Search results for: thermodynamic properties

Authors: Hosein Shokohmand, Mahmood Hosein Zare, Abdorreza Qolibeik

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In this paper, the effects of thermodynamic, hydrodynamic and geometric of an air cooled condenser on COP of vapor compression cycle are investigated for a fixed condenser facing surface area. The system is utilized with a scroll compressor, modeled based on thermodynamic and heat transfer equations employing Matlab software. The working refrigerant is R134a whose thermodynamic properties are called from Engineering Equation Software. This simulation shows that vapor compression cycle can be designed by different configurations and COPs, economical and optimum working condition can be obtained via considering these parameters.

Keywords: Vapor compression cycle, air cooled condenser, COP, heat exchanger, thermal modeling.

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Authors: D. Adhikari, R. P. Koirala, B.P. Singh

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A self-association model has been used to understand the concentration dependence of free energy of mixing (GM), heat of mixing (HM), entropy of mixing (SM), activity (a) and microscopic structures, such as concentration fluctuation in long wavelength limit (Scc(0)) and Warren-Cowley short range order parameter ( 1 α )for Cu- Tl molten alloys at 1573K. A comparative study of surface tension of the alloys in the liquid state at that temperature has also been carried out theoretically as function of composition in the light of Butler-s model, Prasad-s model and quasi-chemical approach. Most of the computed thermodynamic properties have been found in agreement with the experimental values. The analysis reveals that the Cu-Tl molten alloys at 1573K represent a segregating system at all concentrations with moderate interaction. Surface tensions computed from different approaches have been found to be comparable to each other showing increment with the composition of copper.

Keywords: Concentration fluctuations, surface tension, thermodynamic properties, Quasi-chemical approximation.

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Authors: Kyoung Hoon Kim

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A thermodynamic analysis of a partial evaporating Rankine cycle with regeneration using zeotropic ammonia-water mixture as a working fluid is presented in this paper. The thermodynamic laws were applied to evaluate the system performance. Based on the thermodynamic model, the effects of the vapor quality and the ammonia mass fraction on the system performance were extensively investigated. The results showed that thermal efficiency has a peak value with respect to the vapor quality as well as the ammonia mass fraction. The partial evaporating ammonia based Rankine cycle has a potential to improve recovery of low-grade finite heat source.

Keywords: Ammonia-water, Rankine cycle, partial evaporating, thermodynamic performance.

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Authors: Mohammad Reza Mobinipouya, Zahra Barzegar

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Accurate and comprehensive thermodynamic properties of pure and mixture of refrigerants are in demand by both producers and users of these materials. Information about thermodynamic properties is important initially to qualify potential candidates for working fluids in refrigeration machinery. From practical point of view, Refrigerants and refrigerant mixtures are widely used as working fluids in many industrial applications, such as refrigerators, heat pumps, and power plants The present work is devoted to evaluating seven cubic equations of state (EOS) in predicting gas and liquid phase volumetric properties of nine ozone-safe refrigerants both in super and sub-critical regions. The evaluations, in sub-critical region, show that TWU and PR EOS are capable of predicting PVT properties of refrigerants R32 within 2%, R22, R134a, R152a and R143a within 1% and R123, R124, R125, TWU and PR EOS's, from literature data are 0.5% for R22, R32, R152a, R143a, and R125, 1% for R123, R134a, and R141b, and 2% for R124. Moreover, SRK EOS predicts PVT properties of R22, R125, and R123 to within aforementioned errors. The remaining EOS's predicts volumetric properties of this class of fluids with higher errors than those above mentioned which are at most 8%.In general, the results are in favor of the preference of TWU and PR EOS over other remaining EOS's in predicting densities of all mentioned refrigerants in both super and sub critical regions. Typically, this refrigerant is known to offer advantages such as ozone depleting potential equal to zero, Global warming potential equal to 140, and no toxic.

Keywords: Refrigerant, cooling systems, Sub-CriticalRegions, volumetric properties, efficiency.

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Authors: Vera Varazashvili, Murman Tsarakhov, Tamar Mirianashvili, Teimuraz Pavlenishvili, Tengiz Machaladze, Mzia Khundadze

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Standard Gibbs energy of formation ΔGfor(298.15) of lanthanide-iron double oxides of garnet-type crystal structure R3Fe5O12 - RIG (R – are rare earth ions) from initial oxides are evaluated. The calculation is based on the data of standard entropies S298.15 and standard enthalpies ΔH298.15 of formation of compounds which are involved in the process of garnets synthesis. Gibbs energy of formation is presented as temperature function ΔGfor(T) for the range 300-1600K. The necessary starting thermodynamic data were obtained from calorimetric study of heat capacity – temperature functions and by using the semi-empirical method for calculation of ΔH298.15 of formation. Thermodynamic functions for standard temperature – enthalpy, entropy and Gibbs energy - are recommended as reference data for technological evaluations. Through the structural series of rare earth-iron garnets the correlation between thermodynamic properties and characteristics of lanthanide ions are elucidated.

Keywords: Calorimetry, entropy, enthalpy, heat capacity, gibbs energy of formation, rare earth iron garnets.

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Authors: Seok Hong Min, Tae Kwon Ha

Abstract:

High strength Fe-36Ni-base Invar alloys containing Al contents up to 0.3 weight percent were cast into ingots and thermodynamic equilibrium during solidification has been investigated in this study. From the thermodynamic simulation using Thermo-Calc®, it has been revealed that equilibrium phases which can be formed are two kinds of MC-type precipitates, MoC, and M₂C carbides. The mu phase was also expected to form by addition of aluminum. Microstructure observation revealed the coarse precipitates in the as-cast ingots, which was non-equilibrium phase and could be resolved by the successive heat treatment. With increasing Al contents up to 0.3 wt.%, tensile strength of Invar alloy increased as 1400MPa after cold rolling and thermal expansion coefficient increased significantly. Cold rolling appeared to dramatically decrease thermal expansion coefficient.

Keywords: Invar alloy, Aluminum, Phase equilibrium, thermal expansion coefficient, microstructure, tensile properties.

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Authors: Hyung T. Kwak, Jun Gao, Yao An, Alfred Kleinhammes, Yue Wu

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Surface wettability is a crucial factor in oil recovery. In oil industry, the rock wettability involves the interplay between water, oil, and solid surface. Therefore, studying the interplay between adsorptions of water and hydrocarbon molecules on solid surface would be very informative for understanding rock wettability. Here we use the in-situ Nuclear Magnetic Resonance (NMR) gas isotherm technique to study competitive adsorptions of water and isopropanol, an intermediate step from hydrocarbons. This in-situ NMR technique obtains information on thermodynamic properties such as the isotherm, molecular dynamics via spin relaxation measurements, and adsorption kinetics such as how fast the system can reach thermal equilibrium after changes of vapor pressures. Using surfaces of silica glass beads, which can be modified from hydrophilic to hydrophobic, we obtained information on the influence of surface hydrophilicity on the state of surface water via obtained thermodynamic and dynamic properties.

Keywords: Competitive adsorption, nuclear magnetic resonance, wettability.

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Authors: A. D. Parekh, P. R. Tailor

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The Montreal protocol and Kyoto protocol underlined the need of substitution of CFC’s and HCFC’s due to their adverse impact on atmospheric ozone layer which protects earth from U.V rays. The CFCs have been entirely ruled out since 1995 and a long-term basis HCFCs must be replaced by 2020. All this events motivated HFC refrigerants which are harmless to ozone layer. In this paper thermodynamic analysis of cascade refrigeration system has been done using three different refrigerant pairs R13-R12, R290-R23, and R404A-R23. Effect of various operating parameters i.e. evaporator temperature, condenser temperature, temperature difference in cascade condenser and low temperature cycle condenser temperature on performance parameters viz. COP, exergetic efficiency and refrigerant mass flow ratio have been studied. Thermodynamic analysis shows that out of three refrigerant pairs R12-R13, R290-R23 and R404A-R23 the COP of R290-R23 refrigerant pair is highest.

Keywords: Thermodynamic analysis, cascade refrigeration system, COP, exergetic efficiency.

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Authors: S. Arpit, P. K. Das, S. K. Dash

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In this paper, a comparative study is done between two fuels, naphtha and natural gas (NG), for a gas turbine (GT) plant of 32.5 MW with the same thermodynamic configuration. From the energy analysis, it is confirmed that the turbine inlet temperature (TIT) of the gas turbine in the case of natural gas is higher as compared to naphtha, and hence the isentropic efficiency of the turbine is better. The result from the exergy analysis also confirms that due to high turbine inlet temperature in the case of natural gas, exergy destruction in combustion chamber is less. But comparing two fuels for overall analysis, naphtha has higher energy and exergetic efficiency as compared to natural gas.

Keywords: Exergy, gas turbine, naphtha, natural gas.

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Authors: Dariush Jafari, S. Mostafa Nowee

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In this study a ternary system containing sodium chloride as solute, water as primary solvent and ethanol as the antisolvent was considered to investigate the application of artificial neural network (ANN) in prediction of sodium solubility in the mixture of water as the solvent and ethanol as the antisolvent. The system was previously studied using by Extended UNIQUAC model by the authors of this study. The comparison between the results of the two models shows an excellent agreement between them (R2=0.99), and also approves the capability of ANN to predict the thermodynamic behavior of ternary electrolyte systems which are difficult to model.

Keywords: Thermodynamic modeling, ANN, solubility, ternary electrolyte system.

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Authors: Kyoung Hoon Kim

Abstract:

The absorption power generation cycle based on the ammonia-water mixture has attracted much attention for efficient recovery of low-grade energy sources. In this paper a thermodynamic performance analysis is carried out for a Kalina cycle using ammonia-water mixture as a working fluid for efficient conversion of low-temperature heat source in the form of sensible energy. The effects of the source temperature on the system performance are extensively investigated by using the thermodynamic models. The results show that the source temperature as well as the ammonia mass fraction affects greatly on the thermodynamic performance of the cycle.

Keywords: Ammonia-water mixture, Kalina cycle, low-grade heat source, source temperature.

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Authors: Linghui Zhu, Junjie Gu

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Thermal-driven refrigeration systems have attracted increasing research and development interest in recent years. These systems do not cause ozone depletion and can reduce demand on electricity. The main objective of this work is to perform theoretical analyses of a thermal-driven refrigeration system using a new sorbent-sorptive pair as the working pair. The active component of sorbent is sodium thiocyanate (NaSCN). Ammonia (NH3) is chosen as sorptive. Based on the thermodynamic properties of the working solution, a mathematical model is introduced to analyze the system characteristics and performance. The results are used to compare with other thermal-driven refrigeration systems. It is shown that the advantages provided by this system over other absorption units include lower generator and evaporator temperatures, a higher coefficient of performance (COP). The COP is about 10 percent higher than the ones for the NH3-H2O system working at the same conditions.

Keywords: Absorption; Ammonia-Sodium thiocyanate, Exergy, coefficient of performance (COP)

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Authors: T. Zergoug, S.H. Abaidia, A. Nedjar, M. Y. Mokeddem

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Physical properties of uranium dinitride (UN2) were investigated in detail using first principle calculations based on density functional theory (DFT). To study the strong correlation effects due to 5f uranium valence electrons, the on-site coulomb interaction correction U via the Hubbard-like term (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard-U is strong like Young modulus but for others it is weakly noticeable such as bulk modulus. We noticed also that from U=7.5 eV, elastic results don’t agree with the cubic cell because of the C44 values which turn out to be negative.

Keywords: Ab initio, bulk modulus, DFT, DFT + U.

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Authors: Seok Hong Min, Tae Kwon Ha

Abstract:

With the increasing interest on Ti alloys, the extraction process of Ti from its typical ore, TiO₂, has long been and will be important issue. As an intermediate product for the production of pigment or titanium metal sponge, tetrachloride (TiCl₄) is produced by fluidized bed using high TiO₂ feedstock. The purity of TiCl₄ after chlorination is subjected to the quality of the titanium feedstock. Since the impurities in the TiCl₄ product are reported to final products, the purification process of the crude TiCl₄ is required. The purification process includes fractional distillation and chemical treatment, which depends on the nature of the impurities present and the required quality of the final product. In this study, thermodynamic analysis on the impurity effect in the chlorination process, which is the first step of extraction of Ti from TiO₂, has been conducted. All thermodynamic calculations were performed using the FactSage thermodynamical software.

Keywords: Rutile, titanium, chlorination process, impurities, thermodynamic calculation, FactSage.

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Authors: Akbar Zamaniyan, Alireza Behroozsarand, Hadi Ebrahimi

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Partial oxidation (POX) of light hydrocarbons (e.g. methane) is occurred in the first part of the autothermal reformer (ATR). The results of the detailed modeling of the reformer based on the thermodynamic model of the POX and 1D heterogeneous catalytic model for the fixed bed section are considered here. According to the results, the overall performance of the ATR can be improved by changing the important feed parameters.

Keywords: Autothermal Reformer, Partial Oxidation, Mathematical Modeling, Process Simulation, Syngas.

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Authors: L. A. S. Dionel, B. A. P. Santos, V. C. P. Lopes, L. G. Vasconcelos, M. A. Soares, E. B. Morais

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This study investigated the biosorption of the azo dye reactive Black B (RBB) from aqueous solution using the nonviable biomass of Cladosporium cladosporioides LM1. The biosorption systems were carried out in batch mode considering different conditions of initial pH, contact time, temperature, initial dye concentration and biosorbent dosage. Higher removal rate of RBB was obtained at pH 2. Biosorption data were successfully described by pseudo-second-order kinetic model and Langmuir isotherm model with the maximum monolayer biosorption capacity estimated at 71.43 mg/g. The values of thermodynamic parameters such as ∆G°, ∆H° and ∆S° indicated that the biosorption of RBB onto fungal biomass was spontaneous and exothermic in nature. It can be concluded that nonviable biomass of Cladosporium cladosporioides LM1 may be an attractive low-cost biosorbent for the removal of azo dye RBB from aqueous solution.

Keywords: Color removal, isotherms and kinetics models, thermodynamic studies, fungus.

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Authors: Carlos A. D. Torres, Antonio D. Delgado

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In this work we study the thermodynamic behavior of some ventilated facades under summer operating conditions in Southern Spain. Under these climatic conditions, indoor comfort implies a high energetic demand due to high temperatures that usually are reached in this season in the considered geographical area.

The aim of this work is to determine if during summer operating conditions in Southern Spain, ventilated façades provide some energy saving compared to the non-ventilated façades and to deduce their behavior patterns in terms of energy efficiency.

The modelization of the air flow in the channel has been performed by using Navier-Stokes equations for thermodynamic flows. Numerical simulations have been carried out with a 2D Finite Element approach.

This way, we analyze the behavior of ventilated façades under different weather conditions as variable wind, variable temperature and different levels of solar irradiation.

CFD computations show the combined effect of the shading of the external wall and the ventilation by the natural convection into the air gap achieve a reduction of the heat load during the summer period. This reduction has been evaluated by comparing the thermodynamic performances of two ventilated and two unventilated façades with the same geometry and thermophysical characteristics.

Keywords: Passive cooling, ventilated façades, energy-efficient building, CFD, FEM.

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Authors: Ehsan Ghanaei, Feridun Esmaeilzadeh, Jamshid Fathi Kaljahi

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In the previous multi-solid models,¤ò approach is used for the calculation of fugacity in the liquid phase. For the first time, in the proposed multi-solid thermodynamic model,γ approach has been used for calculation of fugacity in the liquid mixture. Therefore, some activity coefficient models have been studied that the results show that the predictive Wilson model is more appropriate than others. The results demonstrate γ approach using the predictive Wilson model is in more agreement with experimental data than the previous multi-solid models. Also, by this method, generates a new approach for presenting stability analysis in phase equilibrium calculations. Meanwhile, the run time in γ approach is less than the previous methods used ¤ò approach. The results of the new model present 0.75 AAD % (Average Absolute Deviation) from the experimental data which is less than the results error of the previous multi-solid models obviously.

Keywords: Multi-solid thermodynamic model, PredictiveWilson model, Wax formation.

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Authors: Mohammad Hamdan, Emad Elnajjar

Abstract:

The LHP is a two-phase device with extremely high effective thermal conductivity that utilizes the thermodynamic pressure difference to circulate a cooling fluid. A thermodynamics analytical model is developed to explore different parameters effects on a Loop Heat Pipe (LHP).. The effects of pipe length, pipe diameter, condenser temperature, and heat load are reported. As pipe length increases and/or pipe diameter decreases, a higher temperature is expected in the evaporator.

Keywords: Loop Heat Pipe, LHP, Passive Cooling, CapillaryForce.

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Authors: Jeni A. Popescu, Ionut Porumbel, Valeriu A. Vilag, Cleopatra F. Cuciumita

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The paper presents a thermodynamic cycle analysis for three turboshaft engines. The first cycle is a Brayton cycle, describing the evolution of a classical turboshaft, based on the Klimov TV2 engine. The other four cycles aim at approaching an Ericsson cycle, by replacing the Brayton cycle adiabatic expansion in the turbine by quasi-isothermal expansion. The maximum quasi- Ericsson cycles temperature is set to a lower value than the maximum Brayton cycle temperature, equal to the Brayton cycle power turbine inlet temperature, in order to decrease the engine NOx emissions. Also, the power/expansion ratio distribution over the stages of the gas generator turbine is maintained the same. In two of the considered quasi-Ericsson cycles, the efficiencies of the gas generator turbine, as well as the power/expansion ratio distribution over the stages of the gas generator turbine are maintained the same as for the reference case, while for the other two cases, the efficiencies are increased in order to obtain the same shaft power as in the reference case. For the two cases respecting the first condition, both the shaft power and the thermodynamic efficiency of the engine decrease, while for the other two, the power and efficiency are maintained, as a result of assuming new, more efficient gas generator turbines.

Keywords: Combustion, Ericsson, thermodynamic analysis, turbine.

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Authors: Gil Hwan Na , Woo Young Jung , Tae Kwon Ha

Abstract:

Most buildings have been using anchor bolts commonly for installing outdoor advertising structures. Anchor bolts of common carbon steel are widely used and often installed indiscriminately by inadequate installation standards. In the area where strong winds frequently blow, falling accidents of outdoor advertising structures can occur and cause a serious disaster, which is very dangerous and to be prevented. In this regard, the development of high-performance anchor bolts is urgently required. In the present study, 25Cr-8Ni-1.5Si-1Mn-0.4C alloy was produced by traditional vacuum induction melting (VIM) for the application of anchor bolt. The alloy composition is revealed as a duplex microstructure from thermodynamic phase analysis by FactSage® and confirmed by metallographic experiment. Addition of Nitrogen to the alloy was found to reduce the ferritic phase domain and significantly increase the hardness and the tensile strength. Microstructure observation revealed mixed structure of austenite and ferrite with fine carbide distributed along the grain and phase boundaries.

Keywords: Anchor bolt, Duplex stainless steel, FactSage®, Hardness, Thermodynamic phase analysis.

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Authors: Kemal Çomakli, Uğur Çakir

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This research evaluated and compared the thermodynamic performance of heat pump systems which can be run under two different modes as air to air and air to water by using only one compressor. To achieve this comparison an experimental performance study was made on a traditional vapor compressed heat pump system that can be run air to air mode and air to water mode by help of a valve. The experiments made under different thermal conditions. Thermodynamic performance of the systems are presented and compared with each other for different working conditions.

Keywords: Air source heat pump, Energy Analysis, Heat Pump

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Authors: Mohamed M. M. Elnasharty, Azhar M. Elwan

Abstract:

Irradiation deposits energy through ionisation changing the bio-system’s net dipole, allowing the use of dielectric parameters and thermodynamic state functions related to these parameters as biophysical detectors to electrical inhomogeneity within the biosystem. This part is concerned with the effect of Moringa leaves extract, natural supplement, on the response of the biosystem to two different dose rates of irradiation. Having Hb molecule as a representative to the biosystem to be least invasive to the biosystem, dielectric measurements were used to extract the relaxation time of certain process found in the Hb spectrum within the indicated frequency window and the interrelated thermodynamic state functions were calculated from the deduced relaxation time. The results showed that relaxation time was decreased for both dose rates indicating a strong influence of Moringa on the response of biosystem and consequently Hb molecule. This influence was presented in the relaxation time and other parameters as well.

Keywords: Activation energy, DC conductivity, dielectric relaxation, enthalpy change, moringa leaves extract, relaxation time.

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Authors: Thulane Paepae, Tumisang Seodigeng

Abstract:

This paper demonstrates the use of a method of synthesizing process flowsheets using a graphical tool called the GH-plot and in particular, to look at how it can be used to compare the reactions of a combined simultaneous process with regard to their thermodynamics. The technique uses fundamental thermodynamic principles to allow the mass, energy and work balances locate the attainable region for chemical processes in a reactor. This provides guidance on what design decisions would be best suited to developing new processes that are more effective and make lower demands on raw material and energy usage.

Keywords: Attainable region, dimethyl ether synthesis, mass balance, optimal reaction networks.

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Authors: Kyoung Hoon Kim

Abstract:

Recently ORC(Organic Rankine Cycle) has attracted much attention due to its potential in reducing consumption of fossil fuels and its favorable characteristics to exploit low-grade heat sources. In this work thermodynamic performance of ORC with superheating of vapor is comparatively assessed for various working fluids. Special attention is paid to the effects of system parameters such as the evaporating temperature and the turbine inlet temperature on the characteristics of the system such as maximum possible work extraction from the given source, volumetric flow rate per 1 kW of net work and quality of the working fluid at turbine exit as well as thermal and exergy efficiencies. Results show that for a given source the thermal efficiency increases with decrease of the superheating but exergy efficiency may have a maximum value with respect to the superheating of the working fluid. Results also show that in selection of working fluid it is required to consider various criteria of performance characteristics as well as thermal efficiency.

Keywords: organic Rankine cycle (ORC), low-grade energysource, Patel-Teja equation, thermodynamic performance

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Authors: F. Esmaeilzadeh, Y. Fayazi, J. Fathikaljahi

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Gas hydrates form when a number of factors co-exist: free water, hydrocarbon gas, cold temperatures and high pressures are typical of the near mud-line conditions in a deepwater drilling operation. Subsequently, when drilling with water based muds, particularly on exploration wells, the risk of hydrate formation associated with a gas influx is high. The consequences of gas hydrate formation while drilling are severe, and as such, every effort should be made to ensure the risk of hydrate formation is either eliminated or significantly reduced. Thermodynamic inhibitors are used to reduce the free water content of a drilling mud, and thus suppress the hydrate formation temperature. Very little experimental work has been performed by oil and gas research companies on the evaluation of gas hydrate formation in a water-based drilling mud. The main objective of this paper is to investigate the experimental gas hydrate formation for a mixture of methane, carbon dioxide & nitrogen in a water-based drilling mud with or without presence of different concentrations of thermodynamic inhibitors including pure salt and a combination of salt with methanol or ethylene glycol at different concentrations in a static loop apparatus. The experiments were performed using a static loop apparatus consisting of a 2.4307 cm inside diameter and 800 cm long pipe. All experiments were conducted at 2200 psia. The temperature in the loop was decreased at a rate of 3.33 °F/h from initial temperature of 80 °F.

Keywords: Hydrate formation, thermodynamic inhibitor, waterbaseddrilling mud, salt, static loop apparatus.

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Authors: Corina M Mateescu, Edison Muzenda, Mohamed Belaid, Saka Abdulkareem, Ayo S Afolabi

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This work considered the thermodynamic feasibility of scrubbing volatile organic compounds into biodiesel in view of designing a gas treatment process with this absorbent. A detailed vapour – liquid equilibrium investigation was performed using the original UNIFAC group contribution method. The four biodiesels studied in this work are methyl oleate, methyl palmitate, methyl linolenate and ethyl stearate. The original UNIFAC procedure was used to estimate the infinite dilution activity coefficients of 13 selected volatile organic compounds in the biodiesels. The calculations were done at the VOC mole fraction of 9.213x10-8. Ethyl stearate gave the most favourable phase equilibrium. A close agreement was found between the infinite dilution activity coefficient of toluene found in this work and those reported in literature. Thermodynamic models can efficiently be used to calculate vast amount of phase equilibrium behaviour using limited number of experimental data.

Keywords: Biodiesel, Equilibrium, Gas treatment, Infinitedilution, Thermodynamic

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Authors: A. R. Shahani, E. Mahdavi, M. Amidpour

Abstract:

Hydrogen diffusion is the main problem for corrosion fatigue in corrosive environment. In order to analyze the phenomenon, it is needed to understand their behaviors specially the hydrogen behavior during the diffusion. So, Hydrogen embrittlement and prediction its behavior as a main corrosive part of the fractions, needed to solve combinations of different equations mathematically. The main point to obtain the equation, having knowledge about the source of causing diffusion and running the atoms into materials, called driving force. This is produced by either gradient of electrical or chemical potential. In this work, we consider the gradient of chemical potential to obtain the property equation. In diffusion of atoms, some of them may be trapped but, it could be ignorable in some conditions. According to the phenomenon of hydrogen embrittlement, the thermodynamic and chemical properties of hydrogen are considered to justify and relate them to fracture mechanics. It is very important to get a stress intensity factor by using fugacity as a property of hydrogen or other gases. Although, the diffusive behavior and embrittlement event are common and the same for other gases but, for making it more clear, we describe it for hydrogen. This considering on the definite gas and describing it helps us to understand better the importance of this relation.

Keywords: Hydrogen embrittlement, Fracture mechanics, Thermodynamic, Stress intensity factor.

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Authors: Meghal Desai, Jigisha Parikh

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Aggregation behavior of sodium salicylate and sodium cumene sulfonate was studied in aqueous solution at different temperature. Specific conductivity and relative viscosity were measured at different temperature to find minimum hydrotropic concentration. The thermodynamic parameters (free energy, enthalpy and entropy) were evaluated in the temperature range of 30°C-70°C. The free energy decreased with increase in temperature. The aggregation was found to be exothermic in nature and favored by positive value of entropy.

Keywords: Hydrotropes, Enthalpy, Entropy, Free Energy, Minimum Hydrotropic Concentration.

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Authors: R. D. Kulkarni, Mayur Chaudhari, S. Mishra

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Curing of paints by exposure to UV radiations is emerging as one of the best film forming technique as an alternative to traditional solvent borne oxidative and thermal curing coatings. The composition and chemistry of UV curable coatings and role of multifunctional and monofunctional monomers, oligomers, and photoinitiators have been discussed. The limitations imposed by thermodynamic equilibrium and tendency for acrylic double bond polymerizations during synthesis of multifunctional acrylates have been presented. Aim of present investigation was thus to explore the reaction variables associated with synthesis of multifunctional acrylates. Zirconium oxychloride was evaluated as catalyst against regular acid functional catalyst. The catalyzed synthesis of glyceryl acrylate and neopentyl glycol acrylate was conducted by variation of following reaction parameters: two different reactant molar ratios- 1:4 and 1:6; catalyst usage in % by moles on polyol- 2.5, 5.0 and 7.5 and two different reaction temperatures- 45 and 75 0C. The reaction was monitored by determination of acid value and hydroxy value at regular intervals, besides TLC, HPLC, and FTIR analysis of intermediates and products. On the basis of determination of reaction progress over 1-60 hrs, the esterification reaction was observed to follow 2nd order kinetics with rate constant varying from 1*10-4 to 7*10-4. The thermal and catalytic components of second order rate constant and energy of activation were also determined. Uses of these kinetic and thermodynamic parameters in design of reactor for manufacture of multifunctional acrylate ester have been presented. The synthesized multifunctional acrylates were used to formulate and apply UV curable clear coat followed by determination of curing characteristics and mechanical properties of cured film. The overall curing rates less than 05 min. were easily attained indicating economical viability of radiation curable system due to faster production schedules

Keywords: glyceryl acrylate, neopentyl glycol acrylate, kinetic modeling, zirconium oxychloride.

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