Search results for: optical properties
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9734

Search results for: optical properties

5654 Bioactive Potentials of Peptides and Lipids from Green Mussel (Perna viridis), Horse Mussel (Modiolus philippinarum) and Charru Mussel (Mytella charruana)

Authors: Sharon N. Nuñal, May Flor S. Muegue, Nizzy Hope N. Cartago, Raymund B. Parcon, Sheina B. Logronio

Abstract:

The antioxidant and anti-inflammatory potentials of Perna Viridis, Modiolus philippinarum, and Mytella charruana found in the Philippines were assessed. Mussel protein samples were hydrolyzed using trypsin, maturase, alcalase and pepsin at 1% and 2% concentrations and then fractionated through membrane filtration (<10 kDa and <30 kDa). Antioxidant assays showed that pepsin hydrolysate at 2% enzyme concentration exhibited the maximum activities for both 2,2-Diphenyl-1-picrylhydrazyl (DPPH) Radical Scavenging Activity (155-176 µM TE/mg protein) and 2,2-azinobis-(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) radical scavenging (67-68 µM TE/mg protein) assays while trypsin hydrolysate dominated the Ferric Reducing Antioxidant Power (FRAP) for the three mussel species. Lower molecular weight peptide fractions at <10 kDa exhibited better antioxidant activities than the higher molecular weight fractions. The anti-inflammatory activities of M. philippinarum and M. charruana showed comparable protein denaturation inhibition potentials with the highest in P. Viridis samples (98.93%). The 5-Lipoxygenase (5-LOX) inhibitory activities of mussel samples showed no significant difference with inhibition exceeding 70%. P. Viridis demonstrated the highest inhibition against Cyclooxygenase-2 (COX-2) at 56.19%, while the rest showed comparable activities. This study showed that the three mussel species are potential sources of bioactive peptides and lipids with antioxidant and anti-inflammatory properties.

Keywords: anti-inflammatory, antioxidant, bioactive properties, mussel

Procedia PDF Downloads 192
5653 Determination of the Thermophysical Characteristics of the Composite Material Clay Cement Paper

Authors: A. Ouargui, N. Belouaggadia, M. Ezzine

Abstract:

In Morocco, the building sector is largely responsible for the evolution of energy consumption. The control of energy in this sector remains a major issue despite the rise of renewable energies. The design of an environmentally friendly building requires mastery and knowledge of energy and bioclimatic aspects. This implies taking into consideration of all the elements making up the building and the way in which energy exchanges take place between these elements. In this context, thermal insulation seems to be an ideal starting point for reducing energy consumption and greenhouse gas emissions. In this context, thermal insulation seems to be an ideal starting point for reducing energy consumption and greenhouse gas emissions. The aim of this work is to provide some solutions to reduce energy consumption while maintaining thermal comfort in the building. The objective of our work is to present an experimental study on the characterization of local materials used in the thermal insulation of buildings. These are paper recycling stabilized with cement and clay. The thermal conductivity of these materials, which were constituted based on sand, clay, cement; water, as well as treated paper, was determined by the guarded-hot-plate method. It involves the design of two materials that will subsequently be subjected to thermal and mechanical tests to determine their thermophysical properties. The results show that the thermal conductivity decreases as well in the case of the paper-cement mixture as that of the paper-clay and seems to stabilize around 40%. Measurements of mechanical properties such as flexural strength have shown that the enrichment of the studied material with paper makes it possible to reduce the flexural strength by 20% while optimizing the conductivity.

Keywords: building, composite material, insulation, thermal conductivity, paper residue

Procedia PDF Downloads 112
5652 Predictive Modelling of Curcuminoid Bioaccessibility as a Function of Food Formulation and Associated Properties

Authors: Kevin De Castro Cogle, Mirian Kubo, Maria Anastasiadi, Fady Mohareb, Claire Rossi

Abstract:

Background: The bioaccessibility of bioactive compounds is a critical determinant of the nutritional quality of various food products. Despite its importance, there is a limited number of comprehensive studies aimed at assessing how the composition of a food matrix influences the bioaccessibility of a compound of interest. This knowledge gap has prompted a growing need to investigate the intricate relationship between food matrix formulations and the bioaccessibility of bioactive compounds. One such class of bioactive compounds that has attracted considerable attention is curcuminoids. These naturally occurring phytochemicals, extracted from the roots of Curcuma longa, have gained popularity owing to their purported health benefits and also well known for their poor bioaccessibility Project aim: The primary objective of this research project is to systematically assess the influence of matrix composition on the bioaccessibility of curcuminoids. Additionally, this study aimed to develop a series of predictive models for bioaccessibility, providing valuable insights for optimising the formula for functional foods and provide more descriptive nutritional information to potential consumers. Methods: Food formulations enriched with curcuminoids were subjected to in vitro digestion simulation, and their bioaccessibility was characterized with chromatographic and spectrophotometric techniques. The resulting data served as the foundation for the development of predictive models capable of estimating bioaccessibility based on specific physicochemical properties of the food matrices. Results: One striking finding of this study was the strong correlation observed between the concentration of macronutrients within the food formulations and the bioaccessibility of curcuminoids. In fact, macronutrient content emerged as a very informative explanatory variable of bioaccessibility and was used, alongside other variables, as predictors in a Bayesian hierarchical model that predicted curcuminoid bioaccessibility accurately (optimisation performance of 0.97 R2) for the majority of cross-validated test formulations (LOOCV of 0.92 R2). These preliminary results open the door to further exploration, enabling researchers to investigate a broader spectrum of food matrix types and additional properties that may influence bioaccessibility. Conclusions: This research sheds light on the intricate interplay between food matrix composition and the bioaccessibility of curcuminoids. This study lays a foundation for future investigations, offering a promising avenue for advancing our understanding of bioactive compound bioaccessibility and its implications for the food industry and informed consumer choices.

Keywords: bioactive bioaccessibility, food formulation, food matrix, machine learning, probabilistic modelling

Procedia PDF Downloads 55
5651 Flooring Solution for Sports Courts Such as Ecological Mortar

Authors: Helida T. G. Soares, Antonio J. P. da Silva

Abstract:

As the society develops, the accumulation of solid waste in landfills, in the environment, and the depletion of the raw material increases. In this way, there is relevance in researching the interaction between the environmental management and civil construction; therefore, this project has for scope the analysis and the effects of the rubber microparticles use as a small aggregate added to the sand, producing an ecological mortar for the pavement constitution, from the mixture of a paste, composed of Portland cement and water, and its application in sports courts. It was used the detailed reutilization of micro rubber in its most primordial, micro form, highlighting the powder pattern as the additional balancing of the mortar, analyzing the evolution of the mechanical properties. Percentages of 5, 10 and 15% rubber were used based on the total mass of the trace, where there is no removal of aggregates or cement, only increment of the rubber. The results obtained through the mechanical test of simple compression showed that the rubber, added to the mortar, presents low mechanical resistance compared to the reference trait, the study of this subject is vast of possibilities to be explored. In this sense, we seek sustainability and innovation from the use of an ecological material, thus adding value and reducing the impact of this material on the environment. The manufacturing process takes place from the direct mixing of cement paste and rubber, whether manually, mechanically or industrially. It results in the production of a low-cost mortar, through the use of recycled rubber, with high efficiency in general properties, such as compressive strength and friction coefficient, allowing its use for the construction of floors for sports courts with high durability. Thus, it is possible to reuse this micro rubber residue in other applications in simple concrete artifacts.

Keywords: civil construction, ecological mortar, high efficiency, rubber

Procedia PDF Downloads 125
5650 Perspectives and Challenges Functional Bread with Yeast Extract to Improve Human Diet

Authors: Jelena Filipović, Milenko Košutić, Vladimir Filipović

Abstract:

In the last decades, the urban population has been characterized by sedentary lifestyles, low physical activity, and "fast food". These changes in diet and physical nonactivity have been associated with an increase in chronic diseases. Bread is one of the most popular wheat products consumed worldwide. Spelt wheat has shown potential in various food applications, including bread, pasta, breakfast cereal, and other products of altered nutritional characteristics compared to conventional wheat products. It has very high protein content and even 30 to 60% higher concentration of mineral elements Fe, Zn, Cu, Mg and P compared to Triticum Aestivum. Spelt wheat is growing without the use of pesticides in harsh ecological conditions and it is an old cultivar. So it can be used for organic and health-safe food. Changes in the formulation of bread with the aim of improving its nutritional and functional properties usually lead to changes in the dough's properties, which are related to the quality of the finished product. The aim of this paper is to research the impact of adding yeast extract to bread on sensory characteristics and consumer acceptance of a new product as a key factor for the successful marketing of a distinct product. The sensory analysis of bread with 5% yeast extract is as follows: the technological quality is very good (3.8), and the color of the product is excellent (4.85). Based on data, consumers' survey declared that they liked the taste of bread with 5% yeast extract (74%), consumers marked the product as likable (70%), and 75% of the total number of respondents would buy this new product. This paper is promoting a type of bread with 5% yeast extract (Z score 0.80) to improve diet and a product intended for consumers conscious about their health and diet.

Keywords: bread, yeast extract, sensory analysis, consumer survey, score analysis

Procedia PDF Downloads 35
5649 Geological and Geotechnical Investigation of a Landslide Prone Slope Along Koraput- Rayagada Railway Track Odisha, India: A Case Study

Authors: S. P. Pradhan, Amulya Ratna Roul

Abstract:

A number of landslides are occurring during the rainy season along Rayagada-Koraput Railway track for past three years. The track was constructed about 20 years ago. However, the protection measures are not able to control the recurring slope failures now. It leads to a loss to Indian Railway and its passengers ultimately leading to wastage of time and money. The slopes along Rayagada-Koraput track include both rock and soil slopes. The rock types include mainly Khondalite and Charnockite whereas soil slopes are mainly composed of laterite ranging from less weathered to highly weathered laterite. The field studies were carried out in one of the critical slope. Field study was followed by the kinematic analysis to assess the type of failure. Slake Durability test, Uniaxial Compression test, specific gravity test and triaxial test were done on rock samples to calculate and assess properties such as weathering index, unconfined compressive strength, density, cohesion, and friction angle. Following all the laboratory tests, rock mass rating was calculated. Further, from Kinematic analysis and Rock Mass Ratingbasic, Slope Mass Rating was proposed for each slope. The properties obtained were used to do the slope stability simulations using finite element method based modelling. After all the results, suitable protection measures, to prevent the loss due to slope failure, were suggested using the relation between Slope Mass Rating and protection measures.

Keywords: landslides, slope stability, rock mass rating, slope mass rating, numerical simulation

Procedia PDF Downloads 165
5648 Enhanced Energy Powers via Composites of Piezoelectric CH₃NH₃PbI₃ and Flexoelectric Zn-Al:Layered Double Hydroxides (LDH) Nanosheets

Authors: Soon-Gil Yoon, Min-Ju Choi, Sung-Ho Shin, Junghyo Nah, Jin-Seok Choi, Hyun-A Song, Goeun Choi, Jin-Ho Choy

Abstract:

Layered double hydroxides (LDHs) with positively charged brucite-like layers and negatively charged interlayer anions are considered a critical nanoscale building block with potential for application in catalysts, biological sensors, and optical, electrical, and magnetic devices. LDHs also have a great potential as an energy conversion device, a key component in common modern electronics. Although LDHs are theoretically predicted to be centrosymmetric, we report here the first observations of the flexoelectric nature of LDHs and demonstrate their potential as an effective energy conversion material. We clearly show a linear energy conversion relationship between the output powers and curvature radius via bending with both the LDH nanosheets and thin films, revealing a direct evidence for flexoelectric effects. These findings potentially open up avenues to incorporate a flexoelectric coupling phenomenon into centrosymmetric materials such as LDHs and to harvest high-power energy using LDH nanosheets. In the present study, for enhancement of the output power, Zn-Al:LDH nanosheets were composited with piezoelectric CH3NH3PbI3 (MAPbI3) dye films and their enhanced energy harvesting was demonstrated in detail.

Keywords: layered double hydroxides, flexoelectric, piezoelectric, energy harvesting

Procedia PDF Downloads 467
5647 Vibration Analysis of Stepped Nanoarches with Defects

Authors: Jaan Lellep, Shahid Mubasshar

Abstract:

A numerical solution is developed for simply supported nanoarches based on the non-local theory of elasticity. The nanoarch under consideration has a step-wise variable cross-section and is weakened by crack-like defects. It is assumed that the cracks are stationary and the mechanical behaviour of the nanoarch can be modeled by Eringen’s non-local theory of elasticity. The physical and thermal properties are sensitive with respect to changes of dimensions in the nano level. The classical theory of elasticity is unable to describe such changes in material properties. This is because, during the development of the classical theory of elasticity, the speculation of molecular objects was avoided. Therefore, the non-local theory of elasticity is applied to study the vibration of nanostructures and it has been accepted by many researchers. In the non-local theory of elasticity, it is assumed that the stress state of the body at a given point depends on the stress state of each point of the structure. However, within the classical theory of elasticity, the stress state of the body depends only on the given point. The system of main equations consists of equilibrium equations, geometrical relations and constitutive equations with boundary and intermediate conditions. The system of equations is solved by using the method of separation of variables. Consequently, the governing differential equations are converted into a system of algebraic equations whose solution exists if the determinant of the coefficients of the matrix vanishes. The influence of cracks and steps on the natural vibration of the nanoarches is prescribed with the aid of additional local compliance at the weakened cross-section. An algorithm to determine the eigenfrequencies of the nanoarches is developed with the help of computer software. The effects of various physical and geometrical parameters are recorded and drawn graphically.

Keywords: crack, nanoarches, natural frequency, step

Procedia PDF Downloads 114
5646 Currently Use Pesticides: Fate, Availability, and Effects in Soils

Authors: Lucie Bielská, Lucia Škulcová, Martina Hvězdová, Jakub Hofman, Zdeněk Šimek

Abstract:

The currently used pesticides represent a broad group of chemicals with various physicochemical and environmental properties which input has reached 2×106 tons/year and is expected to even increases. From that amount, only 1% directly interacts with the target organism while the rest represents a potential risk to the environment and human health. Despite being authorized and approved for field applications, the effects of pesticides in the environment can differ from the model scenarios due to the various pesticide-soil interactions and resulting modified fate and behavior. As such, a direct monitoring of pesticide residues and evaluation of their impact on soil biota, aquatic environment, food contamination, and human health should be performed to prevent environmental and economic damages. The present project focuses on fluvisols as they are intensively used in the agriculture but face to several environmental stressors. Fluvisols develop in the vicinity of rivers by the periodic settling of alluvial sediments and periodic interruptions to pedogenesis by flooding. As a result, fluvisols exhibit very high yields per area unit, are intensively used and loaded by pesticides. Regarding the floods, their regular contacts with surface water arise from serious concerns about the surface water contamination. In order to monitor pesticide residues and assess their environmental and biological impact within this project, 70 fluvisols were sampled over the Czech Republic and analyzed for the total and bioaccessible amounts of 40 various pesticides. For that purpose, methodologies for the pesticide extraction and analysis with liquid chromatography-mass spectrometry technique were developed and optimized. To assess the biological risks, both the earthworm bioaccumulation tests and various types of passive sampling techniques (XAD resin, Chemcatcher, and silicon rubber) were optimized and applied. These data on chemical analysis and bioavailability were combined with the results of soil analysis, including the measurement of basic physicochemical soil properties as well detailed characterization of soil organic matter with the advanced method of diffuse reflectance infrared spectrometry. The results provide unique data on the residual levels of pesticides in the Czech Republic and on the factors responsible for increased pesticide residue levels that should be included in the modeling of pesticide fate and effects.

Keywords: currently used pesticides, fluvisoils, bioavailability, Quechers, liquid-chromatography-mass spectrometry, soil properties, DRIFT analysis, pesticides

Procedia PDF Downloads 444
5645 The Development of a Miniaturized Raman Instrument Optimized for the Detection of Biosignatures on Europa

Authors: Aria Vitkova, Hanna Sykulska-Lawrence

Abstract:

In recent years, Europa has been one of the major focus points in astrobiology due to its high potential of harbouring life in the vast ocean underneath its icy crust. However, the detection of life on Europa faces many challenges due to the harsh environmental conditions and mission constraints. Raman spectroscopy is a highly capable and versatile in-situ characterisation technique that does not require any sample preparation. It has only been used on Earth to date; however, recent advances in optical and laser technology have also allowed it to be considered for extraterrestrial exploration. So far, most efforts have been focused on the exploration of Mars, the most imminent planetary target. However, as an emerging technology with high miniaturization potential, Raman spectroscopy also represents a promising tool for the exploration of Europa. In this study, the capabilities of Raman technology in terms of life detection on Europa are explored and assessed. Spectra of biosignatures identified as high priority molecular targets for life detection on Europa were acquired at various excitation wavelengths and conditions analogous to Europa. The effects of extremely low temperatures and low concentrations in water ice were explored and evaluated in terms of the effectiveness of various configurations of Raman instruments. Based on the findings, a design of a miniaturized Raman instrument optimized for in-situ detection of life on Europa is proposed.

Keywords: astrobiology, biosignatures, Europa, life detection, Raman Spectroscopy

Procedia PDF Downloads 187
5644 Enhancing the Rollability of Cu-Ge-Ni Alloy through Heat Treatment Methods

Authors: Morteza Hadi

Abstract:

This research investigates the potential enhancement of the rollability of Cu-Ge-Ni alloy through the mitigation of microstructural and compositional inhomogeneities via two distinct heat treatment methods: homogenization and solution treatment. To achieve this objective, the alloy with the desired composition was fabricated using a vacuum arc remelting furnace (VAR), followed by sample preparation for microstructural, compositional, and heat treatment analyses at varying temperatures and durations. Characterization was conducted employing optical and scanning electron microscopy (SEM), X-ray diffraction (XRD), and Vickers hardness testing. The results obtained indicate that a minimum duration of 10 hours is necessary for adequate homogenization of the alloy at 750°C. This heat treatment effectively removes coarse dendrites from the casting microstructure and significantly reduces elemental separations. However, despite these improvements, the presence of a second phase with markedly different hardness from the matrix results in poor rolling ability for the alloy. The optimal time for solution treatment at various temperatures was determined, with the most effective cycle identified as 750°C for 2 hours, followed by rapid quenching in water. This process induces the formation of a single-phase microstructure and complete elimination of the second  phase, as confirmed by X-ray diffraction analysis. Results demonstrate a reduction in hardness by 30 Vickers, and the elimination of microstructural unevenness enables successful thickness reduction by up to 50% through rolling without encountering cracking.

Keywords: Cu-Ge-Ni alloy, homogenization. solution treatment, rollability

Procedia PDF Downloads 30
5643 Thermoluminescence Characteristic of Nanocrystalline BaSO4 Doped with Europium

Authors: Kanika S. Raheja, A. Pandey, Shaila Bahl, Pratik Kumar, S. P. Lochab

Abstract:

The subject of undertaking for this paper is the study of BaSO4 nanophosphor doped with Europium in which mainly the concentration of the rare earth impurity Eu (0.05, 0.1, 0.2, 0.5, and 1 mol %) has been varied. A comparative study of the thermoluminescence(TL) properties of the given nanophosphor has also been done using a well-known standard dosimetry material i.e. TLD-100.Firstly, a number of samples were prepared successfully by the chemical co-precipitation method. The whole lot was then compared to a well established standard material (TLD-100) for its TL sensitivity property. BaSO4:Eu ( 0.2 mol%) showed the highest sensitivity out of the lot. It was also found that when compared to the standard TLD-100, BaSo4:Eu (0.2mol%) showed surprisingly high sensitivity for a large range of doses. The TL response curve for all prepared samples has also been studied over a wide range of doses i.e 10Gy to 2kGy for gamma radiation. Almost all the samples of BaSO4:Eu showed a remarkable linearity for a broad range of doses, which is a characteristic feature of a fine TL dosimeter. The graph remained linear even beyond 1kGy for gamma radiation. Thus, the given nanophosphor has been successfully optimised for the concentration of the dopant material to achieve its highest TL sensitivity. Further, the comparative study with the standard material revealed that the current optimised sample shows an astonishingly better TL sensitivity and a phenomenal linear response curve for an incredibly wide range of doses for gamma radiation (Co-60) as compared to the standard TLD-100, which makes the current optimised BaSo4:Eu quite promising as an efficient gamma radiation dosimeter. Lastly, the present phosphor has been optimised for its annealing temperature to acquire the best results while also studying its fading and reusability properties.

Keywords: gamma radiation, nanoparticles, radiation dosimetry, thermoluminescence

Procedia PDF Downloads 414
5642 Variant Selection and Pre-transformation Phase Reconstruction for Deformation-Induced Transformation in AISI 304 Austenitic Stainless Steel

Authors: Manendra Singh Parihar, Sandip Ghosh Chowdhury

Abstract:

Austenitic stainless steels are widely used and give a good combination of properties. When this steel is plastically deformed, a phase transformation of the metastable Face Centred Cubic Austenite to the stable Body Centred Cubic (α’) or to the Hexagonal close packed (ԑ) martensite may occur, leading to the enhancement in the mechanical properties like strength. The work was based on variant selection and corresponding texture analysis for the strain induced martensitic transformation during deformation of the parent austenite FCC phase to form the product HCP and the BCC martensite phases separately, obeying their respective orientation relationships. The automated method for reconstruction of the parent phase orientation using the EBSD data of the product phase orientation is done using the MATLAB and TSL-OIM software. The method of triplets was used which involves the formation of a triplet of neighboring product grains having a common variant and linking them using a misorientation-based criterion. This led to the proper reconstruction of the pre-transformation phase orientation data and thus to its micro structure and texture. The computational speed of current method is better compared to the previously used methods of reconstruction. The reconstruction of austenite from ԑ and α’ martensite was carried out for multiple samples and their IPF images, pole figures, inverse pole figures and ODFs were compared. Similar type of results was observed for all samples. The comparison gives the idea for estimating the correct sequence of the transformation i.e. γ → ε → α’ or γ → α’, during deformation of AISI 304 austenitic stainless steel.

Keywords: variant selection, reconstruction, EBSD, austenitic stainless steel, martensitic transformation

Procedia PDF Downloads 475
5641 Influence of Confinement on Phase Behavior in Unconventional Gas Condensate Reservoirs

Authors: Szymon Kuczynski

Abstract:

Poland is characterized by the presence of numerous sedimentary basins and hydrocarbon provinces. Since 2006 exploration for hydrocarbons in Poland become gradually more focus on new unconventional targets, particularly on the shale gas potential of the Upper Ordovician and Lower Silurian in the Baltic-Podlasie-Lublin Basin. The first forecast prepared by US Energy Information Administration in 2011 indicated to 5.3 Tcm of natural gas. In 2012, Polish Geological Institute presented its own forecast which estimated maximum reserves on 1.92 Tcm. The difference in the estimates was caused by problems with calculations of the initial amount of adsorbed, as well as free, gas trapped in shale rocks (GIIP - Gas Initially in Place). This value is dependent from sorption capacity, gas saturation and mutual interactions between gas, water, and rock. Determination of the reservoir type in the initial exploration phase brings essential knowledge, which has an impact on decisions related to the production. The study of porosity impact for phase envelope shift eliminates errors and improves production profitability. Confinement phenomenon affects flow characteristics, fluid properties, and phase equilibrium. The thermodynamic behavior of confined fluids in porous media is subject to the basic considerations for industrial applications such as hydrocarbons production. In particular the knowledge of the phase equilibrium and the critical properties of the contained fluid is essential for the design and optimization of such process. In pores with a small diameter (nanopores), the effect of the wall interaction with the fluid particles becomes significant and occurs in shale formations. Nano pore size is similar to the fluid particles’ diameter and the area of particles which flow without interaction with pore wall is almost equal to the area where this phenomenon occurs. The molecular simulation studies have shown an effect of confinement to the pseudo critical properties. Therefore, the critical parameters pressure and temperature and the flow characteristics of hydrocarbons in terms of nano-scale are under the strong influence of fluid particles with the pore wall. It can be concluded that the impact of a single pore size is crucial when it comes to the nanoscale because there is possible the above-described effect. Nano- porosity makes it difficult to predict the flow of reservoir fluid. Research are conducted to explain the mechanisms of fluid flow in the nanopores and gas extraction from porous media by desorption.

Keywords: adsorption, capillary condensation, phase envelope, nanopores, unconventional natural gas

Procedia PDF Downloads 322
5640 Spatiotemporal Variation Characteristics of Soil pH around the Balikesir City, Turkey

Authors: Çağan Alevkayali, Şermin Tağil

Abstract:

Determination of soil pH surface distribution in urban areas is substantial for sustainable development. Changes on soil properties occur due to functions on performed in agriculture, industry and other urban functions. Soil pH is important to effect on soil productivity which based on sensitive and complex relation between plant and soil. Furthermore, the spatial variability of soil reaction is necessary to measure the effects of urbanization. The objective of this study was to explore the spatial variation of soil pH quality and the influence factors of human land use on soil Ph around Balikesir City using data for 2015 and Geographic Information Systems (GIS). For this, soil samples were taken from 40 different locations, and collected with the method of "Systematic Random" from the pits at 0-20 cm depths, because anthropologic sourced pollutants accumulate on upper layers of soil. The study area was divided into a grid system with 750 x 750 m. GPS was used to determine sampling locations, and Inverse Distance Weighting (IDW) interpolation technique was used to analyze the spatial distribution of pH in the study area and to predict the variable values of un-exampled places with the help from the values of exampled places. Natural soil acidity and alkalinity depend on interaction between climate, vegetation, and soil geological properties. However, analyzing soil pH is important to indirectly evaluate soil pollution caused by urbanization and industrialization. The result of this study showed that soil pH around the Balikesir City was neutral, in generally, with values were between 6.5 and 7.0. On the other hand, some slight changes were demonstrated around open dump areas and the small industrial sites. The results obtained from this study can be indicator of important soil problems and this data can be used by ecologists, planners and managers to protect soil supplies around the Balikesir City.

Keywords: Balikesir, IDW, GIS, spatial variability, soil pH, urbanization

Procedia PDF Downloads 306
5639 Assessing the Potential of a Waste Material for Cement Replacement and the Effect of Its Fineness in Soft Soil Stabilisation

Authors: Hassnen M. Jafer, W. Atherton, F. Ruddock

Abstract:

This paper represents the results of experimental work to investigate the suitability of a waste material (WM) for soft soil stabilisation. In addition, the effect of particle size distribution (PSD) of the waste material on its performance as a soil stabiliser was investigated. The WM used in this study is produced from the incineration processes in domestic energy power plant and it is available in two different grades of fineness (coarse waste material (CWM) and fine waste material (FWM)). An intermediate plasticity silty clayey soil with medium organic matter content has been used in this study. The suitability of the CWM and FWM to improve the physical and engineering properties of the selected soil was evaluated dependant on the results obtained from the consistency limits, compaction characteristics (optimum moisture content (OMC) and maximum dry density (MDD)); along with the unconfined compressive strength test (UCS). Different percentages of CWM were added to the soft soil (3, 6, 9, 12 and 15%) to produce various admixtures. Then the UCS test was carried out on specimens under different curing periods (zero, 7, 14, and 28 days) to find the optimum percentage of CWM. The optimum and other two percentages (either side of the optimum content) were used for FWM to evaluate the effect of the fineness of the WM on UCS of the stabilised soil. Results indicated that both types of the WM used in this study improved the physical properties of the soft soil where the index of plasticity (IP) was decreased significantly. IP was decreased from 21 to 13.64 and 13.10 with 12% of CWM and 15% of FWM respectively. The results of the unconfined compressive strength test indicated that 12% of CWM was the optimum and this percentage developed the UCS value from 202kPa to 500kPa for 28 days cured samples, which is equal, approximately 2.5 times the UCS value for untreated soil. Moreover, this percentage provided 1.4 times the value of UCS for stabilized soil-CWA by using FWM which recorded just under 700kPa after 28 days curing.

Keywords: soft soil stabilisation, waste materials, fineness, unconfined compressive strength

Procedia PDF Downloads 256
5638 Bis-Azlactone Based Biodegradable Poly(Ester Amide)s: Design, Synthesis and Study

Authors: Kobauri Sophio, Kantaria Tengiz, Tugushi David, Puiggali Jordi, Katsarava Ramaz

Abstract:

Biodegradable biomaterials (BB) are of high interest for numerous applications in modern medicine as resorbable surgical materials and drug delivery systems. This kind of materials can be cleared from the body after the fulfillment of their function that excludes a surgical intervention for their removal. One of the most promising BBare amino acids based biodegradable poly(ester amide)s (PEAs) which are composed of naturally occurring (α-amino acids) and non-toxic building blocks such as fatty diols and dicarboxylic acids. Key bis-nucleophilic monomers for synthesizing the PEAs are diamine-diesters-di-p-toluenesulfonic acid salts of bis-(α-amino acid)-alkylenediesters (TAADs) which form the PEAs after step-growth polymerization (polycondensation) with bis-electrophilic counter-partners - activated diesters of dicarboxylic acids. The PEAs combine all advantages of the 'parent polymers' – polyesters (PEs) and polyamides (PAs): Ability of biodegradation (PEs), a high affinity with tissues and a wide range of desired mechanical properties (PAs). The scopes of applications of thePEAs can substantially be expanded by their functionalization, e.g. through the incorporation of hydrophobic fragments into the polymeric backbones. Hydrophobically modified PEAs can form non-covalent adducts with various compounds that make them attractive as drug carriers. For hydrophobic modification of the PEAs, we selected so-called 'Azlactone Method' based on the application of p-phenylene-bis-oxazolinons (bis-azlactones, BALs) as active bis-electrophilic monomers in step-growth polymerization with TAADs. Interaction of BALs with TAADs resulted in the PEAs with low MWs (Mw2,800-19,600 Da) and poor material properties. The high-molecular-weight PEAs (Mw up to 100,000) with desirable material properties were synthesized after replacement of a part of BALs with activated diester - di-p-nitrophenylsebacate, or a part of TAAD with alkylenediamine – 1,6-hexamethylenediamine. The new hydrophobically modified PEAs were characterized by FTIR, NMR, GPC, and DSC. It was shown that after the hydrophobic modification the PEAs retain the biodegradability (in vitro study catalyzed by α-chymptrypsin and lipase), and are of interest for constructing resorbable surgical and pharmaceutical devices including drug delivering containers such as microspheres. The new PEAs are insoluble in hydrophobic organic solvents such as chloroform or dichloromethane (swell only) that allowed elaborating a new technology of fabricating microspheres.

Keywords: amino acids, biodegradable polymers, bis-azlactones, microspheres

Procedia PDF Downloads 163
5637 Assessment of Functional Properties and Antioxidant Capacity Murta (Ugni molinae T.) Berry Subjected to Different Drying Methods

Authors: Liliana Zura-Brravo, Antonio Vega-Galvez, Roberto Lemus-Mondaca, Jessica Lopez

Abstract:

Murta (Ugni molinae T.) is an endemic fruit of Southern Chile, possesses qualities exceptional as its high antioxidants content, that make it increasingly more appreciated for marketing. Dehydration has the potential providing safe food products through the decreased activity water while maintaining their functional properties. The objective of this study was to evaluate the effect of different drying methods on the antioxidant capacity (AC), total flavonoid content (TFC), rehydration indexes and texture the dried murta berry. Five drying technologies were used: convective drying, vacuum drying, sun-air drying, infrared drying and freezing-drying. The antioxidant capacity was measured by the ORAC method, CFT was determined by spectrophotometry, rehydration capacity (CR) and water retention (WHC) by gravimetry, texture profile (TPA) by a texture analyzer TA-XT2 and microstructure by SEM. The results showed that the lyophilized murta had smaller losses AC and TFC with values of 2886.27 routine mg rutin/ 100 g dm and 23359.99 μmol ET/100 g dm, respectively. According to the rehydration indexes, these were affected by the drying methods, where the maximum value of WHC was 92.60 g retained water/100 g sample for the vacuum drying, and the lowest value of CR was 1.43 g water absorbed/g dm for the sun-air drying. Furthermore, the microstructure and TPA showed that lyophilized samples had characteristics similar to the fresh sample. Therefore, it is possible to mention that lyophilization achieved greater extent preserving the characteristics of the murta samples, showing that this method can be used in the food industry and encourage the consumption of dried fruit and thus give it greater added value.

Keywords: antioxidant, drying method, flavonoid, murta berry, texture

Procedia PDF Downloads 274
5636 A Vehicle Detection and Speed Measurement Algorithm Based on Magnetic Sensors

Authors: Panagiotis Gkekas, Christos Sougles, Dionysios Kehagias, Dimitrios Tzovaras

Abstract:

Cooperative intelligent transport systems (C-ITS) can greatly improve safety and efficiency in road transport by enabling communication, not only between vehicles themselves but also between vehicles and infrastructure. For that reason, traffic surveillance systems on the road are of great importance. This paper focuses on the development of an on-road unit comprising several magnetic sensors for real-time vehicle detection, movement direction, and speed measurement calculations. Magnetic sensors can feel and measure changes in the earth’s magnetic field. Vehicles are composed of many parts with ferromagnetic properties. Depending on sensors’ sensitivity, changes in the earth’s magnetic field caused by passing vehicles can be detected and analyzed in order to extract information on the properties of moving vehicles. In this paper, we present a prototype algorithm for real-time, high-accuracy, vehicle detection, and speed measurement, which can be implemented as a portable, low-cost, and non-invasive to existing infrastructure solution with the potential to replace existing high-cost implementations. The paper describes the algorithm and presents results from its preliminary lab testing in a close to real condition environment. Acknowledgments: Work presented in this paper was co-financed by the European Regional Development Fund of the European Union and Greek national funds through the Operational Program Competitiveness, Entrepreneurship, and Innovation (call RESEARCH–CREATE–INNOVATE) under contract no. Τ1EDK-03081 (project ODOS2020).

Keywords: magnetic sensors, vehicle detection, speed measurement, traffic surveillance system

Procedia PDF Downloads 104
5635 Metallic Coating for Carbon Fiber Reinforced Polymer Matrix Composite Substrate

Authors: Amine Rezzoug, Said Abdi, Nadjet Bouhelal, Ismail Daoud

Abstract:

This paper investigates the application of metallic coatings on high fiber volume fraction carbon/epoxy polymer matrix composites. For the grip of the metallic layer, a method of modifying the surface of the composite by introducing a mixture of copper and steel powder (filler powders) which can reduce the impact of thermal spray particles. The powder was introduced to the surface at the time of the forming. Arc spray was used to project the zinc coating layer. The substrate was grit blasted to avoid poor adherence. The porosity, microstructure, and morphology of layers are characterized by optical microscopy, SEM and image analysis. The samples were studied also in terms of hardness and erosion resistance. This investigation did not reveal any visible evidence damage to the substrates. The hardness of zinc layer was about 25.94 MPa and the porosity was around (∼6.70%). The erosion test showed that the zinc coating improves the resistance to erosion. Based on the results obtained, we can conclude that thermal spraying allows the production of protective coating on PMC. Zinc coating has been identified as a compatible material with the substrate. The filler powders layer protects the substrate from the impact of hot particles and allows avoiding the rupture of brittle carbon fibers.

Keywords: arc spray, coating, composite, erosion

Procedia PDF Downloads 431
5634 Development of the New York Misophonia Scale: Implications for Diagnostic Criteria

Authors: Usha Barahmand, Maria Stalias, Abdul Haq, Esther Rotlevi, Ying Xiang

Abstract:

Misophonia is a condition in which specific repetitive oral, nasal, or other sounds and movements made by humans trigger impulsive aversive reactions of irritation or disgust that instantly become anger. A few measures exist for the assessment of misophonia, but each has some limitations, and evidence for a formal diagnosis is still lacking. The objective of this study was to develop a reliable and valid measure of misophonia for use in the general population. Adopting a purely descriptive approach, this study focused on developing a self-report measure using all triggers and reactions identified in previous studies on misophonia. A measure with two subscales, one assessing the aversive quality of various triggers and the other assessing reactions of individuals, was developed. Data were gathered from a large sample of both men and women ranging in age from 18 to 65 years. Exploratory factor analysis revealed three main triggers: oral/nasal sounds, hand and leg movements, and environmental sounds. Two clusters of reactions also emerged: nonangry attempts to avoid the impact of the aversive stimuli and angry attempts to stop the aversive stimuli. The examination of the psychometric properties of the scale revealed its internal consistency and test-retest reliability to be excellent. The scale was also found to have very good concurrent and convergent validity. Significant annoyance and disgust in response to the triggers were reported by 12% of the sample, although for some specific triggers, rates as high as 31% were also reported. These findings have implications for the delineation of the criteria for identifying misophonia as a clinical condition.

Keywords: adults, factor analysis, misophonia, psychometric properties, scale

Procedia PDF Downloads 176
5633 Fuzzy Implicative Pseudo-Ideals of Pesudo-BCK Algebras

Authors: Alireza Gilani

Abstract:

In this paper, we consider the fuzzification of implicative pseudo-ideal in a pseudo-BCK algebra, and then we investigate some of their properties. We prove that the family of fuzzy implicative pseudo-ideal is completely distributive lattice.

Keywords: BCK-algebra, pseudo-BCK algebra, pseudo-ideal, implicative pseudo-ideal

Procedia PDF Downloads 358
5632 Microstructure Analysis and Multiple Photoluminescence in High Temperature Electronic Conducting InZrZnO Thin Films

Authors: P. Jayaram, Prasoon Prasannan, N. K. Deepak, P. P. Pradyumnan

Abstract:

Indium and Zirconium co doped zinc oxide (InZrZnO) thin films are prepared by chemical spray pyrolysis method on pre-heated quartz substrates. The films are subjected to vacuum annealing at 400ᵒC for three hours in an appropriate air (10-5mbar) ambience after deposition. X-ray diffraction, Scanning electron microscopy, energy dispersive spectra and photoluminescence are used to characterize the films. Temperature dependent electrical measurements are conducted on the films and the films exhibit exceptional conductivity at higher temperatures. XRD analysis shows that all the films prepared in this work have hexagonal wurtzite structure. The average crystallite sizes of the films were calculated using Scherrer’s formula, and uniform deformation model (UDM) of Williamson-Hall method is used to establish the micro-strain values. The dislocation density is determined from the Williamson and Smallman’s formula. Intense, broad and strongly coupled multiple photoluminescence were observed from photoluminescence spectra. PL indicated relatively high concentration defective oxygen and Zn vacancies in the film composition. Strongly coupled ultraviolet near blue emissions authenticate that the dopants are capable of inducing modulated free excitonic (FX), donor accepter pair (DAP) and longitudinal optical phonon emissions in thin films.

Keywords: PL, SEM, TCOs, thin films, XRD

Procedia PDF Downloads 218
5631 Analysis and Study of Growth Rates of Indigenous Phytoplankton in Enriched Spent Oil Impacted Ecosystems in South Western Nigeria Coastal Waters

Authors: Lauretta Ighedo, Bukola Okunade, Monisade Okunade

Abstract:

In order to determine the effect of spent oil on the growth rates of indigenous phytoplankton in an aquaculture pond, a study was carried out on varying concentrations of samples using the bioassay procedure for a period of 14 days. Four divisions Cyanophyta, Chlorophyta, Euglenophyta and Bacillariophyta were observed in the water samples collected from the Aquaculture pond. The growth response was measured using a microprocessor photocolorimeter at optical density of 680nm. A general assessment of spent oil contaminated samples showed either a sharp rise or fall in growth rate from day 0 to day 2 followed by increased growth response for most higher concentration of pollutants up to Day 8, then fluctuations in the growth response pattern for the other days. There was no marked significant difference in the growth response of phytoplankton in the spent oil impacted water samples. The lowest and highest phytoplankton abundance was recorded in 10/90ml and 2.5/97.5ml spent oil impacted water sample respectively. Oscillatoria limosa, Chlorella sp., Microcystis aeruginosa, Nitzschia sp. and Navicula sp. showed high tolerance to oil pollution and these species used as bioindicators of an organic polluted environment increased abundantly and can therefore be employed in the cleanup and bioremediation process of an oil polluted freshwater body.

Keywords: phytoplankton, pollution, species abundance, environmental characteristics

Procedia PDF Downloads 353
5630 Free Radical Scavenging, Antioxidant Activity, Phenolic, Alkaloids Contents and Inhibited Properties against α-Amylase and Invertase Enzymes of Stem Bark Extracts Coula edulis B

Authors: Eric Beyegue, Boris Azantza, Judith Laure Ngondi, Julius E. Oben

Abstract:

Background: It is clearly that phytochemical constituents of plants in relation exhibit free radical scavenging, antioxidant and glycosylation properties. This study investigated the in vitro antioxidant and free radical scavenging, inhibited activities against α-amylase and invertase enzymes of stem bark extracts C. edulis (Olacaceae). Methods: Four extracts (hexane, dichloromethane, ethanol and aqueous) from the barks of C. edulis were used in this study. Colorimetric in vitro methods were using for evaluate free radical scavenging activity DPPH, ABTS, NO, OH, antioxidant capacity, glycosylation activity, inhibition of α-amylase and invertase activities, phenolic, flavonoid and alkaloid contents. Results: C. edulis extracts (CEE) had a higher scavenging potential on the 2, 2-diphenyl-1-picrylhydrazyl (DPPH), hydroxyl (OH), nitrite oxide (NO), 2, 2-azinobis (3-ethylbenzthiazoline)-6-sulfonic acid (ABTS) radicals and glucose scavenging with the IC50 varied between 41.95 and 36694.43 µg/ml depending on the solvent of extraction. The ethanol extract of C. edulis stem bark (CE EtOH) showed the highest polyphenolic (289.10 + 30.32), flavonoid (1.12 + 0.09) and alkaloids (18.47 + 0.16) content. All the tested extracts demonstrated a relative high inhibition potential against α-amylase and invertase digestive enzymes activities. Conclusion: This study suggests that CEE exhibited higher antioxidant potential and significant inhibition potential against digestive enzymes.

Keywords: Coula edulis, antioxidant, scavenging activity, amylase, invertase

Procedia PDF Downloads 328
5629 Screening of Potential Cytotoxic Activities of Some Medicinal Plants of Saudi Arabia

Authors: Syed Farooq Adil, Merajuddinkhan, Mujeeb Khan, Hamad Z. Alkhathlan

Abstract:

Phytochemicals from plant extracts belong to an important source of natural products which have demonstrated excellent cytotoxic activities. However, plants of different origins exhibit diverse chemical compositions and bioactivities. Therefore, the discovery of plants based new anticancer agents from different parts of the world is always challenging. In this study, methanolic extracts of different parts of 11 plants from Saudi Arabia have been tested in vitro for their anticancer potential on human liver cancer cell line (HepG2). Particularly, for this study, plants from Asteraceae, Resedaceae, and Polygonaceae families were chosen on the basis of locally available ethnobotanical data and their medicinal properties. Among 12 tested extract samples, three samples obtained from Artemisia monosperma stem, Ochradenus baccatus aerial parts, and Pulicaria glutinosa stem have demonstrated interesting cytotoxic activities with a cell viability of 29.3%, 28.4% and 24.2%, respectively. Whereas, four plant extracts including Calendula arvensis aerial parts, Scorzonera musilii whole plant, A. monosperma leaves show moderate anticancer properties bearing a cell viability ranging from 11.9 to 16.7%. The remaining extracts have shown poor cytotoxic activities. Subsequently, GC-MS analysis of methanolic extracts of the four most active plants extracts such as C. comosum, O. baccatus, P. glutinosa and A. monosperma detected the presence of 41 phytomolecules. Among which 3-(4-hydroxyphenyl) propionitrile (1), 8,11-octadecadiynoic acid methyl ester (2), 6,7-dimethoxycoumarin (3), and 1-(2-hydroxyphenyl) ethenone (4) were found to be the lead compounds of C. comosum, O. baccatus P. glutinosa and A. monosperma, respectively.

Keywords: medicinal plants, asteraceae, polygonaceae, hepg2

Procedia PDF Downloads 110
5628 Comparative Study of Wear and Friction Behavior of Tricalcium Phosphate-Fluorapatite Bioceramic

Authors: Rym Taktak, Achwek Elghazel, Jamel Bouaziz

Abstract:

In the present work, we explored the potential of tribological behavior of tricalcium phosphate-Fluorapatite (β Tcp-Fap) bioceramic which has attracted considerable attention for orthopedics and dental applications. The approximate representatives Fap-βTcp were respectively [{13.26 wt%, 86.74 wt%} {19.9 wt%, 80.1 wt%},{ 26.52 wt%, 73.48 wt%}, {33.16 wt%, 66.84 wt%} and {40 wt%, 60 wt%}. The effects of Fluorapatite additives on friction and wear behavior were studied and discussed. The wear test was conducted using pion-disk tribometer at room temperature under dry condition using a constant sliding speed of 0,063 m/s, and three loads 3, 5 and 8 N. The wear rate and friction coefficient of β Tcp with different additive amounts were compared. An Alumina ball specimens were used as the pin and flat surface β Tcp-Fap specimens as the antagonist counterface. The results show a huge difference between the wear rate of β TCP samples and the other β TCP-Fap composites for all normal forces applied. This result shows the beneficial effect of fluorapatite on the tribological behavior of the β TCP. Moreover, we note that β Tcp-26% Fap specimens exhibit, under dry condition, the lower friction coefficient and the smaller wear rate than other biocomposites. Thereby, the friction and wear behavior is influenced by the addition of fluorapatite, the applied normal force, and the sliding velocity. To extend the understanding of the wear process, the surface topography of β Tcp-26% Fap specimens and the wear track obtained during the wear tests were studied using a surface profilometer, optical microscopy, and scanning electron microscopy.

Keywords: alumina, bioceramic, friction and wear test, tricalcium phosphate

Procedia PDF Downloads 219
5627 A Comparative Time-Series Analysis and Deep Learning Projection of Innate Radon Gas Risk in Canadian and Swedish Residential Buildings

Authors: Selim M. Khan, Dustin D. Pearson, Tryggve Rönnqvist, Markus E. Nielsen, Joshua M. Taron, Aaron A. Goodarzi

Abstract:

Accumulation of radioactive radon gas in indoor air poses a serious risk to human health by increasing the lifetime risk of lung cancer and is classified by IARC as a category one carcinogen. Radon exposure risks are a function of geologic, geographic, design, and human behavioural variables and can change over time. Using time series and deep machine learning modelling, we analyzed long-term radon test outcomes as a function of building metrics from 25,489 Canadian and 38,596 Swedish residential properties constructed between 1945 to 2020. While Canadian and Swedish properties built between 1970 and 1980 are comparable (96–103 Bq/m³), innate radon risks subsequently diverge, rising in Canada and falling in Sweden such that 21st Century Canadian houses show 467% greater average radon (131 Bq/m³) relative to Swedish equivalents (28 Bq/m³). These trends are consistent across housing types and regions within each country. The introduction of energy efficiency measures within Canadian and Swedish building codes coincided with opposing radon level trajectories in each nation. Deep machine learning modelling predicts that, without intervention, average Canadian residential radon levels will increase to 176 Bq/m³ by 2050, emphasizing the importance and urgency of future building code intervention to achieve systemic radon reduction in Canada.

Keywords: radon health risk, time-series, deep machine learning, lung cancer, Canada, Sweden

Procedia PDF Downloads 66
5626 Saponins vs Anthraquinones: Different Chemicals, Similar Ecological Roles in Marine Symbioses

Authors: Guillaume Caulier, Lola Brasseur, Patrick Flammang, Pascal Gerbaux, Igor Eeckhaut

Abstract:

Saponins and quinones are two major groups of secondary metabolites widely distributed in the biosphere. More specifically, triterpenoid saponins and anthraquinones are mainly found in a wide variety of plants, bacteria and fungi. In the animal kingdom, these natural organic compounds are rare and only found in small quantities in arthropods, marine sponges and echinoderms. In this last group, triterpenoid saponins are specific to holothuroids (sea cucumbers) while anthraquinones are the chemical signature of crinoids (feather stars). Depending on the species, they present different molecular cocktails. Despite presenting different chemical properties, these molecules share numerous similarities. This study compares the biological distribution, the pharmacological effects and the ecological roles of holothuroid saponins and crinoid anthraquinones. Both of them have been defined as allomones repelling predators and parasites (i.e. chemical defense) and have interesting pharmacological properties (e.g. anti-bacterial, anti-fungal, anti-cancer). Our study investigates the chemical ecology of two symbiotic associations models; between the snapping shrimp Synalpheus stimpsonii associated with crinoids and the Harlequin crab Lissocarcinus orbicularis associated with holothuroids. Using behavioral experiments in olfactometers, chemical extractions and mass spectrometry analyses, we discovered that saponins and anthraquinones present a second ecological role: the attraction of obligatory symbionts towards their hosts. They can, therefore, be defined as kairomones. This highlights a new paradigm in marine chemical ecology: Chemical repellents are attractants to obligatory symbionts because they constitute host specific chemical signatures.

Keywords: anthraquinones, kairomones, marine symbiosis, saponins, attractant

Procedia PDF Downloads 180
5625 Quantum Chemical Prediction of Standard Formation Enthalpies of Uranyl Nitrates and Its Degradation Products

Authors: Mohamad Saab, Florent Real, Francois Virot, Laurent Cantrel, Valerie Vallet

Abstract:

All spent nuclear fuel reprocessing plants use the PUREX process (Plutonium Uranium Refining by Extraction), which is a liquid-liquid extraction method. The organic extracting solvent is a mixture of tri-n-butyl phosphate (TBP) and hydrocarbon solvent such as hydrogenated tetra-propylene (TPH). By chemical complexation, uranium and plutonium (from spent fuel dissolved in nitric acid solution), are separated from fission products and minor actinides. During a normal extraction operation, uranium is extracted in the organic phase as the UO₂(NO₃)₂(TBP)₂ complex. The TBP solvent can form an explosive mixture called red oil when it comes in contact with nitric acid. The formation of this unstable organic phase originates from the reaction between TBP and its degradation products on the one hand, and nitric acid, its derivatives and heavy metal nitrate complexes on the other hand. The decomposition of the red oil can lead to violent explosive thermal runaway. These hazards are at the origin of several accidents such as the two in the United States in 1953 and 1975 (Savannah River) and, more recently, the one in Russia in 1993 (Tomsk). This raises the question of the exothermicity of reactions that involve TBP and all other degradation products, and calls for a better knowledge of the underlying chemical phenomena. A simulation tool (Alambic) is currently being developed at IRSN that integrates thermal and kinetic functions related to the deterioration of uranyl nitrates in organic and aqueous phases, but not of the n-butyl phosphate. To include them in the modeling scheme, there is an urgent need to obtain the thermodynamic and kinetic functions governing the deterioration processes in liquid phase. However, little is known about the thermodynamic properties, like standard enthalpies of formation, of the n-butyl phosphate molecules and of the UO₂(NO₃)₂(TBP)₂ UO₂(NO₃)₂(HDBP)(TBP) and UO₂(NO₃)₂(HDBP)₂ complexes. In this work, we propose to estimate the thermodynamic properties with Quantum Methods (QM). Thus, in the first part of our project, we focused on the mono, di, and tri-butyl complexes. Quantum chemical calculations have been performed to study several reactions leading to the formation of mono-(H₂MBP), di-(HDBP), and TBP in gas and liquid phases. In the gas phase, the optimal structures of all species were optimized using the B3LYP density functional. Triple-ζ def2-TZVP basis sets were used for all atoms. All geometries were optimized in the gas-phase, and the corresponding harmonic frequencies were used without scaling to compute the vibrational partition functions at 298.15 K and 0.1 Mpa. Accurate single point energies were calculated using the efficient localized LCCSD(T) method to the complete basis set limit. Whenever species in the liquid phase are considered, solvent effects are included with the COSMO-RS continuum model. The standard enthalpies of formation of TBP, HDBP, and H2MBP are finally predicted with an uncertainty of about 15 kJ mol⁻¹. In the second part of this project, we have investigated the fundamental properties of three organic species that mostly contribute to the thermal runaway: UO₂(NO₃)₂(TBP)₂, UO₂(NO₃)₂(HDBP)(TBP), and UO₂(NO₃)₂(HDBP)₂ using the same quantum chemical methods that were used for TBP and its derivatives in both the gas and the liquid phase. We will discuss the structures and thermodynamic properties of all these species.

Keywords: PUREX process, red oils, quantum chemical methods, hydrolysis

Procedia PDF Downloads 172