Furnace structure analysis for copper flash continuous smelting based on numerical simulation

According to the innate characteristic of four types of furnace, the copper flash continuous smelting （CFCS） furnace can be considered a synthetic reactor of two relatively independent processes： flash matte smelting process （FMSP） and copper continuous converting process （CCCP）. Then, the CFCS thermodynamic model was proposed by establishing the multi-phase equilibrium model of FMSP and the local-equilibrium model of CCCP, respectively, and by combining them through the smelting intermediates. Subsequently, the influences of the furnace structures were investigated using the model on the formation of blister copper, the Fe3O4 behavior, the copper loss in slag and the copper recovery rate. The results show that the type D furnace, with double flues and a slag partition wall, is an ideal CFCS reactor compared with the other three types furnaces. For CFCS, it is effective to design a partition wall in the furnace to make FMSP and CCCP perform in two relatively independent zones, respectively, and to make smelting gas and converting gas discharge from respective flues.

Thermodynamics analysis and precipitation behavior of fine carbide in K416B Ni-based superalloy with high W content during creep

The precipitation behavior of carbide in K416 B superalloy was investigated by means of creep measurement and microstructure observation. The results show that nanometer M6 C particles discontinuously precipitate in the γ matrix or along the γ/γ′ interface of the alloy during high temperature tensile creep. Thereinto, the amount of fine M6 C carbide increases as creep goes on, and the coherent interfaces of M6 C phase precipitating from the γ matrix are {100} and {111} planes. The thermodynamics analysis indicates that the solubility of element carbon in the matrix decreases when the alloy is deformed by the axial tensile stress during creep, so as to cause the carbon segregating in the regions of stress concentration and combining with carbide-forming elements M（W, Co）, which promotes the fine M6 C carbide to precipitate from the γ matrix.

Thermodynamic analysis on synthesis of fibrous Ni-Co alloys precursor and Ni/Co ratio control

According to the principles of simultaneous equilibrium and mass equilibrium, a series of thermodynamic equilibrium equations in Ni（II）-Co（II）-C2O4^2--NH3-NH4^＋-H2O system at ambient temperature were deduced. The diagrams of logarithm ion concentrations versus pH values at different solution compositions were drawn. The results show that Ni^2＋ and Co^2＋ can completely precipitate at pH less than 5.0 and the predefined Ni/Co ratios can be well kept in the precursor. The precursor morphology is granular aggregation. However, rod aggregation precursor is obtained in the pH range of 5.0-8.0, and fibre-shape precursor is got at pH value higher than 8.0. The Ni/Co ratios in the above two precursors are not reproduced as that in the feed due to the formhtion of multi-coordinated Ni（NH3）n^2＋ and Co（NH3）n^2＋ （n=1-6）. Modification of precipitation medium is favorable for the precursors to keep the predefined Ni/Co ratios of the feed in the pH range of 2.0-8.6. Meanwhile, the precursors with fibrous morphology can be obtained.

Thermodynamics analysis of Ni^(2+)-C_2H_8N_2- C_2O_4^(2-)-H_2O system and preparation of Ni microfiber

According to the principles of simultaneous equilibrium and mass equilibrium, the thermodynamics model of the precipitation-coordination equilibrium of Ni2＋-C2H8N2- 2-2 4C O -H2O system was established, and calculation for the relationships between concentration of each substance in solution and parameters was carried out, including pH value, concentrations of ethylenediamine and oxalate by MATLAB program. The results show that Ni exists as Ni2＋and [Ni（C2O4）n]2-2n mainly at pH〈1 and pH=1-6, respectively. When pH〉6, the complex between Ni2＋and ethylenediamine is predominant. The precursor of Ni microfiber was prepared by an oxalate precipitation process using ethylenediamine as a coordination agent, and the role of ethylenediamine in the growth of the precursor fiber was discussed. The Ni microfiber can be obtained by a thermal decomposition-reduction process of the precursor in N2 and H2 mixed atmosphere. The diameters and aspect ratios of the obtained Ni microfibers are 0.2-1 μm and 20-30, respectively.

Thermodynamic and Equilibrium Composition Analysis of Using Iron Oxide as an Oxygen Carrier in Nonflame Combustion Technology

Nonflame combustion technology （NFCT） is a harmonious energy utilization technology. There are not environmental-unfriendly gases such as NOx, CO2 discharged in the whole combustion process. Combustion processes realizes zero emission through this technology. Fe2O3 is involved as oxygen carrier, is examined thermodynamically, and the thermodynamic data of the redox reactions are calculated. Using the criteria of minimizing the Gibbs free energy, the equilibrium composition was investigated. The equilibrium analysis shows that producing complete oxidized resultants must have high molar ratio of Fe2O3/CH4. If quantity of Fe2O3 is not sufficient, more partial oxidized products such as CO, H2, even C will be produced.

Thermodynamic analysis on the direct preparation of metallic vanadium from NaVO_3 by molten salt electrolysis

A novel and environmentally friendly route to directly prepare metallic vanadium from NaV03 by molten salt electrolysis is proposed. The feasibility about the direct electro-reduction of NaV03 to metallic vanadi- um is analyzed based on the thermodynamic calculations and experimental verifications. The theoretical decomposition voltage of NaV03 to metallic vanadium is only 0.47 V at 800 ℃ and much lower than that of the alkali and alkali earth metal chloride salts. The value is slightly higher than that of low-valence vanadium oxides such as V203, V305 and VO. However, the low-valence vanadium oxides can he further electro-reduced to metallic vanadium thermodynamically. The thermodynamic analysis is verified by the experimental results. The direct preparation of metallic vanadium from NaV03 by molten salt electrolysis is feasible.

Thermodynamic analysis of combined reforming process using Gibbs energy minimization method: In view of solid carbon formation

Thermodynamic analysis was applied to study combined partial oxidation and carbon dioxide reforming of methane in view of carbon formation. The equilibrium calculations employing the Gibbs energy minimization were performed upon wide ranges of pressure （1-25 atm）, temperature （600-1300 K）, carbon dioxide to methane ratio （0-2） and oxygen to methane ratio （0-1）. The thermodynamic results were compared with the results obtained over a Ru supported catalyst. The results revealed that by increasing the reaction pressure methane conversion decreased. Also it was found that the atmospheric pressure is the preferable pressure for both dry reforming and partial oxidation of methane and increasing the temperature caused increases in both activity of carbon and conversion of methane. The results clearly showed that the addition of O2 to the feed mixture could lead to a reduction of carbon deposition.

Thermodynamic analysis on tin precipitation behavior in Ti-bearing peritectic steel after magnesium treatment

TiN,which is ubiquitous in Ti-bearing steel,has a critical influence on both the mechanical properties and the welding process of steel,and therefore researche on the precipitation behavior of TiN in molten steel bath is of great significance.In this paper,Ti-bearing peritectic steel was taken as the study object and FactSage was adopted to explore how the precipitation behavior of typical inclusions in steel was affected by the steel composition.Furthermore,microsegregation models were used to analyze the precipitation process of TiN at solidification front,and the calculation results were finally verified by scanning electron microscope(SEM).Research showed that a multitude of dispersed particles of high melting oxide MgAl2O4 or MgO always existed in molten steel after magnesium treatment.In consideration of the segregation and enrichment of solute elements at the solidification front,the Ohnaka microsegregation model was employed to compute the precipitation during solidification.In the event of the solid fraction reaching 0.95 or more,the concentration product of[Ti][N]at the solidification front exceeded the equilibrium concentration product,then TiN began to precipitate.MgO or MgAl2O4 cores were generally found in TiN particles of peritectic steel after the magnesium treatment,which was consistent with the thermodynamic calculation results.Moreover,the average size of TiN particles was reduced by approximately 49%.This demonstrated that Mg-rich high melting inclusions were formed after the magnesium treatment,by which the heterogeneous nucleation of TiN was promoted it;therefore,favorable nucleation sites were provided for further refining the high-temperature ferrite phase.

Entropy analysis of SWCNT & MWCNT flow induced by collecting beating of cilia with porous medium

In this article, we considers the thermodynamics analysis of creeping viscous nanofluid flow in a horizontal ciliated tube under the effects of a uniform magnetic field and porous medium. Moreover, energy analysis is performed in the presence of an internal heat source and thermal radiation phenomena. The thermal conductivity of base fluid water is strengthened by considering the carbon nanotubes (CNTs). Mathematical formulation operated, results in a set of non-linear coupled partial differential equations. The governed differential system is transformed into an ordinary differential system by considering suitable similarity variables. Exact solutions in the closed form are computed for the temperature, momentum and pressure gradient profiles. In this study, special attention is devoted to the electrical conductivity of the CNTs. Streamlines patterns are also discussed to witness the flow lines for different parameters. Thermodynamics analysis shows that entropy of the current flow system is an increasing function of Brinkmann number, magnetic parameter, nanoparticle concentration parameter and Darcy number.

Thermodynamic analysis and combined cycle research on recoverable pressure energy in natural gas pipeline

Current research and ways of capturing mechanical energy are discussed in this paper. By the aid of the comprehensive thermodynamic analysis and Aspen simulation tool, the amount of a vailable work that can be produced from capturing the pressure energy has been calculated. Based on the comprehensive thermodynamic analysis, two systems have been proposed to capture pressure energy of natural gas to generate electricity. In this study, the expression of exergy is given which can be used in evaluating purposes. A problem with this multidisciplinary study is the complicated boundary condition. In conclusion, a technical prospect on recoverable natural gas pressure energy has been presented based on total energy system theory.

Oxidative reforming of methane for hydrogen and synthesis gas production:Thermodynamic equilibrium analysis

A thermodynamic analysis of methane oxidative reforming was carried out by Gibbs energy minimization （at constant pressure and temperature） and entropy maximization （at constant pressure and enthalpy） methods,to determine the equilibrium compositions and equilibrium temperatures,respectively.Both cases were treated as optimization problems （non-linear programming formulation）.The GAMS 23.1 software and the CONOPT2 solver were used in the resolution of the proposed problems.The hydrogen and syngas production were favored at high temperatures and low pressures,and thus the oxygen to methane molar ratio （O 2 /CH 4） was the dominant factor to control the composition of the product formed.For O 2 /CH 4 molar ratios higher than 0.5,the oxidative reforming of methane presented autothermal behavior in the case of either utilizing O 2 or air as oxidant agent,but oxidation reaction with air possessed the advantage of avoiding peak temperatures in the system,due to change in the heat capacity of the system caused by the addition of nitrogen.The calculated results were compared with previously published experimental and simulated data with a good agreement between them.

Thermodynamic analysis of the carbothermic reduction of a high-phosphorus oolitic iron ore by FactSage

A thermodynamic analysis of the carbothermic reduction of high-phosphorus oolitic iron ore（HPOIO） was conducted by the Fact Sage thermochemical software. The effects of temperature, C/O ratio, additive types, and dosages both on the reduction of fluorapatite and the formation of liquid slag were studied. The results show that the minimum thermodynamic reduction temperature of fluorapatite by carbon decreases to about 850°C, which is mainly ascribed to the presence of SiO_2, Al_2O_3, and Fe. The reduction rate of fluorapatite increases and the amount of liquid slag decreases with the rise of C/O ratio. The reduction of fluorapatite is hindered by the addition of CaO and Na_2CO_3, thereby allowing the selective reduction of iron oxides upon controlled C/O ratio. The thermodynamic results obtain in the present work are in good agreement with the experimental results available in the literatures.

The thermodynamics analysis and experimental validation for complicated systems in CO_2 hydrogenation process

Catalytic conversion of COinto chemicals and fuels is an alternative to alleviate climate change and ocean acidification.The catalytic reduction of COby Hcan lead to the formation of various products:carbon monoxide,carboxylic acids,aldehydes,alcohols and hydrocarbons.In this paper,a comprehensive thermodynamics analysis of COhydrogenation is conducted using the Gibbs free energy minimization method.The results show that COreduction to CO needs a high temperature and H/COratio to achieve a high COconversion.However,synthesis of methanol from COneeds a relatively high pressure and low temperature to minimize the reverse water-gas shift reaction.Direct COhydrogenation to formic acid or formaldehyde is thermodynamically limited.On the contrary,production of CHfrom COhydrogenation is the thermodynamically easiest reaction with nearly 100%CH4 yield at moderate conditions.In addition,complex reactions with more than one product are also calculated in this work.Among the considered carboxylic acids（HCOOH,CHCOOH and CHCOOH）,propionic acid dominates in the product stream（selectivity above 90%）.The same trend can also be found in the hydrogenation of COto aldehydes and alcohols with the major product of propionaldehyde and butanol,respectively.In the process of COhydrogenation to alkenes,low temperature,high pressure,and high Hpartial pressure favor the COconversion.CHis the most thermodynamically favorable among all considered alkynes under different temperatures and pressures.The thermodynamic calculations are validated with experimental results,suggesting that the Gibbs free energy minimization method is effective for thermodynamically understanding the reaction network involved in the COhydrogenation process,which is helpful for the development of high-performance catalysts.

Energy and Exergy Analysis, and Thermoeconomic Performance of a BCHP System

Building cooling, heating and power (BCHP) systems should play an important role in achieving the goals of energy efficient use and environment protection in China. It will make big sense when this type of system shows a good performance energetically and economically. An on-site BCHP system being the first in the country was installed and put to use five years ago. As the first step to evaluate the project, computations were made based on thermodynamic and thermoeconomic theories to evaluate the system on full load and off-design conditions in summer. Discussion and analyses are made mainly in terms of exergetic efficiency and costs of unit amount of useful exergy produced in this paper.

Syngas production from chemical looping reforming of ethanol over iron-based oxygen carriers: Theoretical analysis and experimental investigation

Chemical looping reforming(CLR)is a recent trend for syngas production,which has several merits compared to the conventional manner.One of the most important issues for CLR is to find low-cost material as oxygen carriers,so iron is a promising candidate.This paper contributes to testing the thermodynamic ability of iron-based oxygen carrier for chemical looping reforming of ethanol(CLRE).Iron thermodynamically investigated in temperature 100–1300℃and excess oxygen number(φ)0–4.It was found that the temperature andφhave an apparent effect on the gaseous composition produced from the process.Increases in temperature within the range of 100–1300℃enhanced syngas generated and reduced coke formation and CH4.Whereas,increasedφ,particularly at higher temperatures,had also enhanced syngas production as well as reduced coke formation.However,increasingφfor values beyond one had decreased syngas and not significantly reduced coke deposition.Moreover,an experimental investigation was carried out in a fixed bed reactor for more in-depth verification of iron ability as an oxygen carrier through using magnetite ore(mainly Fe3O4).It found that the effect of temperature on syngas production was consistent with that calculated thermodynamically,as syngas increased with raising the temperature through the CLRE.

Commercial AM60 alloy for semisolid processing:Alloy optimization and thermodynamic analysis

Semisolid processing is now a commercially successful manufacturing route to produce net-shape parts in automotive industry. The conspicuous results of alloy optimization with thermodynamic simulations for semisolid processing of commercial AM60 alloy were present. The results indicate that the available processing temperature range of AM60 alloy is 170 ℃. The temperature sensitivity of solid fraction decreases with increasing solid fraction or with decreasing temperature above eutectic reaction temperature of AM60 alloy. When the solid fraction φs is 0.4, corresponding processing temperature is 603.8 ℃ and the sensitivity -dφs/dT is 0.0184. The effects of various alloying elements on the solidification behavior and SSM processability of AM60 alloy were calculated with Pandat software.

Fabrication of Ti_2AlC by Spark Plasma Sintering from Elemental Powders and Thermodynamics Analysis of Ti-Al-C System

A ternary-layered carbide Ti2AlC material could be synthesized by spark plasma sintering（SPS） technology using elemental powder mixture of Ti, Al and active carbon. By means of XRD and SEM, phases were identified and microscopically evaluated. The experimental results show that the main phase in the product was fully crystallized Ti2AlC with small particle size when sintered at 1200℃. The synthesis temperature of SPS was 200-400℃ lower than that of hot pressing （HP） or hot isostatic pressing （HIP）. Through thermodynamics calculations, the mechanism of Ti2AlC was studied by calculating changes of Gibbs free energy of reactions.

Thermodynamic Analysis of Alternative Marine Fuels for Marine Gas Turbine Power Plants

The marine shipping industry faces challenges to reduce engine exhaust emissions and greenhouse gases （GHGs） from ships, and in particular, carbon dioxide. International regulatory bodies such as the International Maritime Organization and National Environmental Agencies of many countries have issued rules and regulations to drastically reduce GHG and emissions emanating from marine sources. This study investigates the possibility of using natural gas and hydrogen as alternative fuels to diesel oil for marine gas turbines and uses a mathematical model to assess the effect of these alternative fuels on gas turbine thermodynamic performance. Results show that since natural gas is categorized as a hydrocarbon fuel, the thermodynamic performance of the gas turbine cycle using natural gas was close to that of the diesel case. However, the gas turbine thermal efficiency was found to be slightly lower for natural gas and hydrogen fuels compared to diesel fuel.

Stress-Induced Precipitation of Fineγ'-Phase and Thermodynamics Analysis

The microstructures of a single crystal Ni-base superalloy with [001] orientation were observed by means of TEM. Results showed that the fine γ' particles were precipitated in the γ matrix channels during the tensile deformation of the alloy. Thermodynamics analysis indicated that the solubility of elements M(Al,Ta) within the γ matrix may be changed when the alloy was deformed by the external applied stress. The tensile stress reduced the solubility of elements Al and Ta so as to occur the over-saturation and agglomeration of them, which promoted the precipitation of fine γ'-phase in the γ matrix.

Thermodynamic analysis of Na−S−Fe−H_(2)O system for Bayer process

Thermodynamic diagrams of Na−S−Fe−H_(2)O system were constructed to analyze the behavior of sulfur and iron in the Bayer process.After digestion,iron mainly exists as Fe_(3)O_(4) and Fe_(2)O_(3) in red mud,and partial iron transfers into solution as Fe(OH)_(3)^(−),HFeO_(2)^(−),Fe(OH)_(4)^(−)and Fe(OH)_(4)^(2−).The dominant species of sulfur is S^(2−),followed by SO_(4)^(2−),and then SO_(3)^(2−)and S_(2)O_(3)^(2−).The thermodynamic analysis is consistent with the iron and sulfur species distribution in the solution obtained by experiments.When the temperature decreases,sulfur and iron can combine and precipitate.Controlling low potential and reducing temperature are beneficial to removing them from the solution.XRD patterns show that NaFeS_(2)·2H_(2)O,FeS and FeS_(2) widely appear in red mud and precipitates of pyrite and high-sulfur bauxite digestion solution.Thermodynamic analysis can be utilized to guide the simultaneous removal of sulfur and iron in the Bayer process.