Search results for: thermodynamic analysis
27486 Kinetics and Thermodynamics Adsorption of Phenolic Compounds on Organic-Inorganic Hybrid Mesoporous Material
Authors: Makhlouf Mourad, Messabih Sidi Mohamed, Bouchher Omar, Houali Farida, Benrachedi Khaled
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Mesoporous materials are very commonly used as adsorbent materials for removing phenolic compounds. However, the adsorption mechanism of these compounds is still poorly controlled. However, understanding the interactions mesoporous materials/adsorbed molecules is very important in order to optimize the processes of liquid phase adsorption. The difficulty of synthesis is to keep an orderly and cubic pore structure and achieve a homogeneous surface modification. The grafting of Si(CH3)3 was chosen, to transform hydrophilic surfaces hydrophobic surfaces. The aim of this work is to study the kinetics and thermodynamics of two volatile organic compounds VOC phenol (PhOH) and P hydroxy benzoic acid (4AHB) on a mesoporous material of type MCM-48 grafted with an organosilane of the Trimethylchlorosilane (TMCS) type, the material thus grafted or functionalized (hereinafter referred to as MCM-48-G). In a first step, the kinetic and thermodynamic study of the adsorption isotherms of each of the VOCs in mono-solution was carried out. In a second step, a similar study was carried out on a mixture of these two compounds. Kinetic models (pseudo-first order, pseudo-second order) were used to determine kinetic adsorption parameters. The thermodynamic parameters of the adsorption isotherms were determined by the adsorption models (Langmuir, Freundlich). The comparative study of adsorption of PhOH and 4AHB proved that MCM-48-G had a high adsorption capacity for PhOH and 4AHB; this may be related to the hydrophobicity created by the organic function of TMCS in MCM-48-G. The adsorption results for the two compounds using the Freundlich and Langmuir models show that the adsorption of 4AHB was higher than PhOH. The values obtained by the adsorption thermodynamics show that the adsorption interactions for our sample with the phenol and 4AHB are of a physical nature. The adsorption of our VOCs on the MCM-48 (G) is a spontaneous and exothermic process.Keywords: adsorption, kinetics, isotherm, mesoporous materials, Phenol, P-hydroxy benzoique acid
Procedia PDF Downloads 20127485 Electrohydrodynamic Study of Microwave Plasma PECVD Reactor
Authors: Keltoum Bouherine, Olivier Leroy
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The present work is dedicated to study a three–dimensional (3D) self-consistent fluid simulation of microwave discharges of argon plasma in PECVD reactor. The model solves the Maxwell’s equations, continuity equations for charged species and the electron energy balance equation, coupled with Poisson’s equation, and Navier-Stokes equations by finite element method, using COMSOL Multiphysics software. In this study, the simulations yield the profiles of plasma components as well as the charge densities and electron temperature, the electric field, the gas velocity, and gas temperature. The results show that the microwave plasma reactor is outside of local thermodynamic equilibrium.The present work is dedicated to study a three–dimensional (3D) self-consistent fluid simulation of microwave discharges of argon plasma in PECVD reactor. The model solves the Maxwell’s equations, continuity equations for charged species and the electron energy balance equation, coupled with Poisson’s equation, and Navier-Stokes equations by finite element method, using COMSOL Multiphysics software. In this study, the simulations yield the profiles of plasma components as well as the charge densities and electron temperature, the electric field, the gas velocity, and gas temperature. The results show that the microwave plasma reactor is outside of local thermodynamic equilibrium.Keywords: electron density, electric field, microwave plasma reactor, gas velocity, non-equilibrium plasma
Procedia PDF Downloads 32527484 Thermodynamic Evaluation of Coupling APR-1400 with a Thermal Desalination Plant
Authors: M. Gomaa Abdoelatef, Robert M. Field, Lee, Yong-Kwan
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Growing human populations have placed increased demands on water supplies and a heightened interest in desalination infrastructure. Key elements of the economics of desalination projects are thermal and electrical inputs. With growing concerns over the use of fossil fuels to (indirectly) supply these inputs, coupling of desalination with nuclear power production represents a significant opportunity. Individually, nuclear and desalination technologies have a long history and are relatively mature. For desalination, Reverse Osmosis (RO) has the lowest energy inputs. However, the economically driven output quality of the water produced using RO, which uses only electrical inputs, is lower than the output water quality from thermal desalination plants. Therefore, modern desalination projects consider that RO should be coupled with thermal desalination technologies (MSF, MED, or MED-TVC) with attendant steam inputs to permit blending to produce various qualities of water. A large nuclear facility is well positioned to dispatch large quantities of both electrical and thermal power. This paper considers the supply of thermal energy to a large desalination facility to examine heat balance impact on the nuclear steam cycle. The APR1400 nuclear plant is selected as prototypical from both a capacity and turbine cycle heat balance perspective to examine steam supply and the impact on electrical output. Extraction points and quantities of steam are considered parametrically along with various types of thermal desalination technologies to form the basis for further evaluations of economically optimal approaches to the interface of nuclear power production with desalination projects. In our study, the thermodynamic evaluation will be executed by DE-TOP which is the IAEA desalination program, it is approved to be capable of analyzing power generation systems coupled to desalination systems through various steam extraction positions, taking into consideration the isolation loop between the APR-1400 and the thermal desalination plant for safety concern.Keywords: APR-1400, desalination, DE-TOP, IAEA, MSF, MED, MED-TVC, RO
Procedia PDF Downloads 52427483 Efficiency of Membrane Distillation to Produce Fresh Water
Authors: Sabri Mrayed, David Maccioni, Greg Leslie
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Seawater desalination has been accepted as one of the most effective solutions to the growing problem of a diminishing clean drinking water supply. Currently, two desalination technologies dominate the market – the thermally driven multi-stage flash distillation (MSF) and the membrane based reverse osmosis (RO). However, in recent years membrane distillation (MD) has emerged as a potential alternative to the established means of desalination. This research project intended to determine the viability of MD as an alternative process to MSF and RO for seawater desalination. Specifically the project involves conducting a thermodynamic analysis of the process based on the second law of thermodynamics to determine the efficiency of the MD. Data was obtained from experiments carried out on a laboratory rig. In order to determine exergy values required for the exergy analysis, two separate models were built in Engineering Equation Solver – the ’Minimum Separation Work Model’ and the ‘Stream Exergy Model’. The efficiency of MD process was found to be 17.3 %, and the energy consumption was determined to be 4.5 kWh to produce one cubic meter of fresh water. The results indicate MD has potential as a technique for seawater desalination compared to RO and MSF. However, it was shown that this was only the case if an alternate energy source such as green or waste energy was available to provide the thermal energy input to the process. If the process was required to power itself, it was shown to be highly inefficient and in no way thermodynamically viable as a commercial desalination process.Keywords: desalination, exergy, membrane distillation, second law efficiency
Procedia PDF Downloads 35727482 Design Approach of the Turbocompressor for Aerospace Industry
Authors: Halil Baris Cit, Mert Durmaz
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Subsequent to the design of the compact centrifugal compressor, which is specifically intended to be used in aviation platforms, the process has been evaluated within the context of this study. A trade-off study matrix for future studies has been formed after making comparison between the design and the previous studies taking part in literature. While the power consumption of the designed compressor will be approximately 25 kW, the working fluid will be refrigerant. Properties such as thermodynamic properties and Global Warmin Potential(GWP)-Ozone Depletion Potential(ODP) Values of the fluid have been taken into consideration during the selection process of the refrigerant. Concepts NREC and ANSYS Vista CCD software have been used in the part of conceptual design, and R1233ZD has been selected as the refrigerant. Real-gas Computational Fluid Dynamic(CFD) analysis has been carried out with different cubic equations of state in the ANSYS CFX solver so as to figure out the most suitable solution method. These equations are named as “The Redlich Kwong”, “Soave Redlich Kwong”, “Augnier Redlick Kwong,” and “Peng Robinson.” By being used the mentioned solution equations in the same compressor configuration, analysis also have been carried out with two gases having different characteristics. As a result of the 12 analysis carried out with three different refrigerants—R11, R134A, and R1233zd—and four different solution equations mentioned above, the most accurate solution method has been selected by comparing the densities of the gases at different pressure and temperature points. The results have been analyzed within two titles following to the completion of the design with the selected equation. The first one is a trade-off study matrix presenting a comparison regarding the compact centrifugal compressor operating with the refrigerant to be designed. This comparison is between some dimensionless and dimensional parameters determined before the design and their values in the literature. Second one will show the differences between the actual density and the density in the design software in each real gas analysis method, along with the effects of it on the design.Keywords: turbocompressor, refrigerant, aviation, aerospace compressor
Procedia PDF Downloads 8627481 First Principle-Based Dft and Microkinetic Simulation of Co-Conversion of Carbon Dioxide and Methane on Single Iridium Atom Doped Hematite with Surface Oxygen Defect
Authors: Kefale W. Yizengaw, Delele Worku Ayele, Jyh-Chiang Jiang
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The catalytic co-conversion of CO₂ and CH₄ to value-added compounds has become one of the promising approaches to addressing global climate change by having valuable fossil fuels. Thedirect co-conversion of CO₂ and CH₄ to value-added compounds is attractive but tremendously challenging because of both molecules' thermodynamic stability and kinetic inertness. In the present study, a single iridium atom doped and a single oxygen atom defect hematite (110)surface model catalyst, which can comprehend direct C–O coupling based on simultaneous activation of CO2 and CH4 was studied using density functional theory plus U (DFT + U)calculations. The presence of dual active sites on the Ir/Fe₂O₃(110)-OV surface catalyst enablesCO₂ activation on the Ir site and CH₄ activation at the defect site. The electron analysis for the theco-adsorption of CO₂ and CH₄ deals with the electron redistribution on the surface and clearly shows the synergistic effect for simultaneous CO₂ and CH₄ activation on Ir/α- Fe₂O₃(110)-OVsurface. The microkinetic analysis shows that the dissociation of CH4 to CH3 * and H* plays an excellent role in the C–O coupling. The coverage analysis for the intermediate products of the microkinetic simulation results indicates that C–O coupling is the reaction limiting step. Finally, after the CH₃O* intermediate product species is produced, the radical hydrogen species spontaneously diffuse to the CH3O* intermediate product to form methanol at around 490 [K]. The present work provides mechanistic and kinetic insights into the direct C–O coupling of CO₂and CH₄, which could help design more-efficient catalysts.Keywords: co-conversion, C–O coupling, doping, oxygen vacancy, microkinetic
Procedia PDF Downloads 10827480 Modulated Bioavailability of an Anti HIV Drug through a Self-Nanoemulsifying Drug Delivery System
Authors: Sunit Kumar Sahoo, Prakash Chandra Senapati
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The main drawback to design drug delivery systems with BCS class II drugs is their low bioavailabilty due to their inherent low permeability characteristics. So the present investigation aspire to develop a self-nanoemulsifying drug delivery system (SNEDDS) of BCS class II anti HIV drug efavirenz (EFZ) using mixtures of non-ionic surfactant mixtures with the main objective to improve the oral bioavailability of said drug. Results obtained from solubility studies of EFZ in various expients utilized for construction of the pseudo ternary phase diagram containing surfactant mixtures. Surfactants in 1:1 combination are used with different co-surfactants in different ratio to delineate the area of monophasic region of the pseudo ternary phase diagram. The formulations which offered positive results in different thermodynamic stability studies were considered for percentage transmittance and turbidity analysis. The various characterization studies like the TEM analysis of post diluted SNEDDS formulations r confirmed the size in nanometric range (below 50 nm) and FT-IR studies confirmed the intactness of the drug the in the preconcentrate. The in vitro dissolution profile of SNEDDS showed that 80% drug was released within 30 min in case of optimized SNEDDS while it was approximately 18.3 % in the case of plain drug powder.. The Pharmacokinetic study using rat model revealed a 2.63 fold increase in AUC (0-∞) in comparison to plain EFZ suspension. The designed delivery system illustrated the confidence in creating a formulation of EFZ with enhanced bioavailability for better HIV treatment.Keywords: efavirenz, self-nanoemulsifying, surfactant mixture, bioavailability
Procedia PDF Downloads 34627479 Using Geospatial Analysis to Reconstruct the Thunderstorm Climatology for the Washington DC Metropolitan Region
Authors: Mace Bentley, Zhuojun Duan, Tobias Gerken, Dudley Bonsal, Henry Way, Endre Szakal, Mia Pham, Hunter Donaldson, Chelsea Lang, Hayden Abbott, Leah Wilcynzski
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Air pollution has the potential to modify the lifespan and intensity of thunderstorms and the properties of lightning. Using data mining and geovisualization, we investigate how background climate and weather conditions shape variability in urban air pollution and how this, in turn, shapes thunderstorms as measured by the intensity, distribution, and frequency of cloud-to-ground lightning. A spatiotemporal analysis was conducted in order to identify thunderstorms using high-resolution lightning detection network data. Over seven million lightning flashes were used to identify more than 196,000 thunderstorms that occurred between 2006 - 2020 in the Washington, DC Metropolitan Region. Each lightning flash in the dataset was grouped into thunderstorm events by means of a temporal and spatial clustering algorithm. Once the thunderstorm event database was constructed, hourly wind direction, wind speed, and atmospheric thermodynamic data were added to the initiation and dissipation times and locations for the 196,000 identified thunderstorms. Hourly aerosol and air quality data for the thunderstorm initiation times and locations were also incorporated into the dataset. Developing thunderstorm climatologies using a lightning tracking algorithm and lightning detection network data was found to be useful for visualizing the spatial and temporal distribution of urban augmented thunderstorms in the region.Keywords: lightning, urbanization, thunderstorms, climatology
Procedia PDF Downloads 6627478 Biosorption Kinetics, Isotherms, and Thermodynamic Studies of Copper (II) on Spirogyra sp.
Authors: Diwan Singh
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The ability of non-living Spirogyra sp. biomass for biosorption of copper(II) ions from aqueous solutions was explored. The effect of contact time, pH, initial copper ion concentration, biosorbent dosage and temperature were investigated in batch experiments. Both the Freundlich and Langmuir Isotherms were found applicable on the experimental data (R2>0.98). Qmax obtained from the Langmuir Isotherms was found to be 28.7 mg/g of biomass. The values of Gibbs free energy (ΔGº) and enthalpy change (ΔHº) suggest that the sorption is spontaneous and endothermic at 20ºC-40ºC.Keywords: biosorption, Spirogyra sp., contact time, pH, dose
Procedia PDF Downloads 41827477 Sensitivity Analysis of the Heat Exchanger Design in Net Power Oxy-Combustion Cycle for Carbon Capture
Authors: Hirbod Varasteh, Hamidreza Gohari Darabkhani
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The global warming and its impact on climate change is one of main challenges for current century. Global warming is mainly due to the emission of greenhouse gases (GHG) and carbon dioxide (CO2) is known to be the major contributor to the GHG emission profile. Whilst the energy sector is the primary source for CO2 emission, Carbon Capture and Storage (CCS) are believed to be the solution for controlling this emission. Oxyfuel combustion (Oxy-combustion) is one of the major technologies for capturing CO2 from power plants. For gas turbines, several Oxy-combustion power cycles (Oxyturbine cycles) have been investigated by means of thermodynamic analysis. NetPower cycle is one of the leading oxyturbine power cycles with almost full carbon capture capability from a natural gas fired power plant. In this manuscript, sensitivity analysis of the heat exchanger design in NetPower cycle is completed by means of process modelling. The heat capacity variation and supercritical CO2 with gaseous admixtures are considered for multi-zone analysis with Aspen Plus software. It is found that the heat exchanger design has a major role to increase the efficiency of NetPower cycle. The pinch-point analysis is done to extract the composite and grand composite curve for the heat exchanger. In this paper, relationship between the cycle efficiency and the minimum approach temperature (∆Tmin) of the heat exchanger has also been evaluated. Increase in ∆Tmin causes a decrease in the temperature of the recycle flue gases (RFG) and an overall decrease in the required power for the recycled gas compressor. The main challenge in the design of heat exchangers in power plants is a tradeoff between the capital and operational costs. To achieve lower ∆Tmin, larger size of heat exchanger is required. This means a higher capital cost but leading to a better heat recovery and lower operational cost. To achieve this, ∆Tmin is selected from the minimum point in the diagrams of capital and operational costs. This study provides an insight into the NetPower Oxy-combustion cycle’s performance analysis and operational condition based on its heat exchanger design.Keywords: carbon capture and storage, oxy-combustion, netpower cycle, oxy turbine cycles, zero emission, heat exchanger design, supercritical carbon dioxide, oxy-fuel power plant, pinch point analysis
Procedia PDF Downloads 20027476 Exergy Analysis of a Vapor Absorption Refrigeration System Using Carbon Dioxide as Refrigerant
Authors: Samsher Gautam, Apoorva Roy, Bhuvan Aggarwal
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Vapor absorption refrigeration systems can replace vapor compression systems in many applications as they can operate on a low-grade heat source and are environment-friendly. Widely used refrigerants such as CFCs and HFCs cause significant global warming. Natural refrigerants can be an alternative to them, among which carbon dioxide is promising for use in automotive air conditioning systems. Its inherent safety, ability to withstand high pressure and high heat transfer coefficient coupled with easy availability make it a likely choice for refrigerant. Various properties of the ionic liquid [bmim][PF₆], such as non-toxicity, stability over a wide temperature range and ability to dissolve gases like carbon dioxide, make it a suitable absorbent for a vapor absorption refrigeration system. In this paper, an absorption chiller consisting of a generator, condenser, evaporator and absorber was studied at an operating temperature of 70⁰C. A thermodynamic model was set up using the Peng-Robinson equations of state to predict the behavior of the refrigerant and absorbent pair at different points in the system. A MATLAB code was used to obtain the values of enthalpy and entropy at selected points in the system. The exergy destruction in each component and exergetic coefficient of performance (ECOP) of the system were calculated by performing an exergy analysis based on the second law of thermodynamics. Graphs were plotted between varying operating conditions and the ECOP obtained in each case. The effect of every component on the ECOP was examined. The exergetic coefficient of performance was found to be lesser than the coefficient of performance based on the first law of thermodynamics.Keywords: [bmim][PF₆] as absorbent, carbon dioxide as refrigerant, exergy analysis, Peng-Robinson equations of state, vapor absorption refrigeration
Procedia PDF Downloads 27827475 Repurposing of Crystalline Solar PV For Sodium Silicate Production
Authors: Lawal Alkasim, Clement M. Gonah, Zainab S. Aliyu
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This work is focus on recovering silicon form photovoltaic cells and repurposing it toward the use in glass, ceramics or glass ceramics as it is made up of silicon material. Silicon is the main back-bone and responsible for the thermodynamic properties of glass, ceramics and glass ceramics materials. Antireflection silicon is soluble in hot alkali. Successfully the recovered material composed of silicon and silicon nitride of the A.R, with a small amount of silver, Aluminuim, lead & copper in the sunshine of crystalline/non-crystalline silicon solar cell. Aquaregia is used to remove the silver, Aluminium, lead & copper. The recovered material treated with hot alkali highly concentrated to produce sodium silicate, which is an alkali silicate glass (water glass). This type of glass is produced through chemical process, unlike other glasses that are produced through physical process of melting and non-crystalline solidification. It has showed a property of being alkali silicate glass from its solubility in water and insoluble in alcohol. The XRF analysis shows the presence of sodium silicate.Keywords: unrecyclable solar PV, crystalline silicon, hot conc. alkali, sodium silicate
Procedia PDF Downloads 8927474 Method of Estimating Absolute Entropy of Municipal Solid Waste
Authors: Francis Chinweuba Eboh, Peter Ahlström, Tobias Richards
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Entropy, as an outcome of the second law of thermodynamics, measures the level of irreversibility associated with any process. The identification and reduction of irreversibility in the energy conversion process helps to improve the efficiency of the system. The entropy of pure substances known as absolute entropy is determined at an absolute reference point and is useful in the thermodynamic analysis of chemical reactions; however, municipal solid waste (MSW) is a structurally complicated material with unknown absolute entropy. In this work, an empirical model to calculate the absolute entropy of MSW based on the content of carbon, hydrogen, oxygen, nitrogen, sulphur, and chlorine on a dry ash free basis (daf) is presented. The proposed model was derived from 117 relevant organic substances which represent the main constituents in MSW with known standard entropies using statistical analysis. The substances were divided into different waste fractions; namely, food, wood/paper, textiles/rubber and plastics waste and the standard entropies of each waste fraction and for the complete mixture were calculated. The correlation of the standard entropy of the complete waste mixture derived was found to be somsw= 0.0101C + 0.0630H + 0.0106O + 0.0108N + 0.0155S + 0.0084Cl (kJ.K-1.kg) and the present correlation can be used for estimating the absolute entropy of MSW by using the elemental compositions of the fuel within the range of 10.3% ≤ C ≤ 95.1%, 0.0% ≤ H ≤ 14.3%, 0.0% ≤ O ≤ 71.1%, 0.0 ≤ N ≤ 66.7%, 0.0% ≤ S ≤ 42.1%, 0.0% ≤ Cl ≤ 89.7%. The model is also applicable for the efficient modelling of a combustion system in a waste-to-energy plant.Keywords: absolute entropy, irreversibility, municipal solid waste, waste-to-energy
Procedia PDF Downloads 30127473 The Study of Wetting Properties of Silica-Poly (Acrylic Acid) Thin Film Coatings
Authors: Sevil Kaynar Turkoglu, Jinde Zhang, Jo Ann Ratto, Hanna Dodiuk, Samuel Kenig, Joey Mead
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Superhydrophilic, crack-free thin film coatings based on silica nanoparticles were fabricated by dip-coating method. Both thermodynamic and dynamic effects on the wetting properties of the thin films were investigated by modifying the coating formulation via changing the particle-to-binder ratio and weight % of silica in solution. The formulated coatings were characterized by a number of analyses. Water contact angle (WCA) measurements were conducted for all coatings to characterize the surface wetting properties. Scanning electron microscope (SEM) images were taken to examine the morphology of the coating surface. Atomic force microscopy (AFM) analysis was done to study surface topography. The presence of hydrophilic functional groups and nano-scale roughness were found to be responsible for the superhydrophilic behavior of the films. In addition, surface chemistry, compared to surface roughness, was found to be a primary factor affecting the wetting properties of the thin film coatings.Keywords: poly (acrylic acid), silica nanoparticles, superhydrophilic coatings, surface wetting
Procedia PDF Downloads 12927472 Experimental Study of CO₂ Hydrate Formation in Presence of Different Promotors
Authors: Samaneh Soroush, Tommy Golczynski, Tony Spratt
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One of the new technologies for CO₂ capture, storage, and utilization (CCSU) is forming clathrate hydrate. This technology has some unknowns and challenges that make it difficult to apply in the real world. The low formation rate is one of the main difficulties of CO₂ hydrate. In this work, the effect of different promotors on the hydrate formation rate has been studied. Two surfactants, sodium dodecyl sulfate (SDS), tetra-n-butylammonium bromide (TBAB), and cyclopentane (CP) as a thermodynamic promotor and their combination have been used for the experiments. The results showed that the SDS is a powerful kinetic promotor and its combination with CP helps to convert more CO₂ to hydrate in a short time.Keywords: carbon capture, carbon dioxide, hydrate, promotor
Procedia PDF Downloads 24627471 Thermal Conductivity and Diffusivity of Alternative Refrigerants as Retrofit for Freon 12
Authors: Mutalubi Aremu Akintunde, John Isa
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The negative impact on the atmosphere, of chlorofluorocarbon refrigerants (CFC) radical changes and measures were put in place to replace them. This has led to search for alternative refrigerants over the past decades. This paper presents thermal conductivity, diffusivity and performance of two alternative refrigerants as replacement to R12, which has been a versatile refrigerant which had turned the refrigeration industries around for decades, but one of the offensive refrigerants. The new refrigerants were coded RA1 (50%R600a/50%R134a;) and RA2 (70%R600a/30%R134a). The diffusivities for RA1 and RA2 were estimated to be, 2.76384 X 10-8 m2/s and 2.74386 X 10-8 m2/s respectively, while that of R12 under the same experimental condition is 2.43772 X 10-8 m2/s. The performances of the two refrigerants in a refrigerator initially designed for R12, were very close to that of R12. Other thermodynamic parameters showed that R12 can be replaced with both RA1 and RA2.Keywords: alternative refrigerants, conductivity, diffusivity, performance, refrigerants
Procedia PDF Downloads 15827470 Batch Kinetic, Isotherm and Thermodynamic Studies of Copper (II) Removal from Wastewater Using HDL as Adsorbent
Authors: Nadjet Taoualit, Zoubida Chemat, Djamel-Eddine Hadj-Boussaad
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This study aims the removal of copper Cu (II) contained in wastewater by adsorption on a perfect synthesized mud. It is the materials Hydroxides Double Lamellar, HDL, prepared and synthesized by co-precipitation method at constant pH, which requires a simple titration assembly, with an inexpensive and available material in the laboratory, and also allows us better control of the composition of the reaction medium, and gives well crystallized products. A characterization of the adsorbent proved essential. Thus a range of physic-chemical analysis was performed including: FTIR spectroscopy, X-ray diffraction… The adsorption of copper ions was investigated in dispersed medium (batch). A systematic study of various parameters (amount of support, contact time, initial copper concentration, temperature, pH…) was performed. Adsorption kinetic data were tested using pseudo-first order, pseudo-second order, Bangham's equation and intra-particle diffusion models. The equilibrium data were analyzed using Langmuir, Freundlich, Tempkin and other isotherm models at different doses of HDL. The thermodynamics parameters were evaluated at different temperatures. The results have established good potentiality for the HDL to be used as a sorbent for the removal of Copper from wastewater.Keywords: adsoption, copper, HDL, isotherm
Procedia PDF Downloads 26727469 Theoretical Study of the Mechanism of the Oxidation of Linoleic Acid by 1O2
Authors: Rayenne Djemil
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The mechanism of oxidation reaction of linoleic acid C18: 2 (9 cis12) by singlet oxygen 1O2 were theoretically investigated via using quantum chemical methods. We explored the four reaction pathways at PM3, Hartree-Fock HF and, B3LYP functional associated with the base 6-31G (d) level. The results are in favor of the first and the last reaction ways. The transition states were found by QST3 method. Thus the pathways between the transition state structures and their corresponding minima have been identified by the IRC calculations. The thermodynamic study showed that the four ways of oxidation of linoleic acid are spontaneous, exothermic and, the enthalpy values confirm that conjugate hydroperoxydes are the most favorable products.Keywords: echanism, quantum mechanics, oxidation, linoleic acid H
Procedia PDF Downloads 43727468 Plasma Chemical Gasification of Solid Fuel with Mineral Mass Processing
Authors: V. E. Messerle, O. A. Lavrichshev, A. B. Ustimenko
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Currently and in the foreseeable future (up to 2100), the global economy is oriented to the use of organic fuel, mostly, solid fuels, the share of which constitutes 40% in the generation of electric power. Therefore, the development of technologies for their effective and environmentally friendly application represents a priority problem nowadays. This work presents the results of thermodynamic and experimental investigations of plasma technology for processing of low-grade coals. The use of this technology for producing target products (synthesis gas, hydrogen, technical carbon, and valuable components of mineral mass of coals) meets the modern environmental and economic requirements applied to basic industrial sectors. The plasma technology of coal processing for the production of synthesis gas from the coal organic mass (COM) and valuable components from coal mineral mass (CMM) is highly promising. Its essence is heating the coal dust by reducing electric arc plasma to the complete gasification temperature, when the COM converts into synthesis gas, free from particles of ash, nitrogen oxides and sulfur. At the same time, oxides of the CMM are reduced by the carbon residue, producing valuable components, such as technical silicon, ferrosilicon, aluminum and carbon silicon, as well as microelements of rare metals, such as uranium, molybdenum, vanadium, titanium. Thermodynamic analysis of the process was made using a versatile computation program TERRA. Calculations were carried out in the temperature range 300 - 4000 K and a pressure of 0.1 MPa. Bituminous coal with the ash content of 40% and the heating value 16,632 kJ/kg was taken for the investigation. The gaseous phase of coal processing products includes, basically, a synthesis gas with a concentration of up to 99 vol.% at 1500 K. CMM components completely converts from the condensed phase into the gaseous phase at a temperature above 2600 K. At temperatures above 3000 K, the gaseous phase includes, basically, Si, Al, Ca, Fe, Na, and compounds of SiO, SiH, AlH, and SiS. The latter compounds dissociate into relevant elements with increasing temperature. Complex coal conversion for the production of synthesis gas from COM and valuable components from CMM was investigated using a versatile experimental plant the main element of which was plug and flow plasma reactor. The material and thermal balances helped to find the integral indicators for the process. Plasma-steam gasification of the low-grade coal with CMM processing gave the synthesis gas yield 95.2%, the carbon gasification 92.3%, and coal desulfurization 95.2%. The reduced material of the CMM was found in the slag in the form of ferrosilicon as well as silicon and iron carbides. The maximum reduction of the CMM oxides was observed in the slag from the walls of the plasma reactor in the areas with maximum temperatures, reaching 47%. The thusly produced synthesis gas can be used for synthesis of methanol, or as a high-calorific reducing gas instead of blast-furnace coke as well as power gas for thermal power plants. Reduced material of CMM can be used in metallurgy.Keywords: gasification, mineral mass, organic mass, plasma, processing, solid fuel, synthesis gas, valuable components
Procedia PDF Downloads 60427467 Analytical Description of Disordered Structures in Continuum Models of Pattern Formation
Authors: Gyula I. Tóth, Shaho Abdalla
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Even though numerical simulations indeed have a significant precursory/supportive role in exploring the disordered phase displaying no long-range order in pattern formation models, studying the stability properties of this phase and determining the order of the ordered-disordered phase transition in these models necessitate an analytical description of the disordered phase. First, we will present the results of a comprehensive statistical analysis of a large number (1,000-10,000) of numerical simulations in the Swift-Hohenberg model, where the bulk disordered (or amorphous) phase is stable. We will show that the average free energy density (over configurations) converges, while the variance of the energy density vanishes with increasing system size in numerical simulations, which suggest that the disordered phase is a thermodynamic phase (i.e., its properties are independent of the configuration in the macroscopic limit). Furthermore, the structural analysis of this phase in the Fourier space suggests that the phase can be modeled by a colored isotropic Gaussian noise, where any instant of the noise describes a possible configuration. Based on these results, we developed the general mathematical framework of finding a pool of solutions to partial differential equations in the sense of continuous probability measure, which we will present briefly. Applying the general idea to the Swift-Hohenberg model we show, that the amorphous phase can be found, and its properties can be determined analytically. As the general mathematical framework is not restricted to continuum theories, we hope that the proposed methodology will open a new chapter in studying disordered phases.Keywords: fundamental theory, mathematical physics, continuum models, analytical description
Procedia PDF Downloads 12527466 Phase Diagram Including a Negative Pressure Region for a Thermotropic Liquid Crystal in a Metal Berthelot Tube
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Thermodynamic properties of liquids under negative pressures are interesting and important in fields of scienceand technology. Here, phase transitions of a thermotropic liquid crystal are investigatedin a range from positive to negative pressures with a metal Berthelot tube using a commercial pressure transducer.Two co-existinglines, namely crystal (Kr) – nematic (N), and isotropic liquid (I) - nematic (N) lines, weredrawn in a pressure - temperature plane. The I-N line was drawn to ca. -5 (MPa).Keywords: Berthelot method, liquid crystal, negative pressure, phase transitions
Procedia PDF Downloads 39927465 Electrochemical Studies of the Inhibition Effect of 2-Dimethylamine on the Corrosion of Austenitic Stainless Steel Type 304 in Dilute Hydrochloric Acid
Authors: Roland Tolulope Loto, Cleophas Akintoye Loto, Abimbola Patricia Popoola
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The inhibiting action of 2-dimethylamine on the electrochemical behaviour of austenitic stainless steel (type 304) in dilute hydrochloric was evaluated through weight-loss method, open circuit potential measurement and potentiodynamic polarization tests at specific concentrations of the organic compound. Results obtained reveal that the compound performed effectively giving a maximum inhibition efficiency of 79% at 12.5% concentration from weight loss analysis and 80.9% at 12.5% concentration from polarization tests. The average corrosion potential of -321 mV was obtained the same concentration from other tests which is well within passivation potentials on the steel thus, providing good protection against corrosion in the acid solutions. 2-dimethylamine acted through physiochemical interaction at the steel/solution interface from thermodynamic calculations and obeyed the Langmuir adsorption isotherm. The values of the inhibition efficiency determined from the three methods are in reasonably good agreement. Polarization studies showed that the compounds behaved as cathodic type inhibitor.Keywords: corrosion, 2-dimethylamine, inhibition, adsorption, hydrochloric acid, steel
Procedia PDF Downloads 30927464 Electrochemical Studies of Some Schiff Bases on the Corrosion of Steel in H2SO4 Solution
Authors: Ahmed A. Farag, M. A. Hgazy
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The influence of three Schiff bases (SB-I, SB-II, and SB-III) on the corrosion of carbon steel in 0.5 M H2SO4 solution was studied by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques. The inhibition efficiency increases with the concentration of the Schiff bases and follow the trend: SB-III > SB-II > SB-I. Tafel polarization measurements revealed that the three tested inhibitors function as anodic inhibitors. The thermodynamic parameters Kads and ΔGºads are calculated and discussed. The Langmuir isotherm equation was found to provide an accurate description of the adsorption behaviour of the investigated Schiff bases. Depending on the results, the inhibitive mechanism was proposed.Keywords: Schiff bases, corrosion inhibitors, EIS, adsorption
Procedia PDF Downloads 53327463 Optimization of Turbocharged Diesel Engines
Authors: Ebrahim Safarian, Kadir Bilen, Akif Ceviz
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The turbocharger and turbocharging have been the inherent component of diesel engines, so that critical parameters of such engines, as BSFC(Brake Specific Fuel Consumption) or thermal efficiency, fuel consumption, BMEP(Brake Mean Effective Pressure), the power density output and emission level have been improved extensively. In general, the turbocharger can be considered as the most complex component of diesel engines, because it has closely interrelated turbomachinery concepts of the turbines and the compressors to thermodynamic fundamentals of internal combustion engines and stress analysis of all components. In this paper, a waste gate for a conventional single stage radial turbine is investigated by consideration of turbochargers operation constrains and engine operation conditions, without any detail designs in the turbine and the compressor. Amount of opening waste gate which extended between the ranges of full opened and closed valve, is demonstrated by limiting compressor boost pressure ratio. Obtaining of an optimum point by regard above mentioned items is surveyed by three linked meanline modeling programs together which consist of Turbomatch®, Compal®, Rital®madules in concepts NREC® respectively.Keywords: turbocharger, wastegate, diesel engine, concept NREC programs
Procedia PDF Downloads 23627462 Frustration Measure for Dipolar Spin Ice and Spin Glass
Authors: Konstantin Nefedev, Petr Andriushchenko
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Usually under the frustrated magnetics, it understands such materials, in which ones the interaction between located magnetic moments or spins has competing character, and can not to be satisfied simultaneously. The most well-known and simplest example of the frustrated system is antiferromagnetic Ising model on the triangle. Physically, the existence of frustrations means, that one cannot select all three pairs of spins anti-parallel in the basic unit of the triangle. In physics of the interacting particle systems, the vector models are used, which are constructed on the base of the pair-interaction law. Each pair interaction energy between one-component vectors can take two opposite in sign values, excluding the case of zero. Mathematically, the existence of frustrations in system means that it is impossible to have all negative energies of pair interactions in the Hamiltonian even in the ground state (lowest energy). In fact, the frustration is the excitation, which leaves in system, when thermodynamics does not work, i.e. at the temperature absolute zero. The origin of the frustration is the presence at least of one ''unsatisfied'' pair of interacted spins (magnetic moments). The minimal relative quantity of these excitations (relative quantity of frustrations in ground state) can be used as parameter of frustration. If the energy of the ground state is Egs, and summary energy of all energy of pair interactions taken with a positive sign is Emax, that proposed frustration parameter pf takes values from the interval [0,1] and it is defined as pf=(Egs+Emax)/2Emax. For antiferromagnetic Ising model on the triangle pf=1/3. We calculated the parameters of frustration in thermodynamic limit for different 2D periodical structures of Ising dipoles, which were on the ribs of the lattice and interact by means of the long-range dipolar interaction. For the honeycomb lattice pf=0.3415, triangular - pf=0.2468, kagome - pf=0.1644. All dependencies of frustration parameter from 1/N obey to the linear law. The given frustration parameter allows to consider the thermodynamics of all magnetic systems from united point of view and to compare the different lattice systems of interacting particle in the frame of vector models. This parameter can be the fundamental characteristic of frustrated systems. It has no dependence from temperature and thermodynamic states, in which ones the system can be found, such as spin ice, spin glass, spin liquid or even spin snow. It shows us the minimal relative quantity of excitations, which ones can exist in system at T=0.Keywords: frustrations, parameter of order, statistical physics, magnetism
Procedia PDF Downloads 16527461 Green Synthesis (Using Environment Friendly Bacteria) of Silver-Nanoparticles and Their Application as Drug Delivery Agents
Authors: Sutapa Mondal Roy, Suban K. Sahoo
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The primary aim of this work is to synthesis silver nanoparticles (AgNPs) through environmentally benign routes to avoid any chemical toxicity related undesired side effects. The nanoparticles were stabilized with drug ciprofloxacin (Cp) and were studied for their effectiveness as drug delivery agent. Targeted drug delivery improves the therapeutic potential of drugs at the diseased site as well as lowers the overall dose and undesired side effects. The small size of nanoparticles greatly facilitates the transport of active agents (drugs) across biological membranes and allows them to pass through the smallest capillaries in the body that are 5-6 μm in diameter, and can minimize possible undesired side effects. AgNPs are non-toxic, inert, stable, and has a high binding capacity and thus can be considered as biomaterials. AgNPs were synthesized from the nutrient broth supernatant after the culture of environment-friendly bacteria Bacillus subtilis. The AgNPs were found to show the surface plasmon resonance (SPR) band at 425 nm. The Cp capped Ag nanoparticles formation was complete within 30 minutes, which was confirmed from absorbance spectroscopy. Physico-chemical nature of the AgNPs-Cp system was confirmed by Dynamic Light Scattering (DLS), Transmission Electron Microscopy (TEM) etc. The AgNPs-Cp system size was found to be in the range of 30-40 nm. To monitor the kinetics of drug release from the surface of nanoparticles, the release of Cp was carried out by careful dialysis keeping AgNPs-Cp system inside the dialysis bag at pH 7.4 over time. The drug release was almost complete after 30 hrs. During the drug delivery process, to understand the AgNPs-Cp system in a better way, the sincere theoretical investigation is been performed employing Density Functional Theory. Electronic charge transfer, electron density, binding energy as well as thermodynamic properties like enthalpy, entropy, Gibbs free energy etc. has been predicted. The electronic and thermodynamic properties, governed by the AgNPs-Cp interactions, indicate that the formation of AgNPs-Cp system is exothermic i.e. thermodynamically favorable process. The binding energy and charge transfer analysis implies the optimum stability of the AgNPs-Cp system. Thus, the synthesized Cp-Ag nanoparticles can be effectively used for biological purposes due to its environmentally benign routes of synthesis procedures, which is clean, biocompatible, non-toxic, safe, cost-effective, sustainable and eco-friendly. The Cp-AgNPs as biomaterials can be successfully used for drug delivery procedures due to slow release of drug from nanoparticles over a considerable period of time. The kinetics of the drug release show that this drug-nanoparticle assembly can be effectively used as potential tools for therapeutic applications. The ease of synthetic procedure, lack of possible chemical toxicity and their biological activity along with excellent application as drug delivery agent will open up vista of using nanoparticles as effective and successful drug delivery agent to be used in modern days.Keywords: silver nanoparticles, ciprofloxacin, density functional theory, drug delivery
Procedia PDF Downloads 38127460 Optimization of Solar Rankine Cycle by Exergy Analysis and Genetic Algorithm
Authors: R. Akbari, M. A. Ehyaei, R. Shahi Shavvon
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Nowadays, solar energy is used for energy purposes such as the use of thermal energy for domestic, industrial and power applications, as well as the conversion of the sunlight into electricity by photovoltaic cells. In this study, the thermodynamic simulation of the solar Rankin cycle with phase change material (paraffin) was first studied. Then energy and exergy analyses were performed. For optimization, a single and multi-objective genetic optimization algorithm to maximize thermal and exergy efficiency was used. The parameters discussed in this paper included the effects of input pressure on turbines, input mass flow to turbines, the surface of converters and collector angles on thermal and exergy efficiency. In the organic Rankin cycle, where solar energy is used as input energy, the fluid selection is considered as a necessary factor to achieve reliable and efficient operation. Therefore, silicon oil is selected for a high-temperature cycle and water for a low-temperature cycle as an operating fluid. The results showed that increasing the mass flow to turbines 1 and 2 would increase thermal efficiency, while it reduces and increases the exergy efficiency in turbines 1 and 2, respectively. Increasing the inlet pressure to the turbine 1 decreases the thermal and exergy efficiency, and increasing the inlet pressure to the turbine 2 increases the thermal efficiency and exergy efficiency. Also, increasing the angle of the collector increased thermal efficiency and exergy. The thermal efficiency of the system was 22.3% which improves to 33.2 and 27.2% in single-objective and multi-objective optimization, respectively. Also, the exergy efficiency of the system was 1.33% which has been improved to 1.719 and 1.529% in single-objective and multi-objective optimization, respectively. These results showed that the thermal and exergy efficiency in a single-objective optimization is greater than the multi-objective optimization.Keywords: exergy analysis, genetic algorithm, rankine cycle, single and multi-objective function
Procedia PDF Downloads 14227459 Performance Analysis of Modified Solar Water Heating System for Climatic Condition of Allahabad, India
Authors: Kirti Tewari, Rahul Dev
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Solar water heating is a thermodynamic process of heating water using sunlight with the help of solar water heater. Thus, solar water heater is a device used to harness solar energy. In this paper, a modified solar water heating system (MSWHS) has been proposed over flat plate collector (FPC) and Evacuated tube collector (ETC). The modifications include selection of materials other than glass, and glass wool which are conventionally used for fabricating FPC and ETC. Some modifications in design have also been proposed. Its collector is made of double layer of semi-cylindrical acrylic tubes and fibre reinforced plastic (FRP) insulation base. Water tank is made of double layer of acrylic sheet except base and north wall. FRP is used in base and north wall of the water tank. A concept of equivalent thickness has been utilised for calculating the dimensions of collector plate, acrylic tube and tank. A thermal model for the proposed design of MSWHS is developed and simulation is carried out on MATLAB for the capacity of 200L MSWHS having collector area of 1.6 m2, length of acrylic tubes of 2m at an inclination angle 25° which is taken nearly equal to the latitude of the given location. Latitude of Allahabad is 24.45° N. The results show that the maximum temperature of water in tank and tube has been found to be 71.2°C and 73.3°C at 17:00hr and 16:00hr respectively in March for the climatic data of Allahabad. Theoretical performance analysis has been carried out by varying number of tubes of collector, the tank capacity and climatic data for given months of winter and summer.Keywords: acrylic, fibre reinforced plastic, solar water heating, thermal model, conventional water heaters
Procedia PDF Downloads 33427458 Design and Analysis of a Combined Cooling, Heating and Power Plant for Maximum Operational Flexibility
Authors: Salah Hosseini, Hadi Ramezani, Bagher Shahbazi, Hossein Rabiei, Jafar Hooshmand, Hiwa Khaldi
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Diversity of energy portfolio and fluctuation of urban energy demand establish the need for more operational flexibility of combined Cooling, Heat, and Power Plants. Currently, the most common way to achieve these specifications is the use of heat storage devices or wet operation of gas turbines. The current work addresses using variable extraction steam turbine in conjugation with a gas turbine inlet cooling system as an alternative way for enhancement of a CCHP cycle operating range. A thermodynamic model is developed and typical apartments building in PARDIS Technology Park (located at Tehran Province) is chosen as a case study. Due to the variable Heat demand and using excess chiller capacity for turbine inlet cooling purpose, the mentioned steam turbine and TIAC system provided an opportunity for flexible operation of the cycle and boosted the independence of the power and heat generation in the CCHP plant. It was found that the ratio of power to the heat of CCHP cycle varies from 12.6 to 2.4 depending on the City heating and cooling demands and ambient condition, which means a good independence between power and heat generation. Furthermore, selection of the TIAC design temperature is done based on the amount of ratio of power gain to TIAC coil surface area, it was found that for current cycle arrangement the TIAC design temperature of 15 C is most economical. All analysis is done based on the real data, gathered from the local weather station of the PARDIS site.Keywords: CCHP plant, GTG, HRSG, STG, TIAC, operational flexibility, power to heat ratio
Procedia PDF Downloads 27427457 Synthesis, Density Functional Theory (DFT) and Antibacterial Studies of Highly Functionalized Novel Spiropyrrolidine 4-Quinolone-3-Carboxylic Acids Derived from 6-Acetyl Quinolone
Authors: Thangaraj Arasakumar, Athar Ata, Palathurai Subramaniam Mohan
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A series of novel 4-quinolone-3-carboxylic acid grafted spiropyrrolidines as new type of antibacterial agents were synthesized via multicomponent 1,3-dipolar cycloaddition reaction of an azomethine ylides with a newly prepared (E)-4-oxo-6-(3-phenyl-acryloyl)-1,4-dihydro-quinoline-3-carboxylic acids in high regioselectivity with good yields. The structure of cycloadduct characterized by FT IR, mass, 1H, 13C, 2D NMR techniques and elemental analysis. Structure and spectrometry of compound 8a has been investigated theoretically by using HF and DFT approach at B3LYP, M05-2x/6-31G* levels of theories. The optimized geometries and calculated vibrational frequencies are evaluated via comparison with experimental values. A good agreement is found between the measured and calculated values. The DFT studies support the molecular mechanism of this cycloaddition reaction and determine the molecular electrostatic potential and thermodynamic properties. Furthermore, the antibacterial activities of synthesized compounds were evaluated against Gram-positive bacteria (Staphylococcus aureus, Bacillus subtilis) and Gram-negative bacteria strains (Escherichia coli, Klebsiella pneumoniae). Among 21 compounds screened, 8f and 8p were found to be more active against tested bacteria.Keywords: antibacterial activity, azomethine ylide, DFT calculation, spirooxindole
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