pressure almost ten folds to 3.71×10⁻³ bar. The surface interacts with elemental Cs with an Eads (eV) of -1.60, while interacts even strongly with CsI with an Eads (eV) of -2.39. More results on the interactions between Na₂CO₃ (001) and cesium-based FP will also be presented in this paper.

Keywords: iodine uptake, sodium carbonate surface, sodium-cooled fast nuclear reactor, DFT calculations, fission products

Procedia PDF Downloads 116