Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 313

Search results for: thermodynamic

313 The Relationship Study between Topological Indices in Contrast with Thermodynamic Properties of Amino Acids

Authors: Esmat Mohammadinasab, Mostafa Sadeghi

Abstract:

In this study are computed some thermodynamic properties such as entropy and specific heat capacity, enthalpy, entropy and gibbs free energy in 10 type different Aminoacids using Gaussian software with DFT method and 6-311G basis set. Then some topological indices such as Wiener, shultz are calculated for mentioned molecules. Finaly is showed relationship between thermodynamic peoperties and above topological indices and with different curves is represented that there is a good correlation between some of the quantum properties with topological indices of them. The instructive example is directed to the design of the structure-property model for predicting the thermodynamic properties of the amino acids which are discussed here.

Keywords: amino acids, DFT Method, molecular descriptor, thermodynamic properties

Procedia PDF Downloads 316
312 Structural and Thermodynamic Properties of MnNi

Authors: N. Benkhettoua, Y. Barkata

Abstract:

We present first-principles studies of structural and thermodynamic properties of MnNi According to the calculated total energies, by using an all-electron full-potential linear muffin–tin orbital method (FP-LMTO) within LDA and the quasi-harmonic Debye model implemented in the Gibbs program is used for the temperature effect on structural and calorific properties.

Keywords: magnetic materials, structural properties, thermodynamic properties, metallurgical and materials engineering

Procedia PDF Downloads 446
311 Thermodynamic Analysis of Ammonia-Water Based Regenerative Rankine Cycle with Partial Evaporation

Authors: Kyoung Hoon Kim

Abstract:

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

Procedia PDF Downloads 227
310 First Principal Calculation of Structural, Elastic and Thermodynamic Properties of Yttrium-Copper Intermetallic Compound

Authors: Ammar Benamrani

Abstract:

This work investigates the equation of state parameters, elastic constants, and several other physical properties of (B2-type) Yttrium-Copper (YCu) rare earth intermetallic compound using the projected augmented wave (PAW) pseudopotentials method as implemented in the Quantum Espresso code. Using both the local density approximation (LDA) and the generalized gradient approximation (GGA), the finding of this research on the lattice parameter of YCu intermetallic compound agree very well with the experimental ones. The obtained results of the elastic constants and the Debye temperature are also in general in good agreement compared to the theoretical ones reported previously in literature. Furthermore, several thermodynamic properties of YCu intermetallic compound have been studied using quasi-harmonic approximations (QHA). The calculated data on the thermodynamic properties shows that the free energy and both isothermal and adiabatic bulk moduli decrease gradually with increasing of the temperature, while all other thermodynamic quantities increase with the temperature.

Keywords: Yttrium-Copper intermetallic compound, thermo_pw package, elastic constants, thermodynamic properties

Procedia PDF Downloads 40
309 A Study on Thermodynamic Prototype for Vernacular Dwellings in Perspective of Bioclimatic Architecture

Authors: Zhenzhen Zhang

Abstract:

As major human activity places, buildings consume a large amount of energy, and residential buildings are very important part of it. An extensive research work had been conducted to research how to achieve low energy goals, vernacular dwellings and contemporary technologies are two prime parameters among them. On one hand, some researchers concentrated on vernacular dwellings which were climate-response design and could offer a better living condition without mechanic application. On the other hand, a series concepts appeared based on modern technologies, surplus energy house, bioclimatic architecture, etc. especially thermodynamic architecture which integrates the micro-climate, human activity, thermal comfort, and energy efficiency into design. How to blend the two parameters is the key research topic now, which would act as the key to how to integrate the ancient design wise and contemporary new technologies. By several cases study, this paper will represent the evolution of thermodynamic architecture and then try to develop one methodology about how to produce a typical thermodynamic prototype for one area by blending the ancient building wise and contemporary concepts to achieve both low energy consumption and surplus energy.

Keywords: vernacular dwelling, thermodynamic architecture, bioclimatic architecture, thermodynamic prototype, surplus energy

Procedia PDF Downloads 149
308 Thermodynamic Performance Tests for 3D Printed Steel Slag Powder Concrete Walls

Authors: Li Guoyou, Zhang Tao, Ji Wenzhan, Huo Liang, Lin Xiqiang, Zhang Nan

Abstract:

The three dimensional (3D) printing technology has undergone rapid development in the last few years and it is possible to print engineering structures. 3D printing buildings use wastes from constructions, industries and mine tailings as “ink”, and mix it with property improved materials, such as cement, fiber etc. This paper presents a study of the Thermodynamic performance of 3D printed walls using cement and steel slag powder. Analyses the thermal simulation regarding 3D printed walls and solid brick wall by the way of the hot-box methods and the infrared technology, and the results were contrasted with theoretical calculation. The results show that the excellent thermodynamic performance of 3D printed concrete wall made it suitable as the partial materials for self-thermal insulation walls in residential buildings. The thermodynamic performance of 3D printed concrete walls depended on the density of materials, distribution of holes, and the filling materials. Decreasing the density of materials, increasing the number of holes or replacing the filling materials with foamed concrete could improve its thermodynamic performance significantly. The average of heat transfer coefficient and thermal inertia index of 3D printed steel slag powder concrete wall all better than the traditional solid brick wall with a thickness of 240mm.

Keywords: concrete, 3D printed walls, thermodynamic performance, steel slag powder

Procedia PDF Downloads 83
307 Molecular Dynamics Simulations of the Structural, Elastic, and Thermodynamic Properties of Cubic AlBi

Authors: M. Zemouli, K. Amara, M. Elkeurti, Y. Benallou

Abstract:

We present a theoretical study of the structural, elastic and thermodynamic properties of the zinc-blende AlBi for a wide temperature range. The simulation calculation is performed in the framework of the molecular dynamics method using the three-body Tersoff potential which reproduces provide, with reasonable accuracy, the lattice constants and elastic constants. Our results for the lattice constant, the bulk modulus and cohesive energy are in good agreement with other theoretical available works. Other thermodynamic properties such as the specific heat and the lattice thermal expansion can also be predicted. In addition, this method allows us to check its ability to predict the phase transition of this compound. In particular, the transition pressure to the rock-salt phase is calculated and the results are compared with other available works.

Keywords: aluminium compounds, molecular dynamics simulations, interatomic potential, thermodynamic properties, structural phase transition

Procedia PDF Downloads 207
306 Thermodynamic Analysis of Cascade Refrigeration System Using R12-R13, R290-R23 and R404A-23

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

Abstract:

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

Procedia PDF Downloads 197
305 Thermodynamic Modeling of Three Pressure Level Reheat HRSG, Parametric Analysis and Optimization Using PSO

Authors: Mahmoud Nadir, Adel Ghenaiet

Abstract:

The main purpose of this study is the thermodynamic modeling, the parametric analysis, and the optimization of three pressure level reheat HRSG (Heat Recovery Steam Generator) using PSO method (Particle Swarm Optimization). In this paper, a parametric analysis followed by a thermodynamic optimization is presented. The chosen objective function is the specific work of the steam cycle that may be, in the case of combined cycle (CC), a good criterion of thermodynamic performance analysis, contrary to the conventional steam turbines in which the thermal efficiency could be also an important criterion. The technologic constraints such as maximal steam cycle temperature, minimal steam fraction at steam turbine outlet, maximal steam pressure, minimal stack temperature, minimal pinch point, and maximal superheater effectiveness are also considered. The parametric analyses permitted to understand the effect of design parameters and the constraints on steam cycle specific work variation. PSO algorithm was used successfully in HRSG optimization, knowing that the achieved results are in accordance with those of the previous studies in which genetic algorithms were used. Moreover, this method is easy to implement comparing with the other methods.

Keywords: combined cycle, HRSG thermodynamic modeling, optimization, PSO, steam cycle specific work

Procedia PDF Downloads 274
304 Thermodynamic Analysis of GT Cycle with Naphtha or Natural Gas as the Fuel: A Thermodynamic Comparison

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 analysis, gas turbine, naphtha, natural gas

Procedia PDF Downloads 90
303 Folding Pathway and Thermodynamic Stability of Monomeric GroEL

Authors: Sarita Puri, Tapan K. Chaudhuri

Abstract:

Chaperonin GroEL is a tetradecameric Escherichia coli protein having identical subunits of 57 kDa. The elucidation of thermodynamic parameters related to stability for the native GroEL is not feasible as it undergoes irreversible unfolding because of its large size (800kDa) and multimeric nature. Nevertheless, it is important to determine the thermodynamic stability parameters for the highly stable GroEL protein as it helps in folding and holding of many substrate proteins during many cellular stresses. Properly folded monomers work as building-block for the formation of native tetradecameric GroEL. Spontaneous refolding behavior of monomeric GroEL makes it suitable for protein-denaturant interactions and thermodynamic stability based studies. The urea mediated unfolding is a three state process which means there is the formation of one intermediate state along with native and unfolded states. The heat mediated denaturation is a two-state process. The unfolding process is reversible as observed by the spontaneous refolding of denatured protein in both urea and head mediated refolding processes. Analysis of folding/unfolding data provides a measure of various thermodynamic stability parameters for the monomeric GroEL. The proposed mechanism of unfolding of monomeric GroEL is a three state process which involves formation of one stable intermediate having folded apical domain and unfolded equatorial, intermediate domains. Research in progress is to demonstrate the importance of specific residues in stability and oligomerization of GroEL protein. Several mutant versions of GroEL are under investigation to resolve the above mentioned issue.

Keywords: equilibrium unfolding, monomeric GroEl, spontaneous refolding, thermodynamic stability

Procedia PDF Downloads 180
302 Studies on the Applicability of Artificial Neural Network (ANN) in Prediction of Thermodynamic Behavior of Sodium Chloride Aqueous System Containing a Non-Electrolytes

Authors: Dariush Jafari, S. Mostafa Nowee

Abstract:

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

Procedia PDF Downloads 291
301 Performance Analysis of Absorption Power Cycle under Different Source Temperatures

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

Procedia PDF Downloads 334
300 Thermodynamic Analysis of Zeotropic Mixture Used in Low Temperature Solar Rankine Cycle with Ejector for Power Generation

Authors: Basma Hamdi, Lakdar Kairouani, Ezzedine Nahdi

Abstract:

The objective of this work is to present a thermodynamic analysis of low temperature solar Rankine cycle with ejector for power generation using zeotropic mixtures. Based on theoretical calculation, effects of zeotropic mixtures compositions on the performance of solar Rankine cycle with ejector are discussed and compared with corresponding pure fluids. Variations of net power output, thermal efficiency were calculating with changing evaporation temperature. The ejector coefficient had analyzed as independent variable. The result show that (R245fa/R152a) has a higher thermal efficiency than using pure fluids.

Keywords: zeotropic mixture, thermodynamic analysis, ejector, low-temperature solar rankine cycle

Procedia PDF Downloads 164
299 Effect of Impurities in the Chlorination Process of TiO2

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

Procedia PDF Downloads 174
298 Thermodynamic Analysis of Ventilated Façades under Operating Conditions in Southern Spain

Authors: Carlos A. Domínguez Torres, Antonio Domínguez 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 modeling 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 that 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

Procedia PDF Downloads 229
297 First-Principles Calculations and Thermo-Calc Study of the Elastic and Thermodynamic Properties of Ti-Nb-ZR-Ta Alloy for Biomedical Applications

Authors: M. Madigoe, R. Modiba

Abstract:

High alloyed beta (β) phase-stabilized titanium alloys are known to have a low elastic modulus comparable to that of the human bone (≈30 GPa). The β phase in titanium alloys exhibits an elastic Young’s modulus of about 60-80 GPa, which is nearly half that of α-phase (100-120 GPa). In this work, a theoretical investigation of structural stability and thermodynamic stability, as well as the elastic properties of a quaternary Ti-Nb-Ta-Zr alloy, will be presented with an attempt to lower Young’s modulus. The structural stability and elastic properties of the alloy were evaluated using the first-principles approach within the density functional theory (DFT) framework implemented in the CASTEP code. The elastic properties include bulk modulus B, elastic Young’s modulus E, shear modulus cʹ and Poisson’s ratio v. Thermodynamic stability, as well as the fraction of β phase in the alloy, was evaluated using the Thermo-Calc software package. Thermodynamic properties such as Gibbs free energy (Δ𝐺⁰𝒻) and enthalpy of formation will be presented in addition to phase proportion diagrams. The stoichiometric compositions of the alloy is Ti-Nbx-Ta5-Zr5 (x = 5, 10, 20, 30, 40 at.%). An optimum alloy composition must satisfy the Born stability criteria and also possess low elastic Young’s modulus. In addition, the alloy must be thermodynamically stable, i.e., Δ𝐺⁰𝒻 < 0.

Keywords: elastic modulus, phase proportion diagram, thermo-calc, titanium alloys

Procedia PDF Downloads 63
296 Parametric Analysis of Syn-gas Fueled SOFC with Internal Reforming

Authors: Sanjay Tushar Choudhary

Abstract:

This paper focuses on the thermodynamic analysis of Solid Oxide Fuel Cell (SOFC). In the present work the SOFC has been modeled to work with internal reforming of fuel which takes place at high temperature and direct energy conversion from chemical energy to electrical energy takes place. The fuel-cell effluent is a high-temperature steam which can be used for co-generation purposes. Syn-gas has been used here as fuel which is essentially produced by steam reforming of methane in the internal reformer of the SOFC. A thermodynamic model of SOFC has been developed for planar cell configuration to evaluate various losses in the energy conversion process within the fuel cell. Cycle parameters like fuel utilization ratio and the air-recirculation ratio have been varied to evaluate the thermodynamic performance of the fuel cell. Output performance parameters like terminal voltage, cell-efficiency and power output have been evaluated for various values of current densities. It has been observed that a combination of a lower value of air-circulation ratio and higher values of fuel utilization efficiency gives a better overall thermodynamic performance.

Keywords: current density, SOFC, suel utilization factor, recirculation ratio

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295 Thermodynamic Approach of Lanthanide-Iron Double Oxides Formation

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

Abstract:

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 isostructural 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

Procedia PDF Downloads 236
294 Molecular Dynamics Simulations of the Structural, Elastic and Thermodynamic Properties of Cubic GaBi

Authors: M. Zemouli, K. Amara, M. Elkeurti, Y. Benallou

Abstract:

We present the molecular dynamic simulations results of the structural and dynamical properties of the zinc-blende GaBi over a wide range of temperature (300-1000) K. Our simulation where performed in the framework of the three-body Tersoff potential, which accurately reproduces the lattice constants and elastic constants of the GaBi. A good agreement was found between our calculated results and the available theoretical data of the lattice constant, the bulk modulus and the cohesive energy. Our study allows us to predict the thermodynamic properties such as the specific heat and the lattice thermal expansion. In addition, this method allows us to check its ability to predict the phase transition of this compound. In particular, the transition pressure to the rock-salt phase is calculated and the results are compared with other available works.

Keywords: Gallium compounds, molecular dynamics simulations, interatomic potential thermodynamic properties, structural phase transition

Procedia PDF Downloads 338
293 Design Parameters Optimization of a Gas Turbine with Exhaust Gas Recirculation: An Energy and Exergy Approach

Authors: Joe Hachem, Marianne Cuif-Sjostrand, Thierry Schuhler, Dominique Orhon, Assaad Zoughaib

Abstract:

The exhaust gas recirculation, EGR, implementation on gas turbines is increasingly gaining the attention of many researchers. This emerging technology presents many advantages, such as lowering the NOx emissions and facilitating post-combustion carbon capture as the carbon dioxide concentration in the cycle increases. As interesting as this technology may seem, the gas turbine, or its thermodynamic equivalent, the Brayton cycle, shows an intrinsic efficiency decrease with increasing EGR rate. In this paper, a thermodynamic model is presented to show the cycle efficiency decrease with EGR, alternative values of design parameters of both the pressure ratio (PR) and the turbine inlet temperature (TIT) are then proposed to optimize the cycle efficiency with different EGR rates. Results show that depending on the given EGR rate, both the design PR & TIT should be increased to compensate for the deficit in efficiency.

Keywords: gas turbines, exhaust gas recirculation, design parameters optimization, thermodynamic approach

Procedia PDF Downloads 46
292 Thermodynamic Optimization of an R744 Based Transcritical Refrigeration System with Dedicated Mechanical Subcooling Cycle

Authors: Mihir Mouchum Hazarika, Maddali Ramgopal, Souvik Bhattacharyya

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The thermodynamic analysis shows that the performance of the R744 based transcritical refrigeration cycle drops drastically for higher ambient temperatures. This is due to the peculiar s-shape of the isotherm in the supercritical region. However, subcooling of the refrigerant at the gas cooler exit enhances the performance of the R744 based system. The present study is carried out to analyze the R744 based transcritical system with dedicated mechanical subcooling cycle. Based on this proposed cycle, the thermodynamic analysis is performed, and optimum operating parameters are determined. The amount of subcooling and the pressure ratio in the subcooling cycle are the parameters which are needed to be optimized to extract the maximum COP from this proposed cycle. It is expected that this study will be helpful in implementing the dedicated subcooling cycle with R744 based transcritical system to improve the performance.

Keywords: optimization, R744, subcooling, transcritical

Procedia PDF Downloads 188
291 Prediction of the Thermodynamic Properties of Hydrocarbons Using Gaussian Process Regression

Authors: N. Alhazmi

Abstract:

Knowing the thermodynamics properties of hydrocarbons is vital when it comes to analyzing the related chemical reaction outcomes and understanding the reaction process, especially in terms of petrochemical industrial applications, combustions, and catalytic reactions. However, measuring the thermodynamics properties experimentally is time-consuming and costly. In this paper, Gaussian process regression (GPR) has been used to directly predict the main thermodynamic properties - standard enthalpy of formation, standard entropy, and heat capacity -for more than 360 cyclic and non-cyclic alkanes, alkenes, and alkynes. A simple workflow has been proposed that can be applied to directly predict the main properties of any hydrocarbon by knowing its descriptors and chemical structure and can be generalized to predict the main properties of any material. The model was evaluated by calculating the statistical error R², which was more than 0.9794 for all the predicted properties.

Keywords: thermodynamic, Gaussian process regression, hydrocarbons, regression, supervised learning, entropy, enthalpy, heat capacity

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290 Thermodynamic Phase Equilibria and Formation Kinetics of Cyclopentane, Cyclopentanone and Cyclopentanol Hydrates in the Presence of Gaseous Guest Molecules including Methane and Carbon Dioxide

Authors: Sujin Hong, Seokyoon Moon, Heejoong Kim, Yunseok Lee, Youngjune Park

Abstract:

Gas hydrate is an inclusion compound in which a low-molecular-weight gas or organic molecule is trapped inside a three-dimensional lattice structure created by water-molecule via intermolecular hydrogen bonding. It is generally formed at low temperature and high pressure, and exists as crystal structures of cubic systems − structure I, structure II, and hexagonal system − structure H. Many efforts have been made to apply them to various energy and environmental fields such as gas transportation and storage, CO₂ capture and separation, and desalination of seawater. Particularly, studies on the behavior of gas hydrates by new organic materials for CO₂ storage and various applications are underway. In this study, thermodynamic and spectroscopic analyses of the gas hydrate system were performed focusing on cyclopentanol, an organic molecule that forms gas hydrate at relatively low pressure. The thermodynamic equilibria of CH₄ and CO₂ hydrate systems including cyclopentanol were measured and spectroscopic analyses of XRD and Raman were performed. The differences in thermodynamic systems and formation kinetics of CO₂ added cyclopentane, cyclopentanol and cyclopentanone hydrate systems were compared. From the thermodynamic point of view, cyclopentanol was found to be a hydrate promotor. Spectroscopic analyses showed that cyclopentanol formed a hydrate crystal structure of cubic structure II in the presence of CH₄ and CO₂. It was found that the differences in the functional groups among the organic guest molecules significantly affected the rate of hydrate formation and the total amounts of CO₂ stored in the hydrate systems. The total amount of CO₂ stored in the cyclopentanone hydrate was found to be twice that of the amount of CO₂ stored in the cyclopentane and the cyclopentanol hydrates. The findings are expected to open up new opportunity to develop the gas hydrate based wastewater desalination technology.

Keywords: gas hydrate, CO₂, separation, desalination, formation kinetics, thermodynamic equilibria

Procedia PDF Downloads 135
289 Thermodynamic Analysis of Hydrogen Plasma Reduction of TiCl₄

Authors: Seok Hong Min, Tae Kwon Ha

Abstract:

With increasing demands for high performance materials, intensive interest on the Ti has been focused. Especially, low cost production process of Ti has been extremely necessitated from wide parts and various industries. Tetrachloride (TiCl₄) is produced by fluidized bed using high TiO₂ feedstock and used as an intermediate product for the production of metal titanium sponge. Reduction of TiCl₄ is usually conducted by Kroll process using magnesium as a reduction reagent, producing metallic Ti in the shape of sponge. The process is batch type and takes very long time including post processes treating sponge. As an alternative reduction reagent, hydrogen in the state of plasma has long been strongly recommended. Experimental confirmation has not been completely reported yet and more strict analysis is required. In the present study, hydrogen plasma reduction process has been thermodynamically analyzed focusing the effects of temperature, pressure and concentration. All thermodynamic calculations were performed using the FactSage® thermodynamical software.

Keywords: TiCl₄, titanium, hydrogen, plasma, reduction, thermodynamic calculation

Procedia PDF Downloads 196
288 Thermodynamic Cycle Analysis for Overall Efficiency Improvement and Temperature Reduction in Gas Turbines

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

Abstract:

The paper presents a thermodynamic cycle analysis for three turboshaft engines. The first is the cycle is a Brayton cycle, describing the evolution of a classical turboshaft, based on the Klimov TV2 engine. The other two 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 distribution over the stages of the gas generator turbine is maintained the same. In the first of the two considered quasi-Ericsson cycle, the efficiencies of the gas generator turbine stage. Also, the power distribution over the stages of the gas generator turbine is maintained the same. In the first of the two considered quasi-Ericsson cycle, the efficiencies of the gas generator turbine stages are maintained the same as for the reference case, while for the second, the efficiencies are increased in order to obtain the same shaft power as in the reference case. It is found that in the first case, both the shaft power and the thermodynamic efficiency of the engine decrease, while in the second, the power is maintained, and even a slight increase in efficiency can be noted.

Keywords: combustion, Ericsson, thermodynamic analysis, turbine

Procedia PDF Downloads 521
287 Thermodynamic Attainable Region for Direct Synthesis of Dimethyl Ether from Synthesis Gas

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 regions, dimethyl ether, optimal reaction network, GH Space

Procedia PDF Downloads 153
286 Excel-VBA as Modelling Platform for Thermodynamic Optimisation of an R290/R600a Cascade Refrigeration System

Authors: M. M. El-Awad

Abstract:

The availability of computers and educational software nowadays helps engineering students acquire better understanding of engineering principles and their applications. With these facilities, students can perform sensitivity and optimisation analyses which were not possible in the past by using slide-rules and hand calculators. Standard textbooks in engineering thermodynamics also use software such as Engineering Equation Solver (EES) and Interactive Thermodynamics (IT) for solving calculation-intensive and design problems. Unfortunately, engineering students in most developing countries do not have access to such applications which are protected by intellectual-property rights. This paper shows how Microsoft ExcelTM and VBA (Visual Basic for Applications), which are normally distributed with personal computers and laptops, can be used as an alternative modelling platform for thermodynamic analyses and optimisation. The paper describes the VBA user-defined-functions developed for determining the refrigerants properties with Excel. For illustration, the combination is used to model and optimise the intermediate temperature for a propane/iso-butane cascade refrigeration system.

Keywords: thermodynamic optimisation, engineering education, excel, VBA, cascade refrigeration system

Procedia PDF Downloads 301
285 Introducing Thermodynamic Variables through Scientific Inquiry for Engineering Students

Authors: Paola Utreras, Yazmina Olmos, Loreto Sanhueza

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This work shows how the learning of physics is enriched with scientific inquiry practices, achieving learning that results in the use of higher-level cognitive skills. The activities, which were carried out with students of the 3rd semester of the courses of the Faculty of Sciences of the Engineering of the Austral University of Chile, focused on the understanding of the nature of the thermodynamic variables and how they relate to each other. This, through the analysis of atmospheric data obtained in the meteorological station Miraflores, located on the campus. The proposed activities consisted of the elaboration of time series, linear analysis of variables, as well as the analysis of frequencies and periods. From their results, the students reached conclusions associated with the nature of the thermodynamic variables studied and the relationships between them, to finally make public their results in a report using scientific writing standards. It is observed that introducing topics that are close to them, interesting and which affect their daily lives allows a better understanding of the subjects, which is reflected in higher levels of approval and motivation for the subject.

Keywords: basic sciences, inquiry-based learning, scientific inquiry, thermodynamics

Procedia PDF Downloads 154
284 Influence of Moringa Leaves Extract on the Response of Hb Molecule to Dose Rates’ Changes: II. Relaxation Time and Its Thermodynamic Driven State Functions

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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