Search results for: low salt water injection
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9566

Search results for: low salt water injection

5246 Photocatalytic Degradation of Naproxen in Water under Solar Irradiation over NiFe₂O₄ Nanoparticle System

Authors: H. Boucheloukh, S. Rouissa, N. Aoun, M. Beloucifa, T. Sehili, F. Parrino, V. Loddo

Abstract:

To optimize water purification and wastewater treatment by heterogeneous photocatalysis, we used NiFe₂O₄ as a catalyst and solar irradiation as a source of energy. In this concept, an organic substance present in many industrial effluents was chosen: naproxen ((S)-6-methoxy-α-methyl-2-naphthaleneacetic acid or 2-(6-methoxynaphthalenyl) propanoic), a non-steroidal anti-inflammatory drug. The main objective of this study is to degrade naproxen by an iron and nickel catalyst, the degradation of this organic pollutant by nickel ferrite has been studied in a heterogeneous aqueous medium, with the study of the various factors influencing photocatalysis such as the concentration of matter and the acidity of the medium. The photocatalytic activity was followed by HPLC-UV andUV-Vis spectroscopy. A first-order kinetic model appropriately fitted the experimental data. The degradation of naproxen was also studied in the presence of H₂O₂ as well as in an aqueous solution. The new hetero-system NiFe₂O₄/oxalic acid is also discussed. The fastest naproxen degradation was obtained with NiFe₂O₄/H₂O₂. In a first-place, we detailed the characteristics of the material NiFe₂O₄, which was synthesized by the sol-gel methods, using various analytical techniques: visible UV spectrophotometry, X-ray diffraction, FTIR, cyclic voltammetry, luminescent discharge optical emission spectroscopy.

Keywords: naproxen, nickelate, photocatalysis, oxalic acid

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5245 Evaluation of Coastal Erosion in the Jurisdiction of the Municipalities of Puerto Colombia and Tubará, Atlántico – Colombia in Google Earth Engine with Landsat and Sentinel 2 Images

Authors: Francisco Reyes, Hector Ramirez

Abstract:

In the coastal zones are home to mangrove swamps, coral reefs, and seagrass ecosystems, which are the most biodiverse and fragile on the planet. These areas support a great diversity of marine life; they are also extraordinarily important for humans in the provision of food, water, wood, and other associated goods and services; they also contribute to climate regulation. The lack of an automated model that generates information on the dynamics of changes in coastlines and coastal erosion is identified as a central problem. Coastlines were determined from 1984 to 2020 on the Google Earth platform Engine from Landsat and Sentinel images, using the Normalized Differential Water Index (MNDWI) and Digital Shoreline Analysis System (DSAS) v5.0. Starting from the 2020 coastline, the 10-year prediction (Year 2031) was determined with the erosion of 238.32 hectares and an accretion of 181.96 hectares, while the 20-year prediction (Year 2041) will be presented an erosion of 544.04 hectares and an accretion of 133.94 hectares. The erosion and accretion of Playa Muelle in the municipality of Puerto Colombia were established, which will register the highest value of erosion. The coverage that presented the greatest change was that of artificialized Territories.

Keywords: coastline, coastal erosion, MNDWI, Google Earth Engine, Colombia

Procedia PDF Downloads 101
5244 Improvement of Mechanical Properties of Saline Soils by Fly Ash: Effect of Freeze-Thaw Cycles

Authors: Zhuo Cheng, Gaohang Cui, Yang Zheng, Zhiqiang-Pan

Abstract:

To explore the effect of freeze-thaw cycles on saline soil mechanical properties of fly ash, this study examined the influence of different numbers of freezing and thawing cycles, fly ash content, and moisture content of saline soil in unconfined compression tests and triaxial shear tests. With increased fly ash content, the internal friction angle, cohesion, unconfined compressive strength, and shear strength of the improved soil increased at first and then decreased. Using the Desk-Expert 8.0 software and based on significance analysis theory, the number of freeze-thaw cycles, fly ash content, water content, and the interactions between various factors on the mechanical properties of saline soil were studied. The results showed that the number of freeze-thaw cycles had a significant effect on the mechanical properties of saline soil, while the fly ash content had a weakly significant effect. At the same time, interaction between the number of freeze-thaw cycles and the water content had a significant effect on the unconfined compressive strength and the cohesion of saline soil, and the interaction between fly ash content and the number of freeze-thaw cycles only had a significant effect on the unconfined compressive strength.

Keywords: fly ash, saline soil, seasonally frozen area, significance analysis, qualitative analysis

Procedia PDF Downloads 130
5243 Bio-Heat Transfer in Various Transcutaneous Stimulation Models

Authors: Trevor E. Davis, Isaac Cassar, Yi-Kai Lo, Wentai Liu

Abstract:

This study models the use of transcutaneous electrical nerve stimulation on skin with a disk electrode in order to simulate tissue damage. The current density distribution above a disk electrode is known to be a dynamic and non-uniform quantity that is intensified at the edges of the disk. The non-uniformity is subject to change through using various electrode geometries or stimulation methods. One of these methods known as edge-retarded stimulation has shown to reduce this edge enhancement. Though progress has been made in modeling the behavior of a disk electrode, little has been done to test the validity of these models in simulating the actual heat transfer from the electrode. This simulation uses finite element software to couple the injection of current from a disk electrode to heat transfer described by the Pennesbioheat transfer equation. An example application of this model is studying an experimental form of stimulation, known as edge-retarded stimulation. The edge-retarded stimulation method will reduce the current density at the edges of the electrode. It is hypothesized that reducing the current density edge enhancement effect will, in turn, reduce temperature change and tissue damage at the edges of these electrodes. This study tests this hypothesis as a demonstration of the capabilities of this model. The edge-retarded stimulation proved to be safer after this simulation. It is shown that temperature change and the fraction of tissue necrosis is much greater in the square wave stimulation. These results bring implications for changes of procedures in transcutaneous electrical nerve stimulation and transcutaneous spinal cord stimulation as well.

Keywords: bioheat transfer, electrode, neuroprosthetics, TENS, transcutaneous stimulation

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5242 The Effectiveness of Sulfate Reducing Bacteria in Minimizing Methane and Sludge Production from Palm Oil Mill Effluent (POME)

Authors: K. Abdul Halim, E. L. Yong

Abstract:

Palm oil industry is a major revenue earner in Malaysia, despite the growth of the industry is synonymous with a massive production of agro-industrial wastewater. Through the oil extraction processes, palm oil mill effluent (POME) contributes to the largest liquid wastes generated. Due to the high amount of organic compound, POME can cause inland water pollution if discharged untreated into the water course as well as affect the aquatic ecosystem. For more than 20 years, Malaysia adopted the conventional biological treatment known as lagoon system that apply biological treatment. Besides having difficulties in complying with the standard, a large build up area is needed and retention time is higher. Although anaerobic digester is more favorable, this process comes along with enormous volumes of sludge and methane gas, demanding attention from the mill operators. In order to reduce the sludge production, denitrifiers are to be removed first. Sulfate reducing bacteria has shown the capability to inhibit the growth of methanogens. This is expected to substantially reduce both the sludge and methane production in anaerobic digesters. In this paper, the effectiveness of sulfate reducing bacteria in minimizing sludge and methane will be examined.

Keywords: methane reduction, palm oil mill effluent, sludge minimization, sulfate reducing bacteria, sulfate reduction

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5241 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 103
5240 The Effects of Different Parameters of Wood Floating Debris on Scour Rate Around Bridge Piers

Authors: Muhanad Al-Jubouri

Abstract:

A local scour is the most important of the several scours impacting bridge performance and security. Even though scour is widespread in bridges, especially during flood seasons, the experimental tests could not be applied to many standard highway bridges. A computational fluid dynamics numerical model was used to solve the problem of calculating local scouring and deposition for non-cohesive silt and clear water conditions near single and double cylindrical piers with the effect of floating debris. When FLOW-3D software is employed with the Rang turbulence model, the Nilsson bed-load transfer equation and fine mesh size are considered. The numerical findings of single cylindrical piers correspond pretty well with the physical model's results. Furthermore, after parameter effectiveness investigates the range of outcomes based on predicted user inputs such as the bed-load equation, mesh cell size, and turbulence model, the final numerical predictions are compared to experimental data. When the findings are compared, the error rate for the deepest point of the scour is equivalent to 3.8% for the single pier example.

Keywords: local scouring, non-cohesive, clear water, computational fluid dynamics, turbulence model, bed-load equation, debris

Procedia PDF Downloads 55
5239 The Influence of Dietary Components on Acne; A Case-Control Survey

Authors: Atiya Mahmood, Mubasharah Hanif, Ghazala Butt, Mehwish Zahoor Ahmed

Abstract:

Acne vulgaris affects millions of adults.Despite extensive research, its food related etiology remains elusive. Objective:To assess the correlation between dietary intake and acne through a case-control survey of 300,15-25 year old respondents living in Pakistan. 50 acne patients and 150 age-and ethnicity-matched controls completed a questionnaire.Cases and controls were separated using SPSS-22 and univariate analysis was performed using the chi-square test. p value < 0.05 was considered statistically significant. We used adjusted odds ratios to assess the strength of associations with 95% confidence intervals. Most of the respondents were females(91.3%).Most(48.7%)acne patients were 20-25 yearsold.Acne severity was mild in 50%,moderate in 34%,severe in14%and very severe in 2%.Frequent low-fat foods(p<0.001)(OR=3.22),fat intake(p=0.03)(OR = 1.629),sweet snacks i.e. biscuits and candies etc. (p=0.013) (OR=1.9254), soft drinks(p= 0.045)(OR= 1.9091),butter(p<0.001) (OR= 1.8185),dairy products(p=0.043)(OR=0.624),salty foods(p= 0.011)(OR=1.961),chocolate (p=0.028)(OR=1.669), were associated with increased acne risk.No association was found with consumption of fried foods, desserts, fruit juices, raw fruit, fast food, vegetables, cheese, soy products, salt, and corn. Increased butter and chocolate consumption were linked to more severe forms of acne(p=0.049 and p=0.005 respectively).Most respondents (n=218) considered themselves to have healthy eating habits, indicating they were not educated about the nutritional aspects of acne treatment.Certain food item intake was significantly higher in acne patients to give an association between the two. Further studies must be conducted to develop a causative relationship. Nutrition aawareness is critical to reduce acne.

Keywords: correlation between dietary components and acne, dietary components, acne, nutrition

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5238 The Impact of a Sustainable Solar System on the Growth of Strawberry Plants in an Agricultural Greenhouse

Authors: Ilham Ihoume, Rachid Tadili, Nora Arbaoui

Abstract:

This study examines the effects of a solar-based heating system, in a north-‎south oriented agricultural greenhouse on the development of strawberry ‎plants during winter. This system relies on the circulation of water as a heat ‎transfer fluid in a closed circuit installed on the greenhouse roof to store heat ‎during the day and release it inside at night. A comparative experimental ‎study was conducted in two greenhouses, one experimental with the solar ‎heating system and the other for control without any heating system. Both ‎greenhouses are located on the terrace of the Solar Energy and Environment ‎Laboratory of the Mohammed V University in Rabat, Morocco. The devel-‎oped heating system consists of a copper coil inserted in double glazing and ‎placed on the roof of the greenhouse, a water pump circulator, a battery, and ‎a photovoltaic solar panel to power the electrical components. This inexpen-‎sive and environmentally friendly system allows the greenhouse to be heated ‎during the winter and improves its microclimate system. This improvement ‎resulted in an increase in the air temperature inside the experimental green-‎house by 6 °C and 8 °C, and a reduction in its relative humidity by 23% and ‎‎35% compared to the control greenhouse and the ambient air, respectively, ‎throughout the winter. For the agronomic performance, it was observed that ‎the production was 17 days earlier than in the control greenhouse.‎

Keywords: sustainability, solar energy, thermal energy storage.‎, greenhouse heating

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5237 Life Cycle Assessment of Biogas Energy Production from a Small-Scale Wastewater Treatment Plant in Central Mexico

Authors: Joel Bonales, Venecia Solorzano, Carlos Garcia

Abstract:

A great percentage of the wastewater generated in developing countries don’t receive any treatment, which leads to numerous environmental impacts. In response to this, a paradigm change in the current wastewater treatment model based on large scale plants towards a small and medium scale based model has been proposed. Nevertheless, small scale wastewater treatment (SS-WTTP) with novel technologies such as anaerobic digesters, as well as the utilization of derivative co-products such as biogas, still presents diverse environmental impacts which must be assessed. This study consisted in a Life Cycle Assessment (LCA) performed to a SS-WWTP which treats wastewater from a small commercial block in the city of Morelia, Mexico. The treatment performed in the SS-WWTP consists in anaerobic and aerobic digesters with a daily capacity of 5,040 L. Two different scenarios were analyzed: the current plant conditions and a hypothetical energy use of biogas obtained in situ. Furthermore, two different allocation criteria were applied: full impact allocation to the system’s main product (treated water) and substitution credits for replacing Mexican grid electricity (biogas) and clean water pumping (treated water). The results showed that the analyzed plant had bigger impacts than what has been reported in the bibliography in the basis of wastewater volume treated, which may imply that this plant is currently operating inefficiently. The evaluated impacts appeared to be focused in the aerobic digestion and electric generation phases due to the plant’s particular configuration. Additional findings prove that the allocation criteria applied is crucial for the interpretation of impacts and that that the energy use of the biogas obtained in this plant can help mitigate associated climate change impacts. It is concluded that SS-WTTP is a environmentally sound alternative for wastewater treatment from a systemic perspective. However, this type of studies must be careful in the selection of the allocation criteria and replaced products, since these factors have a great influence in the results of the assessment.

Keywords: biogas, life cycle assessment, small scale treatment, wastewater treatment

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5236 Scope of Public Policies in Promoting Resource-Recovery Sanitation Systems to Answer the Open Defecation Challenges of Indian Cities: Case of Ahmedabad

Authors: Isalyne Gennaro

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The lack of access to basic sanitation services and improper water infrastructure pollute the environment and expose people to water-borne diseases. In 2014, to address these concerns, the central government of India launched five-years urban development and sanitation programs. The national vision seemed to encourage the use of technologies which recycle and reuse wastewater for achieving open defecation free cities. As we approach 2019, it is time to reflect on these objectives. This research critically looked at the actual scope and limitations of policies and regulations to promote resource-recovery sanitation systems. This study was based on the case of the fast-growing city of Ahmedabad, Gujarat. The analysis examined the actions and priorities, financial and institutional arrangements and technologies promoted at the national, sub-national and local levels. The research work concluded that a paradigm shift is required, from providing infrastructures in a supply-driven manner to creating inclusive planning framework which focuses on local challenges and generates a demand-responsiveness from the potential users targeted.

Keywords: India, public policy, resource-recovery, urban sanitation

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5235 Formulation, Evaluation and Statistical Optimization of Transdermal Niosomal Gel of Atenolol

Authors: Lakshmi Sirisha Kotikalapudi

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Atenolol, the widely used antihypertensive drug is ionisable and degrades in the acidic environment of the GIT lessening the bioavailability. Transdermal route may be selected as an alternative to enhance the bioavailability. Half-life of the drug is 6-7 hours suggesting the requirement of prolonged release of the drug. The present work of transdermal niosomal gel aims to extend release of the drug and increase the bioavailability. Ethanol injection method was used for the preparation of niosomes using span-60 and cholesterol at different molar ratios following central composite design. The prepared niosomes were characterized for size, zeta-potential, entrapment efficiency, drug content and in-vitro drug release. Optimized formulation was selected by statistically analyzing the results obtained using the software Stat-Ease Design Expert. The optimized formulation also showed high drug retention inside the vesicles over a period of three months at a temperature of 4 °C indicating stability. Niosomes separated as a pellet were dried and incorporated into the hydrogel prepared using chitosan a natural polymer as a gelling agent. The effect of various chemical permeation enhancers was also studied over the gel formulations. The prepared formulations were characterized for viscosity, pH, drug release using Franz diffusion cells, and skin irritation test as well as in-vivo pharmacological activities. Atenolol niosomal gel preparations showed the prolonged release of the drug and pronounced antihypertensive activity indicating the suitability of niosomal gel for topical and systemic delivery of atenolol.

Keywords: atenolol, chitosan, niosomes, transdermal

Procedia PDF Downloads 271
5234 Estimated Human Absorbed Dose of 111 In-BPAMD as a New Bone-Seeking Spect-Imaging Agent

Authors: H. Yousefnia, S. Zolghadri

Abstract:

An early diagnosis of bone metastases is very important for providing a profound decision on a subsequent therapy. A prerequisite for the clinical application of new diagnostic radiopharmaceutical is the measurement of organ radiation exposure dose from biodistribution data in animals. In this study, the dosimetric studies of a novel agent for SPECT-imaging of bone methastases, 111In-(4-{[(bis(phosphonomethyl))carbamoyl]methyl}-7,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl) acetic acid (111In-BPAMD) complex, have been estimated in human organs based on mice data. The radiolabeled complex was prepared with high radiochemical purity at the optimal conditions. Biodistribution studies of the complex were investigated in male Syrian mice at selected times after injection (2, 4, 24 and 48 h). The human absorbed dose estimation of the complex was performed based on mice data by the radiation absorbed dose assessment resource (RADAR) method. 111In-BPAMD complex was prepared with high radiochemical purity >95% (ITLC) and specific activities of 2.85 TBq/mmol. Total body effective absorbed dose for 111In-BPAMD was 0.205 mSv/MBq. This value is comparable to the other 111In clinically used complexes. The results show that the dose to critical organs the complex is well within the acceptable considered range for diagnostic nuclear medicine procedures. Generally, 111In-BPAMD has interesting characteristics and can be considered as a viable agent for SPECT-imaging of the bone metastases in the near future.

Keywords: In-111, BPAMD, absorbed dose, RADAR

Procedia PDF Downloads 465
5233 Hydrodynamics in Wetlands of Brazilian Savanna: Electrical Tomography and Geoprocessing

Authors: Lucas M. Furlan, Cesar A. Moreira, Jepherson F. Sales, Guilherme T. Bueno, Manuel E. Ferreira, Carla V. S. Coelho, Vania Rosolen

Abstract:

Located in the western part of the State of Minas Gerais, Brazil, the study area consists of a savanna environment, represented by sedimentary plateau and a soil cover composed by lateritic and hydromorphic soils - in the latter, occurring the deferruginization and concentration of high-alumina clays, exploited as refractory material. In the hydromorphic topographic depressions (wetlands) the hydropedogical relationships are little known, but it is observed that in times of rainfall, the depressed region behaves like a natural seasonal reservoir - which suggests that the wetlands on the surface of the plateau are places of recharge of the aquifer. The aquifer recharge areas are extremely important for the sustainable social, economic and environmental development of societies. The understanding of hydrodynamics in relation to the functioning of the ferruginous and hydromorphic lateritic soils system in the savanna environment is a subject rarely explored in the literature, especially its understanding through the joint application of geoprocessing by UAV (Unmanned Aerial Vehicle) and electrical tomography. The objective of this work is to understand the hydrogeological dynamics in a wetland (with an area of 426.064 m²), in the Brazilian savanna,as well as the understanding of the subsurface architecture of hydromorphic depressions in relation to the recharge of aquifers. The wetland was compartmentalized in three different regions, according to the geoprocessing. Hydraulic conductivity studies were performed in each of these three portions. Electrical tomography was performed on 9 lines of 80 meters in length and spaced 10 meters apart (direction N45), and a line with 80 meters perpendicular to all others. With the data, it was possible to generate a 3D cube. The integrated analysis showed that the area behaves like a natural seasonal reservoir in the months of greater precipitation (December – 289mm; January – 277,9mm; February – 213,2mm), because the hydraulic conductivity is very low in all areas. In the aerial images, geotag correction of the images was performed, that is, the correction of the coordinates of the images by means of the corrected coordinates of the Positioning by Precision Point of the Brazilian Institute of Geography and Statistics (IBGE-PPP). Later, the orthomosaic and the digital surface model (DSM) were generated, which with specific geoprocessing generated the volume of water that the wetland can contain - 780,922m³ in total, 265,205m³ in the region with intermediate flooding and 49,140m³ in the central region, where a greater accumulation of water was observed. Through the electrical tomography it was possible to identify that up to the depth of 6 meters the water infiltrates vertically in the central region. From the 8 meters depth, the water encounters a more resistive layer and the infiltration begins to occur horizontally - tending to concentrate the recharge of the aquifer to the northeast and southwest of the wetland. The hydrodynamics of the area is complex and has many challenges in its understanding. The next step is to relate hydrodynamics to the evolution of the landscape, with the enrichment of high-alumina clays, and to propose a management model for the seasonal reservoir.

Keywords: electrical tomography, hydropedology, unmanned aerial vehicle, water resources management

Procedia PDF Downloads 129
5232 An Integrated Approach to Handle Sour Gas Transportation Problems and Pipeline Failures

Authors: Venkata Madhusudana Rao Kapavarapu

Abstract:

The Intermediate Slug Catcher (ISC) facility was built to process nominally 234 MSCFD of export gas from the booster station on a day-to-day basis and to receive liquid slugs up to 1600 m³ (10,000 BBLS) in volume when the incoming 24” gas pipelines are pigged following upsets or production of non-dew-pointed gas from gathering centers. The maximum slug sizes expected are 812 m³ (5100 BBLS) in winter and 542 m³ (3400 BBLS) in summer after operating for a month or more at 100 MMSCFD of wet gas, being 60 MMSCFD of treated gas from the booster station, combined with 40 MMSCFD of untreated gas from gathering center. The water content is approximately 60% but may be higher if the line is not pigged for an extended period, owing to the relative volatility of the condensate compared to water. In addition to its primary function as a slug catcher, the ISC facility will receive pigged liquids from the upstream and downstream segments of the 14” condensate pipeline, returned liquids from the AGRP, pigged through the 8” pipeline, and blown-down fluids from the 14” condensate pipeline prior to maintenance. These fluids will be received in the condensate flash vessel or the condensate separator, depending on the specific operation, for the separation of water and condensate and settlement of solids scraped from the pipelines. Condensate meeting the colour and 200 ppm water specifications will be dispatched to the AGRP through the 14” pipeline, while off-spec material will be returned to BS-171 via the existing 10” condensate pipeline. When they are not in operation, the existing 24” export gas pipeline and the 10” condensate pipeline will be maintained under export gas pressure, ready for operation. The gas manifold area contains the interconnecting piping and valves needed to align the slug catcher with either of the 24” export gas pipelines from the booster station and to direct the gas to the downstream segment of either of these pipelines. The manifold enables the slug catcher to be bypassed if it needs to be maintained or if through-pigging of the gas pipelines is to be performed. All gas, whether bypassing the slug catcher or returning to the gas pipelines from it, passes through black powder filters to reduce the level of particulates in the stream. These items are connected to the closed drain vessel to drain the liquid collected. Condensate from the booster station is transported to AGRP through 14” condensate pipeline. The existing 10” condensate pipeline will be used as a standby and for utility functions such as returning condensate from AGRP to the ISC or booster station or for transporting off-spec fluids from the ISC back to booster station. The manifold contains block valves that allow the two condensate export lines to be segmented at the ISC, thus facilitating bi-directional flow independently in the upstream and downstream segments, which ensures complete pipeline integrity and facility integrity. Pipeline failures will be attended to with the latest technologies by remote techno plug techniques, and repair activities will be carried out as needed. Pipeline integrity will be evaluated with ili pigging to estimate the pipeline conditions.

Keywords: integrity, oil & gas, innovation, new technology

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5231 Nutriscience Project: A Web-Based Intervention to Improve Nutritional Literacy among Families and Educators of Pre-School Children

Authors: R. Barros, J. Azevedo, P. Padrão, M. Gregório, I. Pádua, C. Almeida, C. Rodrigues, P. Fontes, A. Coelho

Abstract:

Recent evidence shows a positive association between nutritional literacy and healthy eating. Traditional nutrition education strategies for childhood obesity prevention have shown weak effect. The Nutriscience project aims to create and evaluate an innovative and multidisciplinary strategy for promoting effective and accessible nutritional information to children, their families, and educators. Nutriscience is a one-year prospective follow-up evaluation study including pre-school children (3-5 y), who attend national schools’ network (29). The project is structured around a web-based intervention, using an on-line interactive platform, and focus on increasing fruit and vegetable consumption, and reducing sugar and salt intake. The platform acts as a social network where educational materials, games, and nutritional challenges are proposed in a gamification approach that promotes family and community social ties. A nutrition Massive Online Open Course is developed for educators, and a national healthy culinary contest will be promoted on TV channel. A parental self-reported questionnaire assessing sociodemographic and nutritional literacy (knowledge, attitudes, skills) is administered (baseline and end of the intervention). We expect that results on nutritional literacy from the presented strategy intervention will give us important information about the best practices for health intervention with kindergarten families. This intervention program using a digital interactive platform could be an educational tool easily adapted and disseminated for childhood obesity prevention.

Keywords: childhood obesity, educational tool, nutritional literacy, web-based intervention

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5230 UF as Pretreatment of RO for Tertiary Treatment of Biologically Treated Distillery Spentwash

Authors: Pinki Sharma, Himanshu Joshi

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Distillery spentwash contains high chemical oxygen demand (COD), biological oxygen demand (BOD), color, total dissolved solids (TDS) and other contaminants even after biological treatment. The effluent can’t be discharged as such in the surface water bodies or land without further treatment. Reverse osmosis (RO) treatment plants have been installed in many of the distilleries at tertiary level. But at most of the places these plants are not properly working due to high concentration of organic matter and other contaminants in biologically treated spentwash. To make the membrane treatment proven and reliable technology, proper pre-treatment is mandatory. In the present study, ultra-filtration (UF) as pre-treatment of RO at tertiary stage was performed. Operating parameters namely initial pH (pHo: 2–10), trans-membrane pressure (TMP: 4-20 bars) and temperature (T: 15- 43°C) used for conducting experiments with UF system. Experiments were optimized at different operating parameters in terms of COD, color, TDS and TOC removal by using response surface methodology (RSM) with central composite design. The results showed that removal of COD, color and TDS by 62%, 93.5% and 75.5%, with UF, respectively at optimized conditions with increased permeate flux from 17.5 l/m2/h (RO) to 38 l/m2/h (UF-RO). The performance of the RO system was greatly improved both in term of pollutant removal as well as water recovery.

Keywords: bio-digested distillery spentwash, reverse osmosis, response surface methodology, ultra-filtration

Procedia PDF Downloads 333
5229 Solid Waste Disposal Site Selection in Thiruvananthapuram Corporation Area by Data Analysis Using GIS and Remote Sensing Tools

Authors: C. Asha Poorna, P. G. Vinod, A. R. R. Menon

Abstract:

Currently increasing population and their activities like urbanization and industrialization generating the greatest environmental, issue called Waste. And the major problem in waste management is selection of an appropriate site for waste disposal. The selection of suitable site have constrains like environmental, economical and political considerations. In this paper we discuss the strategies to be followed while selecting a site for decentralized system for solid waste disposal, using Geographic Information System (GIS), the Analytical Hierarchy Process (AHP) and the remote sensing method for Thiruvananthapuram corporation area. It is located on the west coast of India near the extreme south of the mainland. It lies on the shores of Killiyar and Karamana River. Being on the basin the waste managements must be regulated with the water body. The different criteria considered for waste disposal site selection are lithology, surface water, aquifer, groundwater, land use, contours, aspect, elevation, slope, and distance to road, distance from settlement are examined in relation to land fill site selection. Each criterion was identified and weighted by AHP score and mapped using GIS technique and suitable map is prepared by overlay analysis.

Keywords: waste disposal, solid waste management, Geographic Information System (GIS), Analytical Hierarchy Process (AHP)

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5228 Historical Analysis of the Landscape Changes and the Eco-Environment Effects on the Coastal Zone of Bohai Bay, China

Authors: Juan Zhou, Lusan Liu, Yanzhong Zhu, Kuixuan Lin, Wenqian Cai, Yu Wang, Xing Wang

Abstract:

During the past few decades, there has been an increase in the number of coastal land reclamation projects for residential, commercial and industrial purposes in more and more coastal cities of China, which led to the destruction of the wetlands and loss of the sensitive marine habitats. Meanwhile, the influences and nature of these projects attract widespread public and academic concern. For identifying the trend of landscape (esp. Coastal reclamation) and ecological environment changes, understanding of which interacted, and offering a general science for the development of regional plans. In the paper, a case study was carried out in Bohai Bay area, based on the analysis of remote sensing data. Land use maps were created for 1954, 1970, 1981, 1990, 2000 and 2010. Landscape metrics were calculated and illustrated that the degree of reclamation changes was linked to the hydrodynamic environment and macrobenthos community. The results indicated that the worst of the loss of initial areas occurred during 1954-1970, with 65.6% lost mostly to salt field; to 2010, Coastal reclamation area increased more than 200km² as artificial landscape. The numerical simulation of tidal current field in 2003 and 2010 respectively showed that the flow velocity in offshore became faster (from 2-5 cm/s to 10-20 cm/s), and the flow direction seem to go astray. These significant changes of coastline were not conducive to the spread of pollutants and degradation. Additionally, the dominant macrobenthos analysis from 1958 to 2012 showed that Musculus senhousei (Benson, 1842) spread very fast and had been the predominant species in the recent years, which was a disturbance tolerant species.

Keywords: Bohai Bay, coastal reclamation, landscape change, spatial patterns

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5227 Metabolome-based Profiling of African Baobab Fruit (Adansonia Digitata L.) Using a Multiplex Approach of MS and NMR Techniques in Relation to Its Biological Activity

Authors: Marwa T. Badawy, Alaa F. Bakr, Nesrine Hegazi, Mohamed A. Farag, Ahmed Abdellatif

Abstract:

Diabetes Mellitus (DM) is a chronic disease affecting a large population worldwide. Africa is rich in native medicinal plants with myriad health benefits, though less explored towards the development of specific drug therapy as in diabetes. This study aims to determine the in vivo antidiabetic potential of the well-reported and traditionally used fruits of Baobab (Adansonia digitata L.) using STZ induced diabetic model. The in-vitro cytotoxic and antioxidant properties were examined using MTT assay on L-929 fibroblast cells and DPPH antioxidant assays, respectively. The extract showed minimal cytotoxicity with an IC50 value of 105.7 µg/mL. Histopathological and immunohistochemical investigations showed the hepatoprotective and the renoprotective effects of A. digitata fruits’ extract, implying its protective effects against diabetes complications. These findings were further supported by biochemical assays, which showed that i.p., injection of a low dose (150 mg/kg) of A. digitata twice a week lowered the fasting blood glucose levels, lipid profile, hepatic and renal markers. For a comprehensive overview of extract metabolites composition, ultrahigh performance (UHPLC) analysis coupled to high-resolution tandem mass spectrometry (HRMS/MS) in synchronization with molecular networks led to the annotation of 77 metabolites, among which 50% are reported for the first time in A. digitata fruits.

Keywords: adansonia digital, diabetes mellitus, metabolomics, streptozotocin, Sprague, dawley rats

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5226 Optimized Parameters for Simultaneous Detection of Cd²⁺, Pb²⁺ and CO²⁺ Ions in Water Using Square Wave Voltammetry on the Unmodified Glassy Carbon Electrode

Authors: K. Sruthi, Sai Snehitha Yadavalli, Swathi Gosh Acharyya

Abstract:

Water is the most crucial element for sustaining life on earth. Increasing water pollution directly or indirectly leads to harmful effects on human life. Most of the heavy metal ions are harmful in their cationic form. These heavy metal ions are released by various activities like disposing of batteries, industrial wastes, automobile emissions, and soil contamination. Ions like (Pb, Co, Cd) are carcinogenic and show many harmful effects when consumed more than certain limits proposed by WHO. The simultaneous detection of the heavy metal ions (Pb, Co, Cd), which are highly toxic, is reported in this study. There are many analytical methods for quantifying, but electrochemical techniques are given high priority because of their sensitivity and ability to detect and recognize lower concentrations. Square wave voltammetry was preferred in electrochemical methods due to the absence of background currents which is interference. Square wave voltammetry was performed on GCE for the quantitative detection of ions. Three electrode system consisting of a glassy carbon electrode as the working electrode (3 mm diameter), Ag/Agcl electrode as the reference electrode, and a platinum wire as the counter electrode was chosen for experimentation. The mechanism of detection was done by optimizing the experimental parameters, namely pH, scan rate, and temperature. Under the optimized conditions, square wave voltammetry was performed for simultaneous detection. Scan rates were varied from 5 mV/s to 100 mV/s and found that at 25 mV/s all the three ions were detected simultaneously with proper peaks at particular stripping potential. The variation of pH from 3 to 8 was done where the optimized pH was taken as pH 5 which holds good for three ions. There was a decreasing trend at starting because of hydrogen gas evolution, and after pH 5 again there was a decreasing trend that is because of hydroxide formation on the surface of the working electrode (GCE). The temperature variation from 25˚C to 45˚C was done where the optimum temperature concerning three ions was taken as 35˚C. Deposition and stripping potentials were given as +1.5 V and -1.5 V, and the resting time of 150 seconds was given. Three ions were detected at stripping potentials of Cd²⁺ at -0.84 V, Pb²⁺ at -0.54 V, and Co²⁺ at -0.44 V. The parameters of detection were optimized on a glassy carbon electrode for simultaneous detection of the ions at lower concentrations by square wave voltammetry.

Keywords: cadmium, cobalt, lead, glassy carbon electrode, square wave anodic stripping voltammetry

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5225 Metazoan Meiofauna and Their Abundance in Relation to Environmental Variables in the Northern Red Sea

Authors: Hamed A. El-Serehy, Khaled A. Al-Rasheid, Fahad A. Al-Misned

Abstract:

The composition and distribution of the benthic meiofauna assemblages of the Egyptian coasts along the Red Sea are described in relation to abiotic variables. Sediment samples were collected seasonally from twelve stations chosen along the northern part of the Red Sea to observe the meiofaunal community structure, its temporal distribution and horizontal fluctuation in relation to environmental conditions of the Red Sea marine ecosystem. The meiofaunal assemblage in the area of study was well diversified including 140 taxa. The temperature, salinity, pH, dissolved oxygen, and redox potential were measured at the time of collection. The water content of the sediments, total organic matters and chlorophyll a values were determined, and sediment samples were subjected to granulometric analysis. A total of 10 meiofauna taxa were identified, with the meiofauna being primarily represented by nematodes (on annual average from 42% to 84%), harpacticoids, polycheates and ostracodes; and the meiofauna abundances ranging from 41- to 167 ind. / 10 cm2. The meiofaunal population density fluctuated seasonally with a peak of 192.52 ind. / 10 cm2 during summer at station II. The vertical zonation in the distribution of meiofaunal community was significantly correlated with interstitial water, chlorophyll a and total organic matter values. The present study indicates that the existing of well diversified meiofaunal group which can serve as food for higher trophic levels in the Red Sea interstitial environment.

Keywords: benthos, diversity, meiofauna, Red Sea

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5224 Treatment of Municipal Wastewater by Means of Uv-Assisted Irradiation Technologies: Fouling Studies and Optimization of Operational Parameters

Authors: Tooba Aslam, Efthalia Chatzisymeon

Abstract:

UV-assisted irradiation technologies are well-established for water and wastewater treatment. UVC treatments are widely used at large-scale, while UVA irradiation has more often been applied in combination with a catalyst (e.g. TiO₂ or FeSO₄) in smaller-scale systems. A technical issue of these systems is the formation of fouling on the quartz sleeves that houses the lamps. This fouling can prevent complete irradiation, therefore reducing the efficiency of the process. This paper investigates the effects of operational parameters, such as the type of wastewater, irradiation source, H₂O₂ addition, and water pH on fouling formation and, ultimately, the treatment of municipal wastewater. Batch experiments have been performed at lab-scale while monitoring water quality parameters including: COD, TS, TSS, TDS, temperature, pH, hardness, alkalinity, turbidity, TOC, UV transmission, UV₂₅₄ absorbance, and metal concentrations. The residence time of the wastewater in the reactor was 5 days in order to observe any fouling formation on the quartz surface. Over this period, it was observed that chemical oxygen demand (COD) decreased by 30% and 59% during photolysis (Ultraviolet A) and photo-catalysis (UVA/Fe/H₂O₂), respectively. Higher fouling formation was observed with iron-rich and phosphorous-rich wastewater. The highest rate of fouling was developed with phosphorous-rich wastewater, followed by the iron-rich wastewater. Photo-catalysis (UVA/Fe/H₂O₂) had better removal efficiency than photolysis (UVA). This was attributed to the Photo-Fenton reaction, which was initiated under these operational conditions. Scanning electron microscope (SEM) measurements of fouling formed on the quartz sleeves showed that particles vary in size, shape, and structure; some have more distinct structures and are generally larger and have less compact structure than the others. Energy-dispersive X-ray spectroscopy (EDX) results showed that the major metals present in the fouling cake were iron, phosphorous, and calcium. In conclusion, iron-rich wastewaters are more suitable for UV-assisted treatment since fouling formation on quartz sleeves can be minimized by the formation of oxidizing agents during treatment, such as hydroxyl radicals.

Keywords: advanced oxidation processes, photo-fenton treatment, photo-catalysis, wastewater treatment

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5223 Investigation of the Heavy Metal Pollution of the River Ecosystems in the Lake Sevan Basin, Armenia

Authors: G. Gevorgyan, S. Khudaverdyan, A. Vaseashta

Abstract:

The Lake Sevan basin is situated in the eastern part of the Republic of Armenia (Gegharquniq marz/district). The heavy metal pollution of the some tributaries of Lake Sevan was investigated. Water sampling was performed in August and December, 2014 from the 4 observation sites: 1) Sotq river upstream (about 600 meters upstream from the Sotq gold mine); 2) Sotq river mouth; 3) Masrik river mouth; 4) Dzknaget river mouth. Heavy metal (V, Fe, Ni, Cu, As, Mo, Pb) concentrations in the water samples were determined by the standard methods using an atomic absorption spectrophotometer. The results of the study showed that heavy metal content mainly increased from the upstream of the Sotq river to the mouth of the Masrik river which may have been conditioned by the influence of gold mining activity as the Masrik and its tributary-Sotq rivers passing through the gold mining area were exposed to heavy metal pollution. The observation sites can be ranked by pollution degree as follows: №3> №2> №1> №4. The highest heavy metal pollution degree was observed in the Masrik river mouth which may have been conditioned by the direct impact of gold mining activity and the pressure of its tributary–the Sotq river which flows through the gold mining area. The lowest heavy metal pollution degree was registered in the Dzknaget river mouth which flowing through rural areas wasn’t subject to significant heavy metal pollution. According to the observation sites of the Sotq and Masrik rivers, high positive correlation was mainly observed between the concentrations of the investigated heavy metals (except nickel) which indicated that all the heavy metals except the nickel had the same anthropogenic pollution source which was the activity of the Sotq gold mine. In general, it is possible to state that the activity of the Sotq gold mine in the Lake Sevan basin caused the heavy metal pollution of the Sotq and Masrik rivers which may have posed environmental hazards. Heavy metals are nondegradable substances, and heavy metal pollution of freshwater systems may pose risks to the environment and human health through accumulation in the tissues of aquatic organisms, water-food chain as well as oral ingestion and dermal contact.

Keywords: Armenia, Lake Sevan basin, gold mining activity, river ecosystems, heavy metal pollution

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5222 Development and Characterization of Wheat Bread with Lupin Flour

Authors: Paula M. R. Correia, Marta Gonzaga, Luis M. Batista, Luísa Beirão-Costa, Raquel F. P. Guiné

Abstract:

The purpose of the present work was to develop an innovative food product with good textural and sensorial characteristics. The product, a new type of bread, was prepared with wheat (90%) and lupin (10%) flours, without the addition of any conservatives. Several experiences were also done to find the most appropriate proportion of lupin flour. The optimized product was characterized considering the rheological, physical-chemical and sensorial properties. The water absorption of wheat flour with 10% of lupin was higher than that of the normal wheat flours, and Wheat Ceres flour presented the lower value, with lower dough development time and high stability time. The breads presented low moisture but a considerable water activity. The density of bread decreased with the introduction of lupin flour. The breads were quite white, and during storage the colour parameters decreased. The lupin flour clearly increased the number of alveolus, but the total area increased significantly just for the Wheat Cerealis bread. The addition of lupin flour increased the hardness and chewiness of breads, but the elasticity did not vary significantly. Lupin bread was sensorially similar to wheat bread produced with WCerealis flour, and the main differences are the crust rugosity, colour and alveolus characteristics.

Keywords: Lupin flour, physical-chemical properties, sensorial analysis, wheat flour

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5221 In vivo Antiplatelet Activity Test of Wet Extract of Mimusops elengi L.'s Leaves on DDY Strain Mice as an Effort to Treat Atherosclerosis

Authors: Dewi Tristantini, Jason Jonathan

Abstract:

Coronary Artery Disease (CAD) is one of the deathliest diseases which is caused by atherosclerosis. Atherosclerosis is a disease that plaque builds up inside the arteries. Plaque is made up of fat, cholesterol, calcium, platelet, and other substances found in blood. The current treatment of atherosclerosis is to provide antiplatelet therapy treatment, but such treatments often cause gastrointestinal irritation, muscle pain and hormonal imbalance. Mimusops elengi L.’s leaves can be utilized as a natural and cheap antiplatelet’s source because it contains flavonoids such as quertecin. Antiplatelet aggregation effect of Mimusops elengi L.’s leaves’ wet extract was measured by bleeding time on DDY strain mice with the test substances were given orally during the period of 8 days. The bleeding time was measured on first day and 9th day. Empirically, the dose which is used for humans is 8.5 g of leaves in 600 ml of water. This dose is equivalent to 2.1 g of leaves in 350 ml of water for mice. The extract was divided into 3 doses for mice: 0.05 ml/day; 0.1 ml/day; 0.2 ml/day. After getting the percentage of the increase in bleeding time, data were analyzed by analysis of variance test (Anova), followed by individual comparison within the groups by LSD test. The test substances above respectively increased bleeding time 21%, 62%, and 128%. As the conclusion, the 0.02 ml/day dose of Mimusops elengi L.’s leaves’ wet extract could increase bleeding time better than clopidogrel as positive controls with 110% increase in bleeding time.

Keywords: antiplatelets, atheroschlerosis, bleeding time, Mimusops elengi

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5220 Research on the Two-Way Sound Absorption Performance of Multilayer Material

Authors: Yang Song, Xiaojun Qiu

Abstract:

Multilayer materials are applied to much acoustics area. Multilayer porous materials are dominant in room absorber. Multilayer viscoelastic materials are the basic parts in underwater absorption coating. In most cases, the one-way sound absorption performance of multilayer material is concentrated according to the sound source site. But the two-way sound absorption performance is also necessary to be known in some special cases which sound is produced in both sides of the material and the both sides especially might contact with different media. In this article, this kind of case was research. The multilayer material was composed of viscoelastic layer and steel plate and the porous layer. The two sides of multilayer material contact with water and air, respectively. A theory model was given to describe the sound propagation and impedance in multilayer absorption material. The two-way sound absorption properties of several multilayer materials were calculated whose two sides all contacted with different media. The calculated results showed that the difference of two-way sound absorption coefficients is obvious. The frequency, the relation of layers thickness and parameters of multilayer materials all have an influence on the two-way sound absorption coefficients. But the degrees of influence are varied. All these simulation results were analyzed in the article. It was obtained that two-way sound absorption at different frequencies can be promoted by optimizing the configuration parameters. This work will improve the performance of underwater sound absorption coating which can absorb incident sound from the water and reduce the noise radiation from inside space.

Keywords: different media, multilayer material, sound absorption coating, two-way sound absorption

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5219 Modelling Home Appliances for Energy Management System: Comparison of Simulation Results with Measurements

Authors: Aulon Shabani, Denis Panxhi, Orion Zavalani

Abstract:

This paper presents the modelling and development of a simulator for residential electrical appliances. The simulator is developed on MATLAB providing the possibility to analyze and simulate energy consumption of frequently used home appliances in Albania. Modelling of devices considers the impact of different factors, mentioning occupant behavior and climacteric conditions. Most devices are modeled as an electric circuit, and the electric energy consumption is estimated by the solutions of the guiding differential equations. The provided models refer to devices like a dishwasher, oven, water heater, air conditioners, light bulbs, television, refrigerator water, and pump. The proposed model allows us to simulate beforehand the energetic behavior of the largest consumption home devices to estimate peak consumption and improving its reduction. Simulated home prototype results are compared to real measurement of a considered typical home. Obtained results from simulator framework compared to monitored typical household using EmonTxV3 show the effectiveness of the proposed simulation. This conclusion will help for future simulation of a large group of typical household for a better understanding of peak consumption.

Keywords: electrical appliances, energy management, modelling, peak estimation, simulation, smart home

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5218 Safe Disposal of Pyrite Rich Waste Rock Using Alkali Phosphate Treatment

Authors: Jae Gon Kim, Yongchan Cho, Jungwha Lee

Abstract:

Acid rock drainage (ARD) is generated by the oxidation of pyrite (FeS₂) contained in the excavated rocks upon its exposure to atmosphere and is an environmental concern at construction site due to its high acidity and high concentration of toxic elements. We developed the safe disposal method with the reduction of ARD generation by an alkali phosphate treatment. A pyrite rich andesite was collected from a railway construction site. The collected rock sample was crushed to be less than 3/8 inches in diameter using a jaw crusher. The crushed rock was filled in an acryl tube with 20 cm in diameter and 40 cm in height. Two treatments for the ARD reduction were conducted with duplicates: 1) the addition of 10mM KH₂PO₄_3% NaHCO₃ and 2) the addition of 10mM KH₂PO₄_3% NaHCO₃ and ordinary portland cement (OPC) on the top of the column. After the treatments, 500 ml of distilled water added to each column for every week for 3 weeks and then the column was flushed with 1,500 ml of distilled water in the 4th week. The pH, electrical conductivity (EC), concentrations of anions and cations of the leachates were monitored for 10 months. The pH of the leachates from the untreated column showed 2.1-3.7, but the leachates from the columns treated with the alkali phosphate solution with or without the OPC addition showed pH 6.7–8.9. The leachates from the treated columns had much lower concentrations of SO₄²⁻ and toxic elements such as Al, Mn, Fe and heavy metals than those from the untreated columns. However, the leachates from the treated columns had a higher As concentration than those from the untreated columns. There was no significant difference in chemical property between the leachates from the treated columns with and without the OPC addition. The chemistry of leachates indicates that the alkali phosphate treatment decreased the oxidation of sulfide and neutralized the acidic pore water. No significant effect of the OPC addition on the leachate chemistry has shown during 10-month experiment. However, we expect a positive effect of the OPC addition on the reduction of ARD generation in terms of long period. According to the results of this experiment, the alkali phosphate treatment of sulfide rich rock can be a promising technology for the safe disposal method with the ARD reduction.

Keywords: acid rock drainage, alkali phosphate treatment, pyrite rich rock, safe disposal

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5217 Molecular Modeling and Prediction of the Physicochemical Properties of Polyols in Aqueous Solution

Authors: Maria Fontenele, Claude-Gilles Dussap, Vincent Dumouilla, Baptiste Boit

Abstract:

Roquette Frères is a producer of plant-based ingredients that employs many processes to extract relevant molecules and often transforms them through chemical and physical processes to create desired ingredients with specific functionalities. In this context, Roquette encounters numerous multi-component complex systems in their processes, including fibers, proteins, and carbohydrates, in an aqueous environment. To develop, control, and optimize both new and old processes, Roquette aims to develop new in silico tools. Currently, Roquette uses process modelling tools which include specific thermodynamic models and is willing to develop computational methodologies such as molecular dynamics simulations to gain insights into the complex interactions in such complex media, and especially hydrogen bonding interactions. The issue at hand concerns aqueous mixtures of polyols with high dry matter content. The polyols mannitol and sorbitol molecules are diastereoisomers that have nearly identical chemical structures but very different physicochemical properties: for example, the solubility of sorbitol in water is 2.5 kg/kg of water, while mannitol has a solubility of 0.25 kg/kg of water at 25°C. Therefore, predicting liquid-solid equilibrium properties in this case requires sophisticated solution models that cannot be based solely on chemical group contributions, knowing that for mannitol and sorbitol, the chemical constitutive groups are the same. Recognizing the significance of solvation phenomena in polyols, the GePEB (Chemical Engineering, Applied Thermodynamics, and Biosystems) team at Institut Pascal has developed the COSMO-UCA model, which has the structural advantage of using quantum mechanics tools to predict formation and phase equilibrium properties. In this work, we use molecular dynamics simulations to elucidate the behavior of polyols in aqueous solution. Specifically, we employ simulations to compute essential metrics such as radial distribution functions and hydrogen bond autocorrelation functions. Our findings illuminate a fundamental contrast: sorbitol and mannitol exhibit disparate hydrogen bond lifetimes within aqueous environments. This observation serves as a cornerstone in elucidating the divergent physicochemical properties inherent to each compound, shedding light on the nuanced interplay between their molecular structures and water interactions. We also present a methodology to predict the physicochemical properties of complex solutions, taking as sole input the three-dimensional structure of the molecules in the medium. Finally, by developing knowledge models, we represent some physicochemical properties of aqueous solutions of sorbitol and mannitol.

Keywords: COSMO models, hydrogen bond, molecular dynamics, thermodynamics

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