Search results for: thermal activation
955 Formation of the Water Assisted Supramolecular Assembly in the Transition Structure of Organocatalytic Asymmetric Aldol Reaction: A DFT Study
Authors: Kuheli Chakrabarty, Animesh Ghosh, Atanu Roy, Gourab Kanti Das
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Aldol reaction is an important class of carbon-carbon bond forming reactions. One of the popular ways to impose asymmetry in aldol reaction is the introduction of chiral auxiliary that binds the approaching reactants and create dissymmetry in the reaction environment, which finally evolves to enantiomeric excess in the aldol products. The last decade witnesses the usage of natural amino acids as chiral auxiliary to control the stereoselectivity in various carbon-carbon bond forming processes. In this context, L-proline was found to be an effective organocatalyst in asymmetric aldol additions. In last few decades the use of water as solvent or co-solvent in asymmetric organocatalytic reaction is increased sharply. Simple amino acids like L-proline does not catalyze asymmetric aldol reaction in aqueous medium not only that, In organic solvent medium high catalytic loading (~30 mol%) is required to achieve moderate to high asymmetric induction. In this context, huge efforts have been made to modify L-proline and 4-hydroxy-L-proline to prepare organocatalyst for aqueous medium asymmetric aldol reaction. Here, we report the result of our DFT calculations on asymmetric aldol reaction of benzaldehyde, p-NO2 benzaldehyde and t-butyraldehyde with a number of ketones using L-proline hydrazide as organocatalyst in wet solvent free condition. Gaussian 09 program package and Gauss View program were used for the present work. Geometry optimizations were performed using B3LYP hybrid functional and 6-31G(d,p) basis set. Transition structures were confirmed by hessian calculation and IRC calculation. As the reactions were carried out in solvent free condition, No solvent effect were studied theoretically. Present study has revealed for the first time, the direct involvement of two water molecules in the aldol transition structures. In the TS, the enamine and the aldehyde is connected through hydrogen bonding by the assistance of two intervening water molecules forming a supramolecular network. Formation of this type of supramolecular assembly is possible due to the presence of protonated -NH2 group in the L-proline hydrazide moiety, which is responsible for the favorable entropy contribution to the aldol reaction. It is also revealed from the present study that, water assisted TS is energetically more favorable than the TS without involving any water molecule. It can be concluded from this study that, insertion of polar group capable of hydrogen bond formation in the L-proline skeleton can lead to a favorable aldol reaction with significantly high enantiomeric excess in wet solvent free condition by reducing the activation barrier of this reaction.Keywords: aldol reaction, DFT, organocatalysis, transition structure
Procedia PDF Downloads 426954 Electrodeposition and Selenization of Cuin Alloys for the Synthesis of Photoactive Cu2in1-X Gax Se2 (Cigs) Thin Films
Authors: Mohamed Benaicha, Mahdi Allam
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A new two stage electrochemical process as a safe, large area and low processing cost technique for the production of semi-conducting CuInSe2 (CIS) thin films is studied. CuIn precursors were first potentiostatically electrodeposited onto molybdenum substrates from an acidic thiocyanate electrolyte. In a second stage, the prepared metallic CuIn layers were used as substrate in the selenium electrochemical deposition system and subjected to a thermal treatment in vacuum atmosphere, to eliminate binary phase formation by reaction of the Cu2-x Se and InxSey selenides, leading to the formation of CuInSe2 thin film. Electrochemical selenization from aqueous electrolyte is introduced as an alternative to toxic and hazardous H2Se or Se vapor phase selenization used in physical techniques. In this study, the influence of film deposition parameters such as bath composition, temperature and potential on film properties was studied. The electrochemical, morphological, structural and compositional properties of electrodeposited thin films were characterized using various techniques. Results of Cyclic and Stripping-Cyclic Voltammetry (CV, SCV), Scanning Electron Microscopy (SEM) and Energy Dispersive X-Ray microanalysis (EDX) investigations revealed good reproducibility and homogeneity of the film composition. Thereby optimal technological parameters for the electrochemical production of CuIn, Se as precursors for CuInSe2 thin layers are determined.Keywords: photovoltaic, CIGS, copper alloys, electrodeposition, thin films
Procedia PDF Downloads 452953 Exploring Neural Responses to Urban Spaces in Older People Using Mobile EEG
Authors: Chris Neale, Jenny Roe, Peter Aspinall, Sara Tilley, Steve Cinderby, Panos Mavros, Richard Coyne, Neil Thin, Catharine Ward Thompson
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This research directly assesses older people’s neural activation in response to walking through a changing urban environment, as measured by electroencephalography (EEG). As the global urban population is predicted to grow, there is a need to understand the role that the urban environment may play on the health of its older inhabitants. There is a large body of evidence suggesting green space has a beneficial restorative effect, but this effect remains largely understudied in both older people and by using a neuroimaging assessment. For this study, participants aged 65 years and over were required to walk between a busy urban built environment and a green urban environment, in a counterbalanced design, wearing an Emotiv EEG headset to record real-time neural responses to place. Here we report on the outputs for these responses derived from both the proprietary Affectiv Suite software, which creates emotional parameters with a real time value assigned to them, as well as the raw EEG output focusing on alpha and beta changes, associated with changes in relaxation and attention respectively. Each walk lasted around fifteen minutes and was undertaken at the natural walking pace of the participant. The two walking environments were compared using a form of high dimensional correlated component regression (CCR) on difference data between the urban busy and urban green spaces. For the Emotiv parameters, results showed that levels of ‘engagement’ increased in the urban green space (with a subsequent decrease in the urban busy built space) whereas levels of ‘excitement’ increased in the urban busy environment (with a subsequent decrease in the urban green space). In the raw data, low beta (13 – 19 Hz) increased in the urban busy space with a subsequent decrease shown in the green space, similar to the pattern shown with the ‘excitement’ result. Alpha activity (9 – 13 Hz) shows a correlation with low beta, but not with dependent change in the regression model. This suggests that alpha is acting as a suppressor variable. These results suggest that there are neural signatures associated with the experience of urban spaces which may reflect the age of the cohort or the spatiality of the settings themselves. These are shown both in the outputs of the proprietary software as well as the raw EEG output. Built busy urban spaces appear to induce neural activity associated with vigilance and low level stress, while this effect is ameliorated in the urban green space, potentially suggesting a beneficial effect on attentional capacity in urban green space in this participant group. The interaction between low beta and alpha requires further investigation, in particular the role of alpha in this relationship.Keywords: ageing, EEG, green space, urban space
Procedia PDF Downloads 212952 Selective Conversion of Biodiesel Derived Glycerol to 1,2-Propanediol over Highly Efficient γ-Al2O3 Supported Bimetallic Cu-Ni Catalyst
Authors: Smita Mondal, Dinesh Kumar Pandey, Prakash Biswas
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During past two decades, considerable attention has been given to the value addition of biodiesel derived glycerol (~10wt.%) to make the biodiesel industry economically viable. Among the various glycerol value-addition methods, hydrogenolysis of glycerol to 1,2-propanediol is one of the attractive and promising routes. In this study, highly active and selective γ-Al₂O₃ supported bimetallic Cu-Ni catalyst was developed for selective hydrogenolysis of glycerol to 1,2-propanediol in the liquid phase. The catalytic performance was evaluated in a high-pressure autoclave reactor. The formation of mixed oxide indicated the strong interaction of Cu, Ni with the alumina support. Experimental results demonstrated that bimetallic copper-nickel catalyst was more active and selective to 1,2-PDO as compared to monometallic catalysts due to bifunctional behavior. To verify the effect of calcination temperature on the formation of Cu-Ni mixed oxide phase, the calcination temperature of 20wt.% Cu:Ni(1:1)/Al₂O₃ catalyst was varied from 300°C-550°C. The physicochemical properties of the catalysts were characterized by various techniques such as specific surface area (BET), X-ray diffraction study (XRD), temperature programmed reduction (TPR), and temperature programmed desorption (TPD). The BET surface area and pore volume of the catalysts were in the range of 71-78 m²g⁻¹, and 0.12-0.15 cm³g⁻¹, respectively. The peaks at the 2θ range of 43.3°-45.5° and 50.4°-52°, was corresponded to the copper-nickel mixed oxidephase [JCPDS: 78-1602]. The formation of mixed oxide indicated the strong interaction of Cu, Ni with the alumina support. The crystallite size decreased with increasing the calcination temperature up to 450°C. Further, the crystallite size was increased due to agglomeration. Smaller crystallite size of 16.5 nm was obtained for the catalyst calcined at 400°C. Total acidic sites of the catalysts were determined by NH₃-TPD, and the maximum total acidic of 0.609 mmol NH₃ gcat⁻¹ was obtained over the catalyst calcined at 400°C. TPR data suggested the maximum of 75% degree of reduction of catalyst calcined at 400°C among all others. Further, 20wt.%Cu:Ni(1:1)/γ-Al₂O₃ catalyst calcined at 400°C exhibited highest catalytic activity ( > 70%) and 1,2-PDO selectivity ( > 85%) at mild reaction condition due to highest acidity, highest degree of reduction, smallest crystallite size. Further, the modified Power law kinetic model was developed to understand the true kinetic behaviour of hydrogenolysis of glycerol over 20wt.%Cu:Ni(1:1)/γ-Al₂O₃ catalyst. Rate equations obtained from the model was solved by ode23 using MATLAB coupled with Genetic Algorithm. Results demonstrated that the model predicted data were very well fitted with the experimental data. The activation energy of the formation of 1,2-PDO was found to be 45 kJ mol⁻¹.Keywords: glycerol, 1, 2-PDO, calcination, kinetic
Procedia PDF Downloads 135951 Ultrasonic Irradiation Synthesis of High-Performance Pd@Copper Nanowires/MultiWalled Carbon Nanotubes-Chitosan Electrocatalyst by Galvanic Replacement toward Ethanol Oxidation in Alkaline Media
Authors: Majid Farsadrouh Rashti, Amir Shafiee Kisomi, Parisa Jahani
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The direct ethanol fuel cells (DEFCs) are contemplated as a promising energy source because, In addition to being used in portable electronic devices, it is also used for electric vehicles. The synthesis of bimetallic nanostructures due to their novel optical, catalytic and electronic characteristic which is precisely in contrast to their monometallic counterparts is attracting extensive attention. Galvanic replacement (sometimes is named to as cementation or immersion plating) is an uncomplicated and effective technique for making nanostructures (such as core-shell) of different metals, semiconductors, and their application in DEFCs. The replacement of galvanic does not need any external power supply compared to electrodeposition. In addition, it is different from electroless deposition because there is no need for a reducing agent to replace galvanizing. In this paper, a fast method for the palladium (Pd) wire nanostructures synthesis with the great surface area through galvanic replacement reaction utilizing copper nanowires (CuNWS) as a template by the assistance of ultrasound under room temperature condition is proposed. To evaluate the morphology and composition of Pd@ Copper nanowires/MultiWalled Carbon nanotubes-Chitosan, emission scanning electron microscopy, energy dispersive X-ray spectroscopy were applied. In order to measure the phase structure of the electrocatalysts were performed via room temperature X-ray powder diffraction (XRD) applying an X-ray diffractometer. Various electrochemical techniques including chronoamperometry and cyclic voltammetry were utilized for the electrocatalytic activity of ethanol electrooxidation and durability in basic solution. Pd@ Copper nanowires/MultiWalled Carbon nanotubes-Chitosan catalyst demonstrated substantially enhanced performance and long-term stability for ethanol electrooxidation in the basic solution in comparison to commercial Pd/C that demonstrated the potential in utilizing Pd@ Copper nanowires/MultiWalled Carbon nanotubes-Chitosan as efficient catalysts towards ethanol oxidation. Noticeably, the Pd@ Copper nanowires/MultiWalled Carbon nanotubes-Chitosan presented excellent catalytic activities with a peak current density of 320.73 mAcm² which was 9.5 times more than in comparison to Pd/C (34.2133 mAcm²). Additionally, activation energy thermodynamic and kinetic evaluations revealed that the Pd@ Copper nanowires/MultiWalled Carbon nanotubes-Chitosan catalyst has lower compared to Pd/C which leads to a lower energy barrier and an excellent charge transfer rate towards ethanol oxidation.Keywords: core-shell structure, electrocatalyst, ethanol oxidation, galvanic replacement reaction
Procedia PDF Downloads 137950 Improve Heat Pipe Thermal Performance in H-VAC Systems Using CFD Modeling
Authors: H. Shokouhmand, A. Ghanami
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A heat pipe is simple heat transfer device which combines the conduction and phase change phenomena to control the heat transfer without any need for external power source. At a hot surface of the heat pipe, the liquid phase absorbs heat and changes to the vapor phase. The vapor phase flows to condenser region and with the loss of heat changes to the liquid phase. Due to gravitational force the liquid phase flows to the evaporator section. In HVAC systems, the working fluid is chosen based on the operating temperature. The heat pipe has significant capability to reduce the humidity in HVAC systems. Each HVAC system which uses the heater, humidifier, or dryer is a suitable nominate for the utilization of heat pipes. Generally, heat pipes have three main sections: condenser, adiabatic region, and evaporator. Performance investigation and optimization of heat pipes operation in order to increase their efficiency is crucial. In the present article, a parametric study is performed to improve the heat pipe performance. Therefore, the heat capacity of the heat pipe with respect to geometrical and confining parameters is investigated. For the better observation of heat pipe operation in HVAC systems, a CFD simulation in Eulerian-Eulerian multiphase approach is also performed. The results show that heat pipe heat transfer capacity is higher for water as working fluid with the operating temperature of 340 K. It is also showed that the vertical orientation of heat pipe enhances its heat transfer capacity.Keywords: heat pipe, HVAC system, grooved heat pipe, heat pipe limits
Procedia PDF Downloads 427949 Increasing of Gain in Unstable Thin Disk Resonator
Authors: M. Asl. Dehghan, M. H. Daemi, S. Radmard, S. H. Nabavi
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Thin disk lasers are engineered for efficient thermal cooling and exhibit superior performance for this task. However the disk thickness and large pumped area make the use of this gain format in a resonator difficult when constructing a single-mode laser. Choosing an unstable resonator design is beneficial for this purpose. On the other hand, the low gain medium restricts the application of unstable resonators to low magnifications and therefore to a poor beam quality. A promising idea to enable the application of unstable resonators to wide aperture, low gain lasers is to couple a fraction of the out coupled radiation back into the resonator. The output coupling gets dependent on the ratio of the back reflection and can be adjusted independently from the magnification. The excitation of the converging wave can be done by the use of an external reflector. The resonator performance is numerically predicted. First of all the threshold condition of linear, V and 2V shape resonator is investigated. Results show that the maximum magnification is 1.066 that is very low for high quality purposes. Inserting an additional reflector covers the low gain. The reflectivity and the related magnification of a 350 micron Yb:YAG disk are calculated. The theoretical model was based on the coupled Kirchhoff integrals and solved numerically by the Fox and Li algorithm. Results show that with back reflection mechanism in combination with increasing the number of beam incidents on disk, high gain and high magnification can occur.Keywords: unstable resonators, thin disk lasers, gain, external reflector
Procedia PDF Downloads 404948 Assessing Climate-Induced Species Range Shifts and Their Impacts on the Protected Seascape on Canada’s East Coast Using Species Distribution Models and Future Projections
Authors: Amy L. Irvine, Gabriel Reygondeau, Derek P. Tittensor
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Marine protected areas (MPAs) within Canada’s exclusive economic zone help ensure the conservation and sustainability of marine ecosystems and the continued provision of ecosystem services to society (e.g., food, carbon sequestration). With ongoing and accelerating climate change, however, MPAs may become undermined in terms of their effectiveness at fulfilling these outcomes. Many populations of species, especially those at their thermal range limits, may shift to cooler waters or become extirpated due to climate change, resulting in new species compositions and ecological interactions within static MPA boundaries. While Canadian MPA management follows international guidelines for marine conservation, no consistent approach exists for adapting MPA networks to climate change and the resulting altered ecosystem conditions. To fill this gap, projected climate-driven shifts in species distributions on Canada’s east coast were analyzed to identify when native species emigrate and novel species immigrate within the network and how high mitigation and carbon emission scenarios influence these timelines. Indicators of the ecological changes caused by these species' shifts in the biological community were also developed. Overall, our research provides projections of climate change impacts and helps to guide adaptive management responses within the Canadian east coast MPA network.Keywords: climate change, ecosystem modeling, marine protected areas, management
Procedia PDF Downloads 89947 Thermal and Geometric Effects on Nonlinear Response of Incompressible Hyperelastic Cylindrical Shells
Authors: Morteza Shayan Arani, Mohammadamin Esmailzadehazimi, Mohammadreza Moeini, Mohammad Toorani, Aouni A. Lakis
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This paper investigates the nonlinear response of thin, incompressible, hyperelastic cylindrical shells in the presence of a time-varying temperature field while considering initial geometric imperfections. The governing equations of motion are derived using an improved Donnell's shallow shell theory. The hyperelastic material is modeled using the Mooney-Rivlin model with two parameters, incorporating temperature-dependent terms. The Lagrangian method is applied to obtain the equation of motion. The resulting governing equation is addressed through the Lindstedt-Poincaré and Multiple Scale methods. The linear and nonlinear models presented in this study are verified against existing open literature, demonstrating the accuracy and reliability of the presented model. The study focuses on understanding the influence of temperature variations and geometrical imperfections on the natural frequency and amplitude-frequency response of the systems. Notably, the investigation reveals the coexistence of hardening and softening peaks in the amplitude-frequency response, which vary in magnitude depending on these parameters. Additionally, resonance peaks exhibit changes as a result of temperature and geometric imperfections.Keywords: hyperelastic material, cylindrical shell, geometrical nonlinearity, material naolinearity, initial geometric imperfection, temperature gradient, hardening and softening
Procedia PDF Downloads 59946 Geochemical Characterization of the Fahdene Formation in the Kef-Tedjerouine Area (Northwestern Tunisia)
Authors: Tahani Hallek, Dhaou Akrout, Riadh Ahmadi, Mabrouk Montacer
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The present work is an organo-geochemical study of the Fahdene Formation outcrops at the Mahjouba region belonging to the Eastern part of the Kalaat Senan structure in northwestern Tunisia (the Kef-Tedjerouine area). The analytical study of the organic content of the samples collected, allowed us to point out that the Formation in question is characterized by an average to good oil potential. This fossilized organic matter has a planktonic marine origin (type II), as indicated by the relatively high values of hydrogen index. Tmax values are in the range 440°C and attest a thermal stage of the oil window beginning. Mineralogical study found the existence of macro and micro fractures that are parallel to rock stratification or oblique with a high density. Fill standpoint, the major component of the mineralized veins is the fibrous calcite with bitumen traces. The composition of these fractures is mainly due to the availability of chemical elements scattered in the surrounding rock. As for the origin of these fractures, we assume that fluid pressure processes are heavily involved, together with the regional compressional tectonic stress regime. The Fahdene Formation has a great importance in conventional oil development as a potential source rock, and even in terms of unconventional oil exploitation through the intense fracturing allowing the percolation of gas shale and facilitating its exploitation.Keywords: fluid pressure, fracturation, oil exploration, organic matter
Procedia PDF Downloads 250945 Root Cause Analysis of Excessive Vibration in a Feeder Pump of a Large Thermal Electric Power Plant: A Simulation Approach
Authors: Kavindan Balakrishnan
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Root cause Identification of the Vibration phenomenon in a feedwater pumping station was the main objective of this research. First, the mode shapes of the pumping structure were investigated using numerical and analytical methods. Then the flow pressure and streamline distribution in the pump sump were examined using C.F.D. simulation, which was hypothesized can be a cause of vibration in the pumping station. As the problem specification of this research states, the vibration phenomenon in the pumping station, with four parallel pumps operating at the same time and heavy vibration recorded even after several maintenance steps. They also specified that a relatively large amplitude of vibration exited by pumps 1 and 4 while others remain normal. As a result, the focus of this research was on determining the cause of such a mode of vibration in the pump station with the assistance of Finite Element Analysis tools and Analytical methods. Major outcomes were observed in structural behavior which is favorable to the vibration pattern phenomenon in the pumping structure as a result of this research. Behaviors of the numerical and analytical models of the pump structure have similar characteristics in their mode shapes, particularly in their 2nd mode shape, which is considerably related to the exact cause of the research problem statement. Since this study reveals several possible points of flow visualization in the pump sump model that can be a favorable cause of vibration in the system, there is more room for improved investigation on flow conditions relating to pump vibrations.Keywords: vibration, simulation, analysis, Ansys, Matlab, mode shapes, pressure distribution, structure
Procedia PDF Downloads 117944 Thermochemical Study of the Degradation of the Panels of Wings in a Space Shuttle by Utilization of HSC Chemistry Software and Its Database
Authors: Ahmed Ait Hou
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The wing leading edge and nose cone of the space shuttle are fabricated from a reinforced carbon/carbon material. This material attains its durability from a diffusion coating of silicon carbide (SiC) and a glass sealant. During re-entry into the atmosphere, this material is subject to an oxidizing high-temperature environment. The use of thermochemical calculations resulting at the HSC CHEMISTRY software and its database allows us to interpret the phenomena of oxidation and chloridation observed on the wing leading edge and nose cone of the space shuttle during its mission in space. First study is the monitoring of the oxidation reaction of SiC. It has been demonstrated that thermal oxidation of the SiC gives the two compounds SiO₂(s) and CO(g). In the extreme conditions of very low oxygen partial pressures and high temperatures, there is a reaction between SiC and SiO₂, leading to SiO(g) and CO(g). We had represented the phase stability diagram of Si-C-O system calculated by the use of the HSC Chemistry at 1300°C. The principal characteristic of this diagram of predominance is the line of SiC + SiO₂ coexistence. Second study is the monitoring of the chloridation reaction of SiC. The other problem encountered in addition to oxidation is the phenomenon of chloridation due to the presence of NaCl. Indeed, after many missions, the leading edge wing surfaces have exhibited small pinholes. We have used the HSC Chemistry database to analyze these various reactions. Our calculations concorde with the phenomena we announced in research work resulting in NASA LEWIS Research center.Keywords: thermochchemicals calculations, HSC software, oxidation and chloridation, wings in space
Procedia PDF Downloads 111943 Scrutiny and Solving Analytically Nonlinear Differential at Engineering Field of Fluids, Heat, Mass and Wave by New Method AGM
Authors: Mohammadreza Akbari, Sara Akbari, Davood Domiri Ganji, Pooya Solimani, Reza Khalili
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As all experts know most of engineering system behavior in practical are nonlinear process (especially heat, fluid and mass, etc.) and analytical solving (no numeric) these problems are difficult, complex and sometimes impossible like (fluids and gas wave, these problems can't solve with numeric method, because of no have boundary condition) accordingly in this symposium we are going to exposure a innovative approach which we have named it Akbari-Ganji's Method or AGM in engineering, that can solve sets of coupled nonlinear differential equations (ODE, PDE) with high accuracy and simple solution and so this issue will be emerged after comparing the achieved solutions by Numerical method (Runge-Kutte 4th) and so compare to other methods such as HPM, ADM,… and exact solutions. Eventually, AGM method will be proved that could be created huge evolution for researchers, professors and students (engineering and basic science) in whole over the world, because of AGM coding system, so by using this software we can analytically solve all complicated linear and nonlinear differential equations, with help of that there is no difficulty for solving nonlinear differential equations(ODE and PDE). In this paper, we investigate and solve 4 types of the nonlinear differential equation with AGM method : 1-Heat and fluid, 2-Unsteady state of nonlinear partial differential, 3-Coupled nonlinear partial differential in wave equation, and 4-Nonlinear integro-differential equation.Keywords: new method AGM, sets of coupled nonlinear equations at engineering field, waves equations, integro-differential, fluid and thermal
Procedia PDF Downloads 536942 Investigation of Minor Actinide-Contained Thorium Fuel Impacts on CANDU-Type Reactor Neutronics Using Computational Method
Authors: S. A. H. Feghhi, Z. Gholamzadeh, Z. Alipoor, C. Tenreiro
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Currently, thorium fuel has been especially noticed because of its proliferation resistance than long half-life alpha emitter minor actinides, breeding capability in fast and thermal neutron flux and mono-isotopic naturally abundant. In recent years, efficiency of minor actinide burning up in PWRs has been investigated. Hence, a minor actinide-contained thorium based fuel matrix can confront both proliferation resistance and nuclear waste depletion aims. In the present work, minor actinide depletion rate in a CANDU-type nuclear core modeled using MCNP code has been investigated. The obtained effects of minor actinide load as mixture of thorium fuel matrix on the core neutronics has been studiedwith comparingpresence and non-presence of minor actinide component in the fuel matrix.Depletion rate of minor actinides in the MA-contained fuel has been calculated using different power loads.According to the obtained computational data, minor actinide loading in the modeled core results in more negative reactivity coefficients. The MA-contained fuel achieves less radial peaking factor in the modeled core. The obtained computational results showed 140 kg of 464 kg initial load of minor actinide has been depleted in during a 6-year burn up in 10 MW power.Keywords: minor actinide burning, CANDU-type reactor, MCNPX code, neutronic parameters
Procedia PDF Downloads 450941 Oxyhydrogen Gas (HHO) as Replacement to Gasoline Fuel
Authors: Rishabh Pandey, Umang Kumar Yadav
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In today’s era of technological advancement, we come across incalculable innovations, almost every day. No doubt that the society has developed a lot in learning and technology, but we should also take into account the problems and inflictions that are occurring. Focusing on the petroleum sector a trending global concern is toward lowering fuel consumption and emissions. It is well known that gasoline is non-renewable source of energy and its burning produces harmful emissions which are adversely affecting the environment, such issues are motivating us to seek alternative solutions that would not require much modification in engine design and help us come out with an outcome. Keeping in mind the importance of environment and human race, we present a factious idea of use of oxyhydrogen gas or HHO gas in place of gasoline in the vehicles and petroleum industry. This technology is prospering, highly efficient, could be used economically and safe, and it will be responsible for changing the future of oil and gas sector in accordance with protection to the environment. In the coming future, we will check the compatibility of HHO generator with fuel engine for production of oxyhydrogen gas with use of water and effect of introducing HHO gas to the combustion on both thermal efficiency and specific fuel consumption. We will also work on the comparison of HHO gas and commercially available gasoline fuel in support of their chemical structures; ignition rate; octane rating; knocking properties; storage; transportation and cost effectiveness and it is trusted that use of HHO gas will be ecofriendly as no harmful emissions are produced, rather the only emission is water. Additionally, this paper will include the use of HHO cell in fuel engines and challenges faced in installing it in the current period and provide effective solutions for the same.Keywords: fuel, gas, generator, water
Procedia PDF Downloads 320940 An Equivalent Circuit Model Approach for Battery Pack Simulation in a Hybrid Electric Vehicle System Powertrain
Authors: Suchitra Sivakumar, Hajime Shingyouchi, Toshinori Okajima, Kyohei Yamaguchi, Jin Kusaka
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The progressing need for powertrain electrification calls for more accurate and reliable simulation models. A battery pack serves as the most vital component for energy storage in an electrified powertrain. Hybrid electric vehicles (HEV) do not behave the same way as they age, and there are several environmental factors that account for the degradation of the battery on a system level. Therefore, in this work, a battery model was proposed to study the state of charge (SOC) variation and the internal dynamic changes that contribute to aging and performance degradation in HEV batteries. An equivalent circuit battery model (ECM) is built using MATLAB Simulink to investigate the output characteristics of the lithium-ion battery. The ECM comprises of circuit elements like a voltage source, a series resistor and a parallel RC network connected in series. A parameter estimation study is conducted on the ECM to study the dependencies of the circuit elements with the state of charge (SOC) and the terminal voltage of the battery. The battery model is extended to simulate the temperature dependence of the individual battery cell and the battery pack with the environment. The temperature dependence model accounts for the heat loss due to internal resistance build up in the battery pack during charging, discharging, and due to atmospheric temperature. The model was validated for a lithium-ion battery pack with an independent drive cycle showing a voltage accuracy of 4% and SOC accuracy of about 2%.Keywords: battery model, hybrid electric vehicle, lithium-ion battery, thermal model
Procedia PDF Downloads 283939 A Study on the Failure Modes of Steel Moment Frame in Post-Earthquake Fire Using Coupled Mechanical-Thermal Analysis
Authors: Ehsan Asgari, Meisam Afazeli, Nezhla Attarchian
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Post-earthquake fire is considered as a major threat in seismic areas. After an earthquake, fire is possible in structures. In this research, the effect of post-earthquake fire on steel moment frames with and without fireproofing coating is investigated. For this purpose, finite element method is employed. For the verification of finite element results, the results of an experimental study carried out by previous researchers are used, and the predicted FE results are compared with the test results, and good agreement is observed. After ensuring the accuracy of the predictions of finite element models, the effect of post-earthquake fire on the frames is investigated taking into account the parameters including the presence or absence of fire protection, frame design assumptions, earthquake type and different fire scenario. Ordinary fire and post-earthquake fire effect on the frames is also studied. The plastic hinges induced by earthquake in the structure are determined in the beam to the column connection and in panel zone. These areas should be accurately considered when providing fireproofing coatings. The results of the study show that the occurrence of fire beside corner columns is the most damaging scenario that results in progressive collapse of structure. It was also concluded that the behavior of structure in fire after a strong ground motion is significantly different from that in a normal fire.Keywords: post earthquake fire, moment frame, finite element simulation, coupled temperature-displacement analysis, fire scenario
Procedia PDF Downloads 144938 Soret and Dufour's Effects on Mixed Convection Unsteady MHD Boundary Layer Flow over a Stretching Sheet Embedded in a Porous Medium with Chemically Reactive Spices
Authors: Deva Kanta Phukan
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An investigation is made to carry out to study the thermal-diffusion and diffusion thermo-effects in hydro-magnetic unsteady flow by a mixed convection boundary layer past an impermeable vertical stretching sheet embedded in a conducting fluid-saturated porous medium in the presence of a chemical reaction effect. The velocity of stretching surface, the surface temperature and the concentration are assumed to vary linearly with the distance along the surface. The governing partial differential equations are transformed in to self similar unsteady equations using similarity transformations and solved numerically by the Runge kutta fourth order scheme in association with the shooting method for the whole transient domain from the initial state to the final steady state flow. Numerical results for the velocity, temperature, the concentration, the skin friction , and the Nusselt and Sherwood numbers are shown graphically for various flow parameters. The results reveal that there is a smooth transition of flow from unsteady state to the final steady state. A special case of our results is in good agreement with an earlier published work.Keywords: heat and mass transfer, boundary layer flow, porous media, magnetic field, Soret number, Dufour’s number
Procedia PDF Downloads 439937 Improvement of Heat Pipe Thermal Performance in H-VAC Systems Using CFD Modeling
Authors: H. Shokouhmand, A. Ghanami
Abstract:
Heat pipe is simple heat transfer device which combines the conduction and phase change phenomena to control the heat transfer without any need for external power source. At hot surface of heat pipe, the liquid phase absorbs heat and changes to vapor phase. The vapor phase flows to condenser region and with the loss of heat changes to liquid phase. Due to gravitational force the liquid phase flows to evaporator section. In HVAC systems the working fluid is chosen based on the operating temperature. The heat pipe has significant capability to reduce the humidity in HVAC systems. Each HVAC system which uses heater, humidifier or dryer is a suitable nominate for the utilization of heat pipes. Generally heat pipes have three main sections: condenser, adiabatic region and evaporator.Performance investigation and optimization of heat pipes operation in order to increase their efficiency is crucial. In present article, a parametric study is performed to improve the heat pipe performance. Therefore, the heat capacity of heat pipe with respect to geometrical and confining parameters is investigated. For the better observation of heat pipe operation in HVAC systems, a CFD simulation in Eulerian- Eulerian multiphase approach is also performed. The results show that heat pipe heat transfer capacity is higher for water as working fluid with the operating temperature of 340 K. It is also showed that the vertical orientation of heat pipe enhances it’s heat transfer capacity used in the abstract.Keywords: heat pipe, HVAC system, grooved heat pipe, CFD simulation
Procedia PDF Downloads 417936 Improvement of Heat Pipes Thermal Performance in H-VAC Systems Using CFD Modeling
Authors: H. Shokouhmand, A. Ghanami
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Heat pipe is simple heat transfer device which combines the conduction and phase change phenomena to control the heat transfer without any need for external power source. At hot surface of heat pipe, the liquid phase absorbs heat and changes to vapor phase. The vapor phase flows to condenser region and with the loss of heat changes to liquid phase. Due to gravitational force the liquid phase flows to evaporator section.In HVAC systems the working fluid is chosen based on the operating temperature. The heat pipe has significant capability to reduce the humidity in HVAC systems. Each HVAC system which uses heater, humidifier or dryer is a suitable nominate for the utilization of heat pipes. Generally heat pipes have three main sections: condenser, adiabatic region and evaporator.Performance investigation and optimization of heat pipes operation in order to increase their efficiency is crucial. In present article, a parametric study is performed to improve the heat pipe performance. Therefore, the heat capacity of heat pipe with respect to geometrical and confining parameters is investigated. For the better observation of heat pipe operation in HVAC systems, a CFD simulation in Eulerian- Eulerian multiphase approach is also performed. The results show that heat pipe heat transfer capacity is higher for water as working fluid with the operating temperature of 340 K. It is also showed that the vertical orientation of heat pipe enhances it’s heat transfer capacity used in the abstract.Keywords: heat pipe, HVAC system, grooved heat pipe, heat pipe limits
Procedia PDF Downloads 357935 Hygrothermal Assessment of Internally Insulated Prefabricated Concrete Wall in Polish Climatic Condition
Authors: D. Kaczorek
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Internal insulation of external walls is often problematic due to increased moisture content in the wall and interstitial or surface condensation risk. In this paper, the hygrothermal performance of prefabricated, concrete, large panel, external wall typical for WK70 system, commonly used in Poland in the 70’s, with inside, additional insulation was investigated. Thermal insulation board made out of hygroscopic, natural materials with moisture buffer capacity and extruded polystyrene (EPS) board was used as interior insulation. Experience with this natural insulation is rare in Poland. The analysis was performed using WUFI software. First of all, the impact of various standard boundary conditions on the behavior of the different wall assemblies was tested. The comparison of results showed that the moisture class according to the EN ISO 13788 leads to too high values of total moisture content in the wall since the boundary condition according to the EN 15026 should be usually applied. Then, hygrothermal 1D-simulations were conducted by WUFI Pro for analysis of internally added insulation, and the weak point like the joint of the wall with the concrete ceiling was verified using 2D simulations. Results showed that, in the Warsaw climate and the indoor conditions adopted in accordance with EN 15026, in the tested wall assemblies, regardless of the type of interior insulation, there would not be any problems with moisture - inside the structure and on the interior surface.Keywords: concrete large panel wall, hygrothermal simulation, internal insulation, moisture related issues
Procedia PDF Downloads 157934 Evaluation of Barium Sulfate and Its Surface Modification as Reinforcing Filler for Natural and Some Synthetic Rubbers
Authors: Mohamad Abdelfattah Ibrahim Elghrbawy
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This work deals to evaluate barium sulfate (BS) before and after its surface modification as reinforcing filler for rubber. Barium sulfate was surface-modified using polymethacrylic acid (PMAA), the monolayer surface coverage of barium sulfate by polymethacrylic acid molecules occurred at 5.4x10-6 mol/g adsorbed amount. This amount was sufficient to reduce the sediment volume from 2.65 to 2.55 cm3/gm. Natural rubber (NR) was compounded with different concentrations of barium sulfate. The rheological characteristics of NR mixes were measured using a Monsanto Oscillating Disk Rheometer. The compounded NR was vulcanized at 142°C, and the physico-mechanical properties were tested according to the standard methods. The rheological data show that the minimum torque decreases while the maximum torque increases as the barium sulfate content increase. The physico-mechanical properties of NR vulcanizates were improved up to 50 phr/ barium sulfate loading. On the other hand, styrene–butadiene rubber (SBR) and nitrile–butadiene rubber (NBR) rubbers compounded with 50 phr/barium sulfate had good rheological and mechanical properties. Scanning electron microscope studies show surface homogeneity of rubber samples as a result of good dispersion of surface modified barium sulfate in the rubber matrix. The NR, SBR and NBR vulcanizates keep their values of mechanical properties after subjected to thermal oxidative aging at 90°C for 7 days.Keywords: barium sulfate, natural rubber (nr), nitrile–butadiene rubber (nbr), polymethacrylic acid (pmaa), styrene–butadiene rubber (sbr), surface modification
Procedia PDF Downloads 71933 Estimation of Energy Efficiency of Blue Hydrogen Production Onboard of Ships
Authors: Li Chin Law, Epaminondas Mastorakos, Mohd Roslee Othman, Antonis Trakakis
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The paper introduces an alternative concept of carbon capture for shipping by using pre-combustion carbon capture technology (Pre-CCS), which was proven to be less energy intensive than post-combustion carbon capture from the engine exhaust. Energy assessment on amine-based post-combustion CCS on LNG-fuelled ships showed that the energy efficiency of CCS ships reduced from 48% to 36.6%. Then, an energy assessment was carried out to compare the power and heat requirements of the most used hydrogen production methods and carbon capture technologies. Steam methane reformer (SMR) was found to be 20% more energy efficient and achieved a higher methane conversion than auto thermal reaction and methane decomposition. Next, pressure swing adsorber (PSA) has shown a lower energy requirement than membrane separation, cryogenic separation, and amine absorption in pre-combustion carbon capture. Hence, an integrated system combining SMR and PSA (SMR-PSA) with waste heat integration (WHR) was proposed. This optimized SMR-based integrated system has achieved 65% of CO₂ reduction with less than 7-percentage point of energy penalty (41.7% of energy efficiency). Further integration of post-combustion CCS with the SMR-PSA integrated system improved carbon capture rate to 86.3% with 9-percentage points of energy penalty (39% energy efficiency). The proposed system was shown to be able to meet the carbon reduction targets set by International Maritime Organization (IMO) with certain energy penalties.Keywords: shipping, decarbonisation, alternative fuels, low carbon, hydrogen, carbon capture
Procedia PDF Downloads 67932 Sedimentology and Geochemistry of Carbonate Bearing-Argillites on the Southeastern Flank of Mount Cameroon, Likomba
Authors: Chongwain G. Mbzighaa, Christopher M. Agyingi, Josepha-Forba-Tendo
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Background and aim: Sedimentological, geochemical and petrographic studies were carried out on carbonate-bearing argillites outcropping at the southeastern flank of Mount Cameroon (Likomba) to determine the lithofacies and their associations, major element geochemistry and mineralogy. Methods: Major elements of the rocks were analyzed using XRF technique. Thermal analysis and thin section studies were carried out accompanied with the determination of insoluble components of the carbonates. Results: The carbonates are classed as biomicrites with siderite being the major carbonate mineral. Clay, quartz and pyrite constitute the major insoluble components of these rocks. Geochemical results depict a broad variation in their concentrations with silica and iron showing the highest concentrations and sodium and manganese with the least concentrations. Two factors were revealed with the following elemental associations, Fe2O3-MgO-Mn2O3 (72.56 %) and TiO2-SiO2-Al2O3-K2O (23.20%) indicating both Fe-enrichment, the subsequent formation of the siderite and the contribution of the sediments to the formation of these rocks. Conclusion: The rocks consist of cyclic iron-rich carbonates alternating with sideritic-shales and might have been formed as a result of variations in the sea conditions as well as variation in sediment influx resulting from transgression and regression sequences occurring in a shallow to slightly deep marine environments.Keywords: sedimentology, geochemistry, petrography, iron carbonates, Likomba
Procedia PDF Downloads 435931 Improve Heat Pipes Thermal Performance In H-VAC Systems Using CFD Modeling
Authors: A. Ghanami, M.Heydari
Abstract:
Heat pipe is simple heat transfer device which combines the conduction and phase change phenomena to control the heat transfer without any need for external power source. At hot surface of heat pipe, the liquid phase absorbs heat and changes to vapor phase. The vapor phase flows to condenser region and with the loss of heat changes to liquid phase. Due to gravitational force the liquid phase flows to evaporator section. In HVAC systems the working fluid is chosen based on the operating temperature. The heat pipe has significant capability to reduce the humidity in HVAC systems. Each HVAC system which uses heater, humidifier or dryer is a suitable nominate for the utilization of heat pipes. Generally heat pipes have three main sections: condenser, adiabatic region and evaporator. Performance investigation and optimization of heat pipes operation in order to increase their efficiency is crucial. In present article, a parametric study is performed to improve the heat pipe performance. Therefore, the heat capacity of heat pipe with respect to geometrical and confining parameters is investigated. For the better observation of heat pipe operation in HVAC systems, a CFD simulation in Eulerian- Eulerian multiphase approach is also performed. The results show that heat pipe heat transfer capacity is higher for water as working fluid with the operating temperature of 340 K. It is also showed that the vertical orientation of heat pipe enhances it’s heat transfer capacity.used in the abstract.Keywords: Heat pipe, HVAC system, Grooved Heat pipe, Heat pipe limits.
Procedia PDF Downloads 472930 Microfluidic Construction of Responsive Photonic Microcapsules for Microsensors
Authors: Lingling Shui, Shuting Xie
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As alternatives to electronic devices, optically active structures from responsive nanomaterials offer great opportunity buildup smart functional sensors. Hereby, we report on droplet microfluidics enabled construction and application of photonic microcapsules (PMCs) for colorimetric temperature microsensors, enabling miniaturization for injectable local micro-area sensing and integration for large-area sensing. Monodispersed PMCs are produced by in-situ photopolymerization of hydrogel shells of cholesteric liquid crystal (CLC)-in-water-in-oil double emulsion droplets prepared using microfluidic devices, with controllable physical structures and chemical compositions. Constructed PMCs exhibit thermal responsive structural color according to the selective Bragg reflection of CLC’s periodical helical structures within the microdroplet’s spherical confinement. Constructed PMCs with tunable size and composition have been successfully applied for monitoring the living cell extracellular temperature via co-incubation with cell suspension, and for detecting human body temperature via a flexible device from assembled PMCs. These PMCs could be flexibly applied in either micro-environment or large-area surface, enabling wide applications for precision temperature monitoring biological activities (e.g. cells or organs), optoelectronic devices working conditions (e.g. temperature indicators under extreme conditions), and etc.Keywords: droplet, microfluidics, assembly, soft materials, microsensor
Procedia PDF Downloads 75929 A Two-Stage Process for the Sustainable Production of Aliphatic Polyesters
Authors: A. Douka, S. Vouyiouka, L. M. Papaspyridi, D. Korres, C. Papaspyrides
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A "green" process was studied for the preparation of partially renewable aliphatic polyesters based on 1,4-butanediol and 1,8-octanediol with various diacids and derivatives, namely diethyl succinate, adipic acid, sebacic acid, 1,12-dodecanedioic acid and 1,14-tetradecanedioic acid. A first step of enzymatic prepolymerization was carried out in the presence of two different solvents, toluene and diphenylether, applying molecular sieves and vacuum, respectively, to remove polycondensation by-products. Poly(octylene adipate) (PE 8.6), poly(octylene dodecanate)(PE 8.12) and poly(octylene tetradecanate) (PE 8.14) were firstly enzymatically produced in toluene using molecular sieves giving however, low-molecular-weight products. Thereafter, the synthesis of PE 8.12 and PE 8.14 was examined under optimized conditions using diphenylether as solvent and a more vigorous by-product removal step, such as application of vacuum. Apart from these polyesters, the optimized process was also implemented for the production of another long-chain polyester-poly(octylene sebacate) (PE 8.10) and a short-chain polyester-poly(butylene succinate) (PE 4.4). Subsequently, bulk post-polymerization in the melt or solid state was performed. SSP runs involved absence of biocatalyst and reaction temperatures (T) in the vicinity of the prepolymer melting point (Tm-T varied between 15.5 up to 4oC). Focusing on PE 4.4 and PE 8.12, SSP took place under vacuum or flowing nitrogen leading to increase of the molecular weight and improvement of the end product physical appearance and thermal properties.Keywords: aliphatic polyester, enzymatic polymerization, solid state polymerization, Novozym 435
Procedia PDF Downloads 315928 Multi-Modal Film Boiling Simulations on Adaptive Octree Grids
Authors: M. Wasy Akhtar
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Multi-modal film boiling simulations are carried out on adaptive octree grids. The liquid-vapor interface is captured using the volume-of-fluid framework adjusted to account for exchanges of mass, momentum, and energy across the interface. Surface tension effects are included using a volumetric source term in the momentum equations. The phase change calculations are conducted based on the exact location and orientation of the interface; however, the source terms are calculated using the mixture variables to be consistent with the one field formulation used to represent the entire fluid domain. The numerical model on octree representation of the computational grid is first verified using test cases including advection tests in severely deforming velocity fields, gravity-based instabilities and bubble growth in uniformly superheated liquid under zero gravity. The model is then used to simulate both single and multi-modal film boiling simulations. The octree grid is dynamically adapted in order to maintain the highest grid resolution on the instability fronts using markers of interface location, volume fraction, and thermal gradients. The method thus provides an efficient platform to simulate fluid instabilities with or without phase change in the presence of body forces like gravity or shear layer instabilities.Keywords: boiling flows, dynamic octree grids, heat transfer, interface capturing, phase change
Procedia PDF Downloads 239927 Large Eddy Simulation Approach for Unsteady Analysis of the Flow Behavior inside a Dual Counter Rotating Axial Swirler
Authors: Foad Vashahi, Shahnaz Rezaei, Jeekeun Lee
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Large Eddy Simulation (LES) was performed on a dual counter rotating axial swirler in a confined rectangular configuration. Grids were constructed based on a primary Reynolds Averaged Navier-Stokes (RANS) simulation and then were refined based on the Kolmogorov length scale. Water as cold flow condition was applied and results were compared via Particle Image Velocimetry (PIV) experimental results. The focus was to investigate the flow behavior within the region before the flare and very close to the exit of the swirler. This region contributes to a highly unsteady flow behavior and requires great attention to enhancing the flame stability in gas turbine combustor and swirl burners. The PVC formation within the central core flow is strongly related to the peaks of pressure or axial velocity spectrum and up to two distinct peaks at the swirler mouth could be observed. Here, spectra analysis in iso-thermal condition inside the swirler where the inner swirler dominates the flow, showed a higher potential of instabilities with three to four distinct peaks where moving forward to the exit of swirler the number of peaks is decreased. In addition to this, the central axis corresponds to no peaks of instabilities while further away in the radial direction, several peaks exist.Keywords: axial counter rotating swirler, large eddy simulation (LES), precessing vortex core (PVC), power spectral density (PSD)
Procedia PDF Downloads 272926 A Review on Microbial Enhanced Oil Recovery and Controlling Its Produced Hydrogen Sulfide Effects on Reservoir and Transporting Pipelines
Authors: Ali Haratian, Soroosh Emami Meybodi
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Using viable microbial cultures within hydrocarbon reservoirs so as to the enhancement of oil recovery through metabolic activities is exactly what we recognize as microbial enhanced oil recovery (MEOR). In similar to many other processes in industries, there are some cons and pros following with MEOR. The creation of sulfides such as hydrogen sulfide as a result of injecting the sulfate-containing seawater into hydrocarbon reservoirs in order to maintain the required reservoir pressure leads to production and growth of sulfate reducing bacteria (SRB) approximately near the injection wells, turning the reservoir into sour; however, SRB is not considered as the only microbial process stimulating the formation of sulfides. Along with SRB, thermochemical sulfate reduction or thermal redox reaction (TSR) is also known to be highly effective at resulting in having extremely concentrated zones of ?2S in the reservoir fluids eligible to cause corrosion. Owing to extent of the topic, more information on the formation of ?₂S is going to be put finger on. Besides, confronting the undesirable production of sulfide species in the reservoirs can lead to serious operational, environmental, and financial problems, in particular the transporting pipelines. Consequently, conjuring up reservoir souring control strategies on the way production of oil and gas is the only way to prevent possible damages in terms of environment, finance, and manpower which requires determining the compound’s reactivity, origin, and partitioning behavior. This article is going to provide a comprehensive review of progress made in this field and the possible advent of new strategies in this technologically advanced world of the petroleum industry.Keywords: corrosion, hydrogen sulfide, NRB, reservoir souring, SRB
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