In this paper, we analyze the enthalpy, enthalpy energy density, thermodynamic volume, and the equation of state of a modified white hole. We obtain new possible mathematical connections with some sectors of Number Th...In this paper, we analyze the enthalpy, enthalpy energy density, thermodynamic volume, and the equation of state of a modified white hole. We obtain new possible mathematical connections with some sectors of Number Theory, Ramanujan Recurring Numbers, DN Constant and String Theory, that enable us to extract the quantum geometrical properties of these thermodynamic equations and the implication to the quantum vacuum spacetime geometry of our early universe as they act as the constraints to the nature of quantum gravity of the universe.展开更多
Using a dynamic laser monitoring technique,the solubility of 3-nitro-1,2,4-triazole-5-one(NTO)was investigated in two different binary systems,namely hydroxylamine nitrate(HAN)-water and boric acid(HB)-water ranging f...Using a dynamic laser monitoring technique,the solubility of 3-nitro-1,2,4-triazole-5-one(NTO)was investigated in two different binary systems,namely hydroxylamine nitrate(HAN)-water and boric acid(HB)-water ranging from 278.15 K to 318.15 K.The solubility in each system was found to be positively correlated with temperature.Furthermore,solubility data were analyzed using four equations:the modified Apelblat equation,Van’t Hoff equation,λh equation and CNIBS/R-K equations,and they provided satisfactory results for both two systems.The average root-mean-square deviation(105RMSD)values for these models were less than 13.93.Calculations utilizing the Van’t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems,including values for Gibbs free energy,enthalpy and entropy.The%ζ_(H)is larger than%ζ_(TS),and all the%ζ_(H)data are≥58.63%,indicating that the enthalpy make a greater contribution than entropy to theΔG_(soln)^(Θ).展开更多
In this paper,a new efficient,and at the same time,very simple and general class of thermodynamically compatiblefinite volume schemes is introduced for the discretization of nonlinear,overdetermined,and thermodynamicall...In this paper,a new efficient,and at the same time,very simple and general class of thermodynamically compatiblefinite volume schemes is introduced for the discretization of nonlinear,overdetermined,and thermodynamically compatiblefirst-order hyperbolic systems.By construction,the proposed semi-discrete method satisfies an entropy inequality and is nonlinearly stable in the energy norm.A very peculiar feature of our approach is that entropy is discretized directly,while total energy conservation is achieved as a mere consequence of the thermodynamically compatible discretization.The new schemes can be applied to a very general class of nonlinear systems of hyperbolic PDEs,including both,conservative and non-conservative products,as well as potentially stiff algebraic relaxation source terms,provided that the underlying system is overdetermined and therefore satisfies an additional extra conservation law,such as the conservation of total energy density.The proposed family offinite volume schemes is based on the seminal work of Abgrall[1],where for thefirst time a completely general methodology for the design of thermodynamically compatible numerical methods for overdetermined hyperbolic PDE was presented.We apply our new approach to three particular thermodynamically compatible systems:the equations of ideal magnetohydrodynamics(MHD)with thermodynamically compatible generalized Lagrangian multiplier(GLM)divergence cleaning,the unifiedfirst-order hyperbolic model of continuum mechanics proposed by Godunov,Peshkov,and Romenski(GPR model)and thefirst-order hyperbolic model for turbulent shallow waterflows of Gavrilyuk et al.In addition to formal mathematical proofs of the properties of our newfinite volume schemes,we also present a large set of numerical results in order to show their potential,efficiency,and practical applicability.展开更多
The mechanical and thermodynamic properties of W-Ti alloys(including W_(15)Ti_(1),W_(14)Ti_(2),W_(12)Ti_(4) and W_(8)Ti_(8) alloys)were investigated by the first-principles approach based on density functional theory....The mechanical and thermodynamic properties of W-Ti alloys(including W_(15)Ti_(1),W_(14)Ti_(2),W_(12)Ti_(4) and W_(8)Ti_(8) alloys)were investigated by the first-principles approach based on density functional theory.The results indicate that W-Ti alloys except W_(8)Ti_(8) are thermodynamically stable.The modulus and hardness of W-Ti alloys are smaller than those of pure tungsten and gradually decrease with increasing Ti concentration.However,their B/G ratios and Poisson's ratios exceed those of pure tungsten,suggesting that the introduction of Ti decreases the mechanical strength while enhancing the ductility of W-Ti alloys.The thermal expansion coefficients for W-Ti alloys all surpass those of pure tungsten,indicating that the introduction of titanium exacerbates the thermal expansion behavior of W-Ti alloys.Nevertheless,elevated pressure has the capacity to suppress the thermal expansion tendencies in titanium-doped tungsten alloys.This study offers theoretical insights for the design of nuclear materials by exploring the mechanical and thermodynamic properties of W-Ti alloys.展开更多
Magnesium and magnesium alloys,serving as crucial lightweight structural materials and hydrogen storage elements,find extensive applications in space technology,aviation,automotive,and magnesium-based hydrogen industr...Magnesium and magnesium alloys,serving as crucial lightweight structural materials and hydrogen storage elements,find extensive applications in space technology,aviation,automotive,and magnesium-based hydrogen industries.The global production of primary magnesium has reached approximately 1.2 million tons per year,with anticipated diversification in future applications and significant market demand.Nevertheless,approximately 80%of the world’s primary magnesium is still manufactured through the Pidgeon process,grappling with formidable issues including high energy consumption,massive carbon emission,significant resource depletion,and environmental pollution.The implementation of the relative vacuum method shows potential in breaking through technological challenges in the Pidgeon process,facilitating clean,low-carbon continuous magnesium smelting.This paper begins by introducing the principles of the relative vacuum method.Subsequently,it elucidates various innovative process routes,including relative vacuum ferrosilicon reduction,aluminum thermal reduction co-production of spinel,and aluminum thermal reduction co-production of calcium aluminate.Finally,and thermodynamic foundations of the relative vacuum,a quantitative analysis of the material,energy flows,carbon emission,and production cost for several new processes is conducted,comparing and analyzing them against the Pidgeon process.The study findings reveal that,with identical raw materials,the relative vacuum silicon thermal reduction process significantly decreases raw material consumption,energy consumption,and carbon dioxide emissions by 15.86%,30.89%,and 26.27%,respectively,compared to the Pidgeon process.The relative vacuum process,using magnesite as the raw material and aluminum as the reducing agent,has the lowest magnesium-to-feed ratio,at only 3.385.Additionally,its energy consumption and carbon dioxide emissions are the lowest,at 1.817 tce/t Mg and 7.782 t CO_(2)/t Mg,respectively.The energy consumption and carbon emissions of the relative vacuum magnesium smelting process co-producing calcium aluminate(12CaO·7Al_(2)O_(3),3CaO·Al_(2)O_(3),and CaO·Al_(2)O_(3))are highly correlated with the consumption of dolomite in the raw materials.When the reduction temperature is around 1473.15 K,the critical volume fraction of magnesium vapor for different processes varies within the range of 5%–40%.Production cost analysis shows that the relative vacuum primary magnesium smelting process has significant economic benefits.This paper offers essential data support and theoretical guidance for achieving energy efficiency,carbon reduction in magnesium smelting,and the industrial adoption of innovative processes.展开更多
A series of Al-xSi-yGe filler metals(x=4–12 and y=10–40,wt%)were prepared,and the effect of Si and Ge on microstructure and melting characteristics of filler metals was studied.The thermodynamic model of Al-Si-Ge te...A series of Al-xSi-yGe filler metals(x=4–12 and y=10–40,wt%)were prepared,and the effect of Si and Ge on microstructure and melting characteristics of filler metals was studied.The thermodynamic model of Al-Si-Ge ternary alloy was established to analyze the phase formation mechanism of filler metals based on Miedema model,Tanaka model,and Toop equation.This research provided a basis for the composition optimization of filler metals and the analysis of metallurgical reaction process between filler metals and base materials.Results show that Al-Si-Ge alloy is composed of Al-Ge eutectic phase,Al-Si eutectic phase,and primary Si.Ge addition promotes the precipitation of primary Si.Ge is the main melting point depressant element of filler metals.With the increase in Ge content from 10wt%to 40wt%,the solid phase line of filler metals remains unchanged,whereas the liquidus temperature decreases from 567.65°C to 499.96°C.With the increase in Ge content of filler metal,Ge content in eutectic Si phase is increased,the endothermic peak of Al-Si eutectic reaction according to thermogravimetry curve becomes smoother,and Al-Si eutectic temperature is decreased.Ge addition can reduce the free energy of Al-Si alloy system.The lowest point of free energy is located on Al-Ge side.The eutectic Ge phase with the composition similar to pure Ge composition is the most likely to appear in the microstructure of filler metals,whereas the eutectic Si phase with the composition similar to pure Si composition is the least likely to appear.The thermodynamic calculation results are consistent with the experiment results.展开更多
This work investigates the potential of low-pressure,medium-speed dual-fuel engines for cleaner maritime transportation.The thermodynamic performance of these engines is explored using three alternative fuels:liquefie...This work investigates the potential of low-pressure,medium-speed dual-fuel engines for cleaner maritime transportation.The thermodynamic performance of these engines is explored using three alternative fuels:liquefied natural gas(LNG),methanol,and ammonia.A parametric analysis examines the effect of adjustments to key engine parameters(compression ratio,boost pressure,and air-fuel ratio)on performance.Results show an initial improvement in performance with an increase in compression ratio,which reaches a peak and then declines.Similarly,increases in boost pressure and air-fuel ratio lead to linear performance gains.However,insufficient cooling reduces the amount of fuel burned,which hinders performance.Exergy analysis reveals significant exergy destruction within the engine,which ranges from 69.96%(methanol)to 78.48%(LNG).Notably,the combustion process is the leading cause of exergy loss.Among the fuels tested,methanol exhibits the lowest combustion-related exergy destruction(56.41%),followed by ammonia(62.12%)and LNG(73.77%).These findings suggest that methanol is a promising near-term alternative to LNG for marine fuel applications.展开更多
Density(p),speed of sound(u),viscosity(η),and refractive index(n_(D))were measured for pure acetonitrile,trichloroethene,and tetrachloroethene,as well as their binary mixtures at temperatures T=(293.15,298.15,303.15)...Density(p),speed of sound(u),viscosity(η),and refractive index(n_(D))were measured for pure acetonitrile,trichloroethene,and tetrachloroethene,as well as their binary mixtures at temperatures T=(293.15,298.15,303.15)K and at ambient pressure(81.5 kPa).From the experimental data,excess molar volume(V_(m)~E),thermal expansion coefficients(α),deviations in isentropic compressibility(Δκ_(S)),viscosity(Δ_η),and refractive index(Δn_(D))were calculated.These values were then correlated using the Redlich-Kister polynomial equation,with fitting coefficients and standard deviations determined.Additionally,the Prigogine-Flory-Patterson(PFP)theory and the Extended Real Associated Solution(ERAS)model were employed to correlate the excess molar volume,while the Perturbed Chain Statistical Associating Fluid Theory(PC-SAFT)was used to predict the density of mixtures.展开更多
Thermodynamic modeling is still themostwidely usedmethod to characterize aerosol acidity,a critical physicochemical property of atmospheric aerosols.However,it remains unclear whether gas-aerosol partitioning should b...Thermodynamic modeling is still themostwidely usedmethod to characterize aerosol acidity,a critical physicochemical property of atmospheric aerosols.However,it remains unclear whether gas-aerosol partitioning should be incorporated when thermodynamicmodels are employed to estimate the acidity of coarse particles.In this work,field measurements were conducted at a coastal city in northern China across three seasons,and covered wide ranges of temperature,relative humidity and NH_(3) concentrations.We examined the performance of different modes of ISORROPIA-II(a widely used aerosol thermodynamic model)in estimating aerosol acidity of coarse and fine particles.The M0 mode,which incorporates gas-phase data and runs the model in the forward mode,provided reasonable estimation of aerosol acidity for coarse and fine particles.Compared to M0,the M1 mode,which runs the model in the forward mode but does not include gas-phase data,may capture the general trend of aerosol acidity but underestimates pH for both coarse and fine particles;M2,which runs the model in the reverse mode,results in large errors in estimated aerosol pH for both coarse and fine particles and should not be used for aerosol acidity calculations.However,M1 significantly underestimates liquid water contents for both fine and coarse particles,while M2 provides reliable estimation of liquid water contents.In summary,our work highlights the importance of incorporating gas-aerosol partitioning when estimating coarse particle acidity,and thus may help improve our understanding of acidity of coarse particles.展开更多
The thermal effects,spontaneity and proceeding degree of 32 chemical reactions during coal reductive decomposition phosphogypsum(PG)to prepare CaO and SO_(2)are analyzed utilizing thermodynamic theory and method.The i...The thermal effects,spontaneity and proceeding degree of 32 chemical reactions during coal reductive decomposition phosphogypsum(PG)to prepare CaO and SO_(2)are analyzed utilizing thermodynamic theory and method.The ideal reaction temperature for PG decomposition and desulfurization is 1173-1273 K.The 10 key chemical reactions controlling coal reductive decomposition PG have been selected.The heat release of critical exothermic reactions can satisfy the autothermal operation of PG decomposition and desulfurization process.Meanwhile,the spontaneity of oxidation reactions has thermodynamically priority over reduction reactions.But the reaction mechanism shows that the oxidation of CaS by O_(2)is in parallel competition with the reduction of CaSO_(4)by CO and C.Furthermore,clarifying the regulatory mechanisms of PG decomposition temperature and reaction atmosphere(reducibility and oxidation)is beneficial for maximizing the production of CaO and SO_(2).展开更多
Mg-Zn-Mn alloys have the advantages of low cost,excellent mechanical properties,and high corrosion resistance.To clarify the phase equilibria of Mg-Zn-Mn alloy in the Mg-rich corners,the present work experimentally in...Mg-Zn-Mn alloys have the advantages of low cost,excellent mechanical properties,and high corrosion resistance.To clarify the phase equilibria of Mg-Zn-Mn alloy in the Mg-rich corners,the present work experimentally investigated the phase equilibria in the Mg-rich corner at 300-400°C with equilibrated alloy method using electron probe micro analyzer(EPMA),X-ray diffractometer(XRD),transmission electron microscopy(TEM),and differential scanning calorimeter(DSC).Mn atoms were found to dissolve into MgZn_(2) to form a ternary solid-solution type compound,in which Mn content can be up to 15.1at%at 400°C.Three-phase equilibrium ofα-Mg+MgZn_(2)+α-Mn and liquid+α-Mg+MgZn_(2) were confirmed at 400°C.Subsequently,thermodynamic modeling of the Mg-Zn-Mn system was carried out using the CALPHAD method based on the experimental data of this work and literature data.The calculated invariant reaction Liquid+α-Mn→α-Mg+MgZn_(2) at 430°C shows good agreement with the DSC results.In addition,the results of solidification path calculations explain the microstructure in the ascast and annealed alloys well.The agreement between the calculated results and experimental data proves the self-consistency of the thermodynamic database,which can provide guidance for the compositional design of Mg-Zn-Mn alloys.展开更多
Magnesium and its compounds are recognized as favorable materials for structural uses,primarily due to their lightweight nature and remarkable specific strength.This research employed first-principles methodologies to...Magnesium and its compounds are recognized as favorable materials for structural uses,primarily due to their lightweight nature and remarkable specific strength.This research employed first-principles methodologies to investigate how pressure affects the crystal structure along with the elastic and thermodynamic characteristics of MgXY_(2)(X=Zn,Cd,and Y=Ag,Au,Cu)compounds.All analyses were implemented via the Perdew-Burke-Ernzerhof variant of the Generalized Gradient Approximation alongside a plane-wave ultrasoft pseudopotential approach.The findings on the elastic constants indicated that these MgXY_(2)compounds have maintained their stability at pressures up to 500 kBar.These constants informed detailed assessments of properties like elastic modulus,Poisson’s ratio,Vickers hardness,and material anisotropy.The Quantum Espresso software was utilized to calculate melting points,Debye temperature,and minimum thermal conductivity values.A temperature range spanning from 0 to 800 K allowed for an evaluation of vibrational energy,free energy,entropy,and specific heat capacity metrics.The anticipated physical attributes suggest significant potential for these magnesium compounds in biomedical fields.展开更多
For chromatographic separation,the reasonable modulation of stationary phases is the key factor to achieve high separation performance.We proposed that developing MOF stationary phases through precisely modulating the...For chromatographic separation,the reasonable modulation of stationary phases is the key factor to achieve high separation performance.We proposed that developing MOF stationary phases through precisely modulating the thermodynamic interactions between MOFs and analytes is conducive to improving the separation resolution.MIL-125,MIL-125-NH_(2),MIL-143-BTB,and MIL-143-TATB were developed as stationary phases with the careful modulation of organic ligands.MIL-125-NH_(2)and MIL-143-TATB coated columns exhibited much better separation performance than their counterparts,MIL-125 and MIL-143-BTB,respectively.The investigation of the separation mechanism indicated that thermodynamic interaction,rather than kinetic diffusion,was responsible for the separation improvement.MIL-125-NH_(2)and MIL-143-TATB provided stronger and distinguishable interactions with targets than corresponding MIL-125 and MIL-143-BTB,respectively,resulting in enhanced separation performance.This work demonstrates a guide to improving the separation performance of MOF stationary phases by increasing the thermodynamic interactions between MOFs and analytes.展开更多
Magnesium(Mg)alloys are widely used lightweight structural materials for automobiles and help reduce carbon emissions.However,their use increases the production of Mg alloy scrap,which is recycled at a much lower rate...Magnesium(Mg)alloys are widely used lightweight structural materials for automobiles and help reduce carbon emissions.However,their use increases the production of Mg alloy scrap,which is recycled at a much lower rate than aluminum,and its greater complexity poses challenges to existing recycling processes.Although vacuum distillation can be used to recycle Mg alloy scrap,this requires optimizing and maximizing metal recirculation,but there has been no thermodynamic analysis of this process.In this study,the feasibility and controllability of separating inclusions and 23 metal impurities were evaluated,and their distribution and removal limits were quantified.Thermodynamic analyses and experimental results showed that inclusions and impurity metals of separation coefficient lgβ_(i)≤-5,including Cu,Fe,Co,and Ni below 0.001 ppm,could be removed from the matrix.All Zn entered the recycled Mg,while impurities with-1<lgβ_(i)<-5 such as Li,Ca,and Mn severely affected the purity of the recycled Mg during the later stage of distillation.Therefore,an optimization strategy for vacuum distillation recycling:lower temperatures and higher system pressures for Zn separation in the early stage,and the early termination of the recovery process in the later stage or a continuous supply of raw melt can also prevent contamination during recycling.The alloying elements Al and Zn in Mg alloy scrap can be further recovered and purified by vacuum distillation when economically feasible,to maximize the recycling of metal resources.展开更多
The phase equilibria relationship of the system RbCl-PEG6000-H2O were investigated at temperatures of 288.2,298.2,and 308.2 K,the compositions of solid-liquid equilibria(SLE)and liquid-liquid equilibria(LLE)were deter...The phase equilibria relationship of the system RbCl-PEG6000-H2O were investigated at temperatures of 288.2,298.2,and 308.2 K,the compositions of solid-liquid equilibria(SLE)and liquid-liquid equilibria(LLE)were determined.The complete phase diagrams,binodal curve diagrams,and tie-line diagrams were all plotted.Results show that both solid-liquid equilibria and liquid-liquid equilibria relationships at each studied temperature.The complete phase diagrams at 288.2 K,298.2 K and 308.2 K consist of six phase regions:unsaturated liquid region(L),two saturated solutions with one solid phase of RbCl(L_S),one saturated liquid phase with two solid phases of PEG6000 and RbCl(2S+L),an aqueous two-phase region(2L),and a region with two liquids and one solid phase of RbCl(2L_S).With the increase in temperature,the layering ability of the aqueous two-phase system increases,and both regions(2L)and(2L_S)increase.The binodal curves were fitted using the nonlinear equations proposed by Mistry,Hu,and Jayapal.Additionally,the tie-line data were correlated with the Othmer-Tobias,Bancroft,Hand,and Bachman equations.The liquid-liquid equilibria at 288.2 K,298.2 K and 308.2 K were calculated using the NRTL model.The findings confirm that the experimental and calculated values are in close agreement,demonstrating the model’s effectiveness in representing the system’s behavior.展开更多
It is shown that time asymmetry is essential for deriving thermodynamic law and arises from the turnover of energy while reducing its information content and driving entropy increase. A dynamically interpreted princip...It is shown that time asymmetry is essential for deriving thermodynamic law and arises from the turnover of energy while reducing its information content and driving entropy increase. A dynamically interpreted principle of least action enables time asymmetry and time flow as a generation of action and redefines useful energy as an information system which implements a form of acting information. This is demonstrated using a basic formula, originally applied for time symmetry/energy conservation considerations, relating time asymmetry (which is conventionally denied but here expressly allowed), to energy behaviour. The results derived then explained that a dynamic energy is driving time asymmetry. It is doing it by decreasing the information content of useful energy, thus generating action and entropy increase, explaining action-time as an information phenomenon. Thermodynamic laws follow directly. The formalism derived readily explains what energy is, why it is conserved (1st law of thermodynamics), why entropy increases (2nd law) and that maximum entropy production within the restraints of the system controls self-organized processes of non-linear irreversible thermodynamics. The general significance of the principle of least action arises from its role of controlling the action generating oriented time of nature. These results contrast with present understanding of time neutrality and clock-time, which are here considered a source of paradoxes, intellectual contradictions and dead-end roads in models explaining nature and the universe.展开更多
The effects of pressure on the structural stability,elasticity,electronic properties,and thermodynamic properties of Al,Al_(3)Cu,Al_(2)Cu,Al_(4)Cu_(9),AlCu_(3),and Cu were investigated using first-principles calculati...The effects of pressure on the structural stability,elasticity,electronic properties,and thermodynamic properties of Al,Al_(3)Cu,Al_(2)Cu,Al_(4)Cu_(9),AlCu_(3),and Cu were investigated using first-principles calculations.The experimental results indicate that the calculated equilibrium lattice constant,elastic constant,and elastic modulus agree with both theoretical and experimental data at 0 GPa.The Young's modulus,bulk modulus,and shear modulus increase with increasing pressure.The influence of pressure on mechanical properties is explained from a chemical bond perspective.By employing the quasi-harmonic approximation model of phonon calculation,the temperature and pressure dependence of thermodynamic parameters in the range of 0 to 800 K and 0 to 100 GPa are determined.The findings demonstrate that the thermal capacity and coefficient of thermal expansion increase with increasing temperature and decrease with increasing pressure.This study provides fundamental data and support for experimental investigations and further theoretical research on the properties of aluminum-copper intermetallic compounds.展开更多
The micellization behavior and thermodynamic properties of cetyltrimethylammonium bromide(CTAB)in single lithium chloride(LiCl),potassium chloride(KCl),magnesium chloride(MgCl_(2))and calcium chloride(CaCl_(2))solutio...The micellization behavior and thermodynamic properties of cetyltrimethylammonium bromide(CTAB)in single lithium chloride(LiCl),potassium chloride(KCl),magnesium chloride(MgCl_(2))and calcium chloride(CaCl_(2))solutions were investigated at 288.15318.15 K.Result showed that the critical micelle concentration(CMC)values of CTAB in all solutions decreased to a minimum value around 298.15 K and then increased with further increasing the temperature.In all cases,the CMC values decreased with increasing salt concentration at each temperature.Additionally,the introduction of any single salt resulted in a reduction of CMC values for CTAB,attributed to the combined effects of counterions and entropy-driven interactions.The observed trend for CMC values was as follows:CMCH_(2)O>CMCKCl>CMCLiCl>CMCCaCl_(2)>CMCMgCl_(2).Furthermore,standard thermodynamic parameters,including standard free energy of micellization(ΔDG_(m)^(0)),standard enthalpy of micellization(ΔDH0m)and standard entropy of micellization(DS0 m),were calculated based on the obtained CMC values.The negative values ofΔDG_(m)^(0)indicated that the formation of CTAB micelles was a spontaneous behavior.The variations inΔDH0m andΔDS_(m)^(0)suggested that micellization was primarily entropy-driven at temperatures between 288.15 and 298.15 K,while it was influenced by both entropy and enthalpy from 298.15 to 318.15 K.Fourier transform infrared spectroscopy(FTIR)and transmission electron microscope(TEM)were employed to further explore the effects of salts on the micellization behavior of CTAB.展开更多
Low-heat Portland(LHP)cement is a new type of Portland cement that has been widely used in recent years due to its low heat of hydration,which makes it exceptional in temperature control for mass concrete construction...Low-heat Portland(LHP)cement is a new type of Portland cement that has been widely used in recent years due to its low heat of hydration,which makes it exceptional in temperature control for mass concrete construction.However,limited studies have investigated the impact of temperature and magnesium oxide(MgO)content on LHP cement-based materials.This study utilizes thermodynamic simulations to study the hydration process,pore structure,and autogenous shrinkage of LHP cement pastes with different water-to-cement ratios(0.3,0.4,and 0.5),curing temperatures(5,15,20,and 30℃),and MgO contents(mass fractions of 2%,4%,and 5%).Higher curing temperature is found to promote the hydration reactions in cement paste.Moreover,the incorporation of 4%MgO moderately decreases both porosity and dimensional shrinkage in pastes.The microstructural evolution of different LHP pastes is examined through a comparative analysis,lending insights into LHP cement-based material applications.展开更多
Steel–flux reactions involving the high aluminum(0.75–3.85 wt.%Al)low manganese(2.2 wt.%Mn)steel and the 18 wt.%SiO_(2)–18 wt.%Al2O3 mold flux were investigated.The results indicated that the reaction rate increase...Steel–flux reactions involving the high aluminum(0.75–3.85 wt.%Al)low manganese(2.2 wt.%Mn)steel and the 18 wt.%SiO_(2)–18 wt.%Al2O3 mold flux were investigated.The results indicated that the reaction rate increased when the initial aluminum content increased from 0.76 to 3.85 wt.%.Utilizing the two-film theory,a steel–flux reaction kinetic model controlled by mass transfer was established,which considered the influence of the initial composition on the density of liquid steel and flux.The mass transfer of aluminum in the steel phase was the reaction rate-determining step.It was confirmed that the mass transfer coefficient of Al was 1.87×10^(−4).The predicted results of the kinetic model were consistent and reliable with the experimental results.Thermodynamic equilibrium calculation was performed using FactSage 8.2,which was compared with the steel and flux final composition after 30 min.The content of initial aluminum in the liquid steel played a critical role in the SiO_(2)equilibrium content of the mold flux.In addition,the steel–flux reaction between[Al]and(SiO_(2))occurred with the initial SiO_(2)content in the mold flux lower than 3 wt.%.展开更多
文摘In this paper, we analyze the enthalpy, enthalpy energy density, thermodynamic volume, and the equation of state of a modified white hole. We obtain new possible mathematical connections with some sectors of Number Theory, Ramanujan Recurring Numbers, DN Constant and String Theory, that enable us to extract the quantum geometrical properties of these thermodynamic equations and the implication to the quantum vacuum spacetime geometry of our early universe as they act as the constraints to the nature of quantum gravity of the universe.
文摘Using a dynamic laser monitoring technique,the solubility of 3-nitro-1,2,4-triazole-5-one(NTO)was investigated in two different binary systems,namely hydroxylamine nitrate(HAN)-water and boric acid(HB)-water ranging from 278.15 K to 318.15 K.The solubility in each system was found to be positively correlated with temperature.Furthermore,solubility data were analyzed using four equations:the modified Apelblat equation,Van’t Hoff equation,λh equation and CNIBS/R-K equations,and they provided satisfactory results for both two systems.The average root-mean-square deviation(105RMSD)values for these models were less than 13.93.Calculations utilizing the Van’t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems,including values for Gibbs free energy,enthalpy and entropy.The%ζ_(H)is larger than%ζ_(TS),and all the%ζ_(H)data are≥58.63%,indicating that the enthalpy make a greater contribution than entropy to theΔG_(soln)^(Θ).
文摘In this paper,a new efficient,and at the same time,very simple and general class of thermodynamically compatiblefinite volume schemes is introduced for the discretization of nonlinear,overdetermined,and thermodynamically compatiblefirst-order hyperbolic systems.By construction,the proposed semi-discrete method satisfies an entropy inequality and is nonlinearly stable in the energy norm.A very peculiar feature of our approach is that entropy is discretized directly,while total energy conservation is achieved as a mere consequence of the thermodynamically compatible discretization.The new schemes can be applied to a very general class of nonlinear systems of hyperbolic PDEs,including both,conservative and non-conservative products,as well as potentially stiff algebraic relaxation source terms,provided that the underlying system is overdetermined and therefore satisfies an additional extra conservation law,such as the conservation of total energy density.The proposed family offinite volume schemes is based on the seminal work of Abgrall[1],where for thefirst time a completely general methodology for the design of thermodynamically compatible numerical methods for overdetermined hyperbolic PDE was presented.We apply our new approach to three particular thermodynamically compatible systems:the equations of ideal magnetohydrodynamics(MHD)with thermodynamically compatible generalized Lagrangian multiplier(GLM)divergence cleaning,the unifiedfirst-order hyperbolic model of continuum mechanics proposed by Godunov,Peshkov,and Romenski(GPR model)and thefirst-order hyperbolic model for turbulent shallow waterflows of Gavrilyuk et al.In addition to formal mathematical proofs of the properties of our newfinite volume schemes,we also present a large set of numerical results in order to show their potential,efficiency,and practical applicability.
基金Funded by National Key R&D Program of China(No.2021YFB3802300)the National Natural Science Foundation of China(No.52171045)the Joint Fund(No.8091B022108)。
文摘The mechanical and thermodynamic properties of W-Ti alloys(including W_(15)Ti_(1),W_(14)Ti_(2),W_(12)Ti_(4) and W_(8)Ti_(8) alloys)were investigated by the first-principles approach based on density functional theory.The results indicate that W-Ti alloys except W_(8)Ti_(8) are thermodynamically stable.The modulus and hardness of W-Ti alloys are smaller than those of pure tungsten and gradually decrease with increasing Ti concentration.However,their B/G ratios and Poisson's ratios exceed those of pure tungsten,suggesting that the introduction of Ti decreases the mechanical strength while enhancing the ductility of W-Ti alloys.The thermal expansion coefficients for W-Ti alloys all surpass those of pure tungsten,indicating that the introduction of titanium exacerbates the thermal expansion behavior of W-Ti alloys.Nevertheless,elevated pressure has the capacity to suppress the thermal expansion tendencies in titanium-doped tungsten alloys.This study offers theoretical insights for the design of nuclear materials by exploring the mechanical and thermodynamic properties of W-Ti alloys.
基金supported by the China Postdoctoral Science Foundation(No.2023T160088)the Youth Fund of the National Natural Science Foundation of China(No.52304324).
文摘Magnesium and magnesium alloys,serving as crucial lightweight structural materials and hydrogen storage elements,find extensive applications in space technology,aviation,automotive,and magnesium-based hydrogen industries.The global production of primary magnesium has reached approximately 1.2 million tons per year,with anticipated diversification in future applications and significant market demand.Nevertheless,approximately 80%of the world’s primary magnesium is still manufactured through the Pidgeon process,grappling with formidable issues including high energy consumption,massive carbon emission,significant resource depletion,and environmental pollution.The implementation of the relative vacuum method shows potential in breaking through technological challenges in the Pidgeon process,facilitating clean,low-carbon continuous magnesium smelting.This paper begins by introducing the principles of the relative vacuum method.Subsequently,it elucidates various innovative process routes,including relative vacuum ferrosilicon reduction,aluminum thermal reduction co-production of spinel,and aluminum thermal reduction co-production of calcium aluminate.Finally,and thermodynamic foundations of the relative vacuum,a quantitative analysis of the material,energy flows,carbon emission,and production cost for several new processes is conducted,comparing and analyzing them against the Pidgeon process.The study findings reveal that,with identical raw materials,the relative vacuum silicon thermal reduction process significantly decreases raw material consumption,energy consumption,and carbon dioxide emissions by 15.86%,30.89%,and 26.27%,respectively,compared to the Pidgeon process.The relative vacuum process,using magnesite as the raw material and aluminum as the reducing agent,has the lowest magnesium-to-feed ratio,at only 3.385.Additionally,its energy consumption and carbon dioxide emissions are the lowest,at 1.817 tce/t Mg and 7.782 t CO_(2)/t Mg,respectively.The energy consumption and carbon emissions of the relative vacuum magnesium smelting process co-producing calcium aluminate(12CaO·7Al_(2)O_(3),3CaO·Al_(2)O_(3),and CaO·Al_(2)O_(3))are highly correlated with the consumption of dolomite in the raw materials.When the reduction temperature is around 1473.15 K,the critical volume fraction of magnesium vapor for different processes varies within the range of 5%–40%.Production cost analysis shows that the relative vacuum primary magnesium smelting process has significant economic benefits.This paper offers essential data support and theoretical guidance for achieving energy efficiency,carbon reduction in magnesium smelting,and the industrial adoption of innovative processes.
基金National Natural Science Foundation of China(U22A20191)。
文摘A series of Al-xSi-yGe filler metals(x=4–12 and y=10–40,wt%)were prepared,and the effect of Si and Ge on microstructure and melting characteristics of filler metals was studied.The thermodynamic model of Al-Si-Ge ternary alloy was established to analyze the phase formation mechanism of filler metals based on Miedema model,Tanaka model,and Toop equation.This research provided a basis for the composition optimization of filler metals and the analysis of metallurgical reaction process between filler metals and base materials.Results show that Al-Si-Ge alloy is composed of Al-Ge eutectic phase,Al-Si eutectic phase,and primary Si.Ge addition promotes the precipitation of primary Si.Ge is the main melting point depressant element of filler metals.With the increase in Ge content from 10wt%to 40wt%,the solid phase line of filler metals remains unchanged,whereas the liquidus temperature decreases from 567.65°C to 499.96°C.With the increase in Ge content of filler metal,Ge content in eutectic Si phase is increased,the endothermic peak of Al-Si eutectic reaction according to thermogravimetry curve becomes smoother,and Al-Si eutectic temperature is decreased.Ge addition can reduce the free energy of Al-Si alloy system.The lowest point of free energy is located on Al-Ge side.The eutectic Ge phase with the composition similar to pure Ge composition is the most likely to appear in the microstructure of filler metals,whereas the eutectic Si phase with the composition similar to pure Si composition is the least likely to appear.The thermodynamic calculation results are consistent with the experiment results.
文摘This work investigates the potential of low-pressure,medium-speed dual-fuel engines for cleaner maritime transportation.The thermodynamic performance of these engines is explored using three alternative fuels:liquefied natural gas(LNG),methanol,and ammonia.A parametric analysis examines the effect of adjustments to key engine parameters(compression ratio,boost pressure,and air-fuel ratio)on performance.Results show an initial improvement in performance with an increase in compression ratio,which reaches a peak and then declines.Similarly,increases in boost pressure and air-fuel ratio lead to linear performance gains.However,insufficient cooling reduces the amount of fuel burned,which hinders performance.Exergy analysis reveals significant exergy destruction within the engine,which ranges from 69.96%(methanol)to 78.48%(LNG).Notably,the combustion process is the leading cause of exergy loss.Among the fuels tested,methanol exhibits the lowest combustion-related exergy destruction(56.41%),followed by ammonia(62.12%)and LNG(73.77%).These findings suggest that methanol is a promising near-term alternative to LNG for marine fuel applications.
基金Bu-Ali Sina University for providing financial support for conducting this study。
文摘Density(p),speed of sound(u),viscosity(η),and refractive index(n_(D))were measured for pure acetonitrile,trichloroethene,and tetrachloroethene,as well as their binary mixtures at temperatures T=(293.15,298.15,303.15)K and at ambient pressure(81.5 kPa).From the experimental data,excess molar volume(V_(m)~E),thermal expansion coefficients(α),deviations in isentropic compressibility(Δκ_(S)),viscosity(Δ_η),and refractive index(Δn_(D))were calculated.These values were then correlated using the Redlich-Kister polynomial equation,with fitting coefficients and standard deviations determined.Additionally,the Prigogine-Flory-Patterson(PFP)theory and the Extended Real Associated Solution(ERAS)model were employed to correlate the excess molar volume,while the Perturbed Chain Statistical Associating Fluid Theory(PC-SAFT)was used to predict the density of mixtures.
基金supported by the National Natural Science Foundation of China (Nos.42022050 and 42277088)the Guangdong Basic and Applied Basic Research Fund Committee (Nos.2021A1515011248 and 2023A1515012010)the Guangdong Foundation for the Program of Science and Technology Research (No.2020B1212060053).
文摘Thermodynamic modeling is still themostwidely usedmethod to characterize aerosol acidity,a critical physicochemical property of atmospheric aerosols.However,it remains unclear whether gas-aerosol partitioning should be incorporated when thermodynamicmodels are employed to estimate the acidity of coarse particles.In this work,field measurements were conducted at a coastal city in northern China across three seasons,and covered wide ranges of temperature,relative humidity and NH_(3) concentrations.We examined the performance of different modes of ISORROPIA-II(a widely used aerosol thermodynamic model)in estimating aerosol acidity of coarse and fine particles.The M0 mode,which incorporates gas-phase data and runs the model in the forward mode,provided reasonable estimation of aerosol acidity for coarse and fine particles.Compared to M0,the M1 mode,which runs the model in the forward mode but does not include gas-phase data,may capture the general trend of aerosol acidity but underestimates pH for both coarse and fine particles;M2,which runs the model in the reverse mode,results in large errors in estimated aerosol pH for both coarse and fine particles and should not be used for aerosol acidity calculations.However,M1 significantly underestimates liquid water contents for both fine and coarse particles,while M2 provides reliable estimation of liquid water contents.In summary,our work highlights the importance of incorporating gas-aerosol partitioning when estimating coarse particle acidity,and thus may help improve our understanding of acidity of coarse particles.
基金financial support by the Phosphogypsum Low-Temperature Decomposition to Produce Calcium-Based Materials and Sulfuric Acid Raw Gas Technology(Horizontal Project)(8503009049)National Natural Science Foundation of China(52376101).
文摘The thermal effects,spontaneity and proceeding degree of 32 chemical reactions during coal reductive decomposition phosphogypsum(PG)to prepare CaO and SO_(2)are analyzed utilizing thermodynamic theory and method.The ideal reaction temperature for PG decomposition and desulfurization is 1173-1273 K.The 10 key chemical reactions controlling coal reductive decomposition PG have been selected.The heat release of critical exothermic reactions can satisfy the autothermal operation of PG decomposition and desulfurization process.Meanwhile,the spontaneity of oxidation reactions has thermodynamically priority over reduction reactions.But the reaction mechanism shows that the oxidation of CaS by O_(2)is in parallel competition with the reduction of CaSO_(4)by CO and C.Furthermore,clarifying the regulatory mechanisms of PG decomposition temperature and reaction atmosphere(reducibility and oxidation)is beneficial for maximizing the production of CaO and SO_(2).
基金financial support by the National Key Research and Development Program of China(No.2023YFB3809101)the National Natural Science Foundation of China(Nos.52371010 and 52422407)+1 种基金the Science and Technology Committee of Shanghai,China(No.21ZR1423600)the Open Project of State Key Laboratory of Baiyunobo Rare Earth Resources Researches and Comprehensive Utilization,China.
文摘Mg-Zn-Mn alloys have the advantages of low cost,excellent mechanical properties,and high corrosion resistance.To clarify the phase equilibria of Mg-Zn-Mn alloy in the Mg-rich corners,the present work experimentally investigated the phase equilibria in the Mg-rich corner at 300-400°C with equilibrated alloy method using electron probe micro analyzer(EPMA),X-ray diffractometer(XRD),transmission electron microscopy(TEM),and differential scanning calorimeter(DSC).Mn atoms were found to dissolve into MgZn_(2) to form a ternary solid-solution type compound,in which Mn content can be up to 15.1at%at 400°C.Three-phase equilibrium ofα-Mg+MgZn_(2)+α-Mn and liquid+α-Mg+MgZn_(2) were confirmed at 400°C.Subsequently,thermodynamic modeling of the Mg-Zn-Mn system was carried out using the CALPHAD method based on the experimental data of this work and literature data.The calculated invariant reaction Liquid+α-Mn→α-Mg+MgZn_(2) at 430°C shows good agreement with the DSC results.In addition,the results of solidification path calculations explain the microstructure in the ascast and annealed alloys well.The agreement between the calculated results and experimental data proves the self-consistency of the thermodynamic database,which can provide guidance for the compositional design of Mg-Zn-Mn alloys.
基金support of the National Center for High Performance Computing(UHe M)#1012332022#。
文摘Magnesium and its compounds are recognized as favorable materials for structural uses,primarily due to their lightweight nature and remarkable specific strength.This research employed first-principles methodologies to investigate how pressure affects the crystal structure along with the elastic and thermodynamic characteristics of MgXY_(2)(X=Zn,Cd,and Y=Ag,Au,Cu)compounds.All analyses were implemented via the Perdew-Burke-Ernzerhof variant of the Generalized Gradient Approximation alongside a plane-wave ultrasoft pseudopotential approach.The findings on the elastic constants indicated that these MgXY_(2)compounds have maintained their stability at pressures up to 500 kBar.These constants informed detailed assessments of properties like elastic modulus,Poisson’s ratio,Vickers hardness,and material anisotropy.The Quantum Espresso software was utilized to calculate melting points,Debye temperature,and minimum thermal conductivity values.A temperature range spanning from 0 to 800 K allowed for an evaluation of vibrational energy,free energy,entropy,and specific heat capacity metrics.The anticipated physical attributes suggest significant potential for these magnesium compounds in biomedical fields.
基金supported by the National Natural Science Foundation of China(Nos.22174067,22204078,22374077,and 22474059)the Natural Science Foundation of Jiangsu Province of China(No.BK20220370)+2 种基金Jiangsu Provincial Department of Education(No.22KJB150009)Jiangsu Association for Science and Technology(No.TJ-2023-076)the Priority Academic Program Development of Jiangsu Higher Education Institutions。
文摘For chromatographic separation,the reasonable modulation of stationary phases is the key factor to achieve high separation performance.We proposed that developing MOF stationary phases through precisely modulating the thermodynamic interactions between MOFs and analytes is conducive to improving the separation resolution.MIL-125,MIL-125-NH_(2),MIL-143-BTB,and MIL-143-TATB were developed as stationary phases with the careful modulation of organic ligands.MIL-125-NH_(2)and MIL-143-TATB coated columns exhibited much better separation performance than their counterparts,MIL-125 and MIL-143-BTB,respectively.The investigation of the separation mechanism indicated that thermodynamic interaction,rather than kinetic diffusion,was responsible for the separation improvement.MIL-125-NH_(2)and MIL-143-TATB provided stronger and distinguishable interactions with targets than corresponding MIL-125 and MIL-143-BTB,respectively,resulting in enhanced separation performance.This work demonstrates a guide to improving the separation performance of MOF stationary phases by increasing the thermodynamic interactions between MOFs and analytes.
文摘Magnesium(Mg)alloys are widely used lightweight structural materials for automobiles and help reduce carbon emissions.However,their use increases the production of Mg alloy scrap,which is recycled at a much lower rate than aluminum,and its greater complexity poses challenges to existing recycling processes.Although vacuum distillation can be used to recycle Mg alloy scrap,this requires optimizing and maximizing metal recirculation,but there has been no thermodynamic analysis of this process.In this study,the feasibility and controllability of separating inclusions and 23 metal impurities were evaluated,and their distribution and removal limits were quantified.Thermodynamic analyses and experimental results showed that inclusions and impurity metals of separation coefficient lgβ_(i)≤-5,including Cu,Fe,Co,and Ni below 0.001 ppm,could be removed from the matrix.All Zn entered the recycled Mg,while impurities with-1<lgβ_(i)<-5 such as Li,Ca,and Mn severely affected the purity of the recycled Mg during the later stage of distillation.Therefore,an optimization strategy for vacuum distillation recycling:lower temperatures and higher system pressures for Zn separation in the early stage,and the early termination of the recovery process in the later stage or a continuous supply of raw melt can also prevent contamination during recycling.The alloying elements Al and Zn in Mg alloy scrap can be further recovered and purified by vacuum distillation when economically feasible,to maximize the recycling of metal resources.
基金supported by the National Natural Science Foundation of China(U1507111).
文摘The phase equilibria relationship of the system RbCl-PEG6000-H2O were investigated at temperatures of 288.2,298.2,and 308.2 K,the compositions of solid-liquid equilibria(SLE)and liquid-liquid equilibria(LLE)were determined.The complete phase diagrams,binodal curve diagrams,and tie-line diagrams were all plotted.Results show that both solid-liquid equilibria and liquid-liquid equilibria relationships at each studied temperature.The complete phase diagrams at 288.2 K,298.2 K and 308.2 K consist of six phase regions:unsaturated liquid region(L),two saturated solutions with one solid phase of RbCl(L_S),one saturated liquid phase with two solid phases of PEG6000 and RbCl(2S+L),an aqueous two-phase region(2L),and a region with two liquids and one solid phase of RbCl(2L_S).With the increase in temperature,the layering ability of the aqueous two-phase system increases,and both regions(2L)and(2L_S)increase.The binodal curves were fitted using the nonlinear equations proposed by Mistry,Hu,and Jayapal.Additionally,the tie-line data were correlated with the Othmer-Tobias,Bancroft,Hand,and Bachman equations.The liquid-liquid equilibria at 288.2 K,298.2 K and 308.2 K were calculated using the NRTL model.The findings confirm that the experimental and calculated values are in close agreement,demonstrating the model’s effectiveness in representing the system’s behavior.
文摘It is shown that time asymmetry is essential for deriving thermodynamic law and arises from the turnover of energy while reducing its information content and driving entropy increase. A dynamically interpreted principle of least action enables time asymmetry and time flow as a generation of action and redefines useful energy as an information system which implements a form of acting information. This is demonstrated using a basic formula, originally applied for time symmetry/energy conservation considerations, relating time asymmetry (which is conventionally denied but here expressly allowed), to energy behaviour. The results derived then explained that a dynamic energy is driving time asymmetry. It is doing it by decreasing the information content of useful energy, thus generating action and entropy increase, explaining action-time as an information phenomenon. Thermodynamic laws follow directly. The formalism derived readily explains what energy is, why it is conserved (1st law of thermodynamics), why entropy increases (2nd law) and that maximum entropy production within the restraints of the system controls self-organized processes of non-linear irreversible thermodynamics. The general significance of the principle of least action arises from its role of controlling the action generating oriented time of nature. These results contrast with present understanding of time neutrality and clock-time, which are here considered a source of paradoxes, intellectual contradictions and dead-end roads in models explaining nature and the universe.
基金Funded by the National Key R&D Program of China(No.2021YFB3802300)the Foundation of National Key Laboratory of Shock Wave and Detonation Physics(No.JCKYS2022212004)the National Natural Science Foundation of China(No.52171045),and the Joint Fund(No.8091B022108)。
文摘The effects of pressure on the structural stability,elasticity,electronic properties,and thermodynamic properties of Al,Al_(3)Cu,Al_(2)Cu,Al_(4)Cu_(9),AlCu_(3),and Cu were investigated using first-principles calculations.The experimental results indicate that the calculated equilibrium lattice constant,elastic constant,and elastic modulus agree with both theoretical and experimental data at 0 GPa.The Young's modulus,bulk modulus,and shear modulus increase with increasing pressure.The influence of pressure on mechanical properties is explained from a chemical bond perspective.By employing the quasi-harmonic approximation model of phonon calculation,the temperature and pressure dependence of thermodynamic parameters in the range of 0 to 800 K and 0 to 100 GPa are determined.The findings demonstrate that the thermal capacity and coefficient of thermal expansion increase with increasing temperature and decrease with increasing pressure.This study provides fundamental data and support for experimental investigations and further theoretical research on the properties of aluminum-copper intermetallic compounds.
基金The support of National Natural Science Foundation of China(22208198 and 22478232)is gratefully acknowledged。
文摘The micellization behavior and thermodynamic properties of cetyltrimethylammonium bromide(CTAB)in single lithium chloride(LiCl),potassium chloride(KCl),magnesium chloride(MgCl_(2))and calcium chloride(CaCl_(2))solutions were investigated at 288.15318.15 K.Result showed that the critical micelle concentration(CMC)values of CTAB in all solutions decreased to a minimum value around 298.15 K and then increased with further increasing the temperature.In all cases,the CMC values decreased with increasing salt concentration at each temperature.Additionally,the introduction of any single salt resulted in a reduction of CMC values for CTAB,attributed to the combined effects of counterions and entropy-driven interactions.The observed trend for CMC values was as follows:CMCH_(2)O>CMCKCl>CMCLiCl>CMCCaCl_(2)>CMCMgCl_(2).Furthermore,standard thermodynamic parameters,including standard free energy of micellization(ΔDG_(m)^(0)),standard enthalpy of micellization(ΔDH0m)and standard entropy of micellization(DS0 m),were calculated based on the obtained CMC values.The negative values ofΔDG_(m)^(0)indicated that the formation of CTAB micelles was a spontaneous behavior.The variations inΔDH0m andΔDS_(m)^(0)suggested that micellization was primarily entropy-driven at temperatures between 288.15 and 298.15 K,while it was influenced by both entropy and enthalpy from 298.15 to 318.15 K.Fourier transform infrared spectroscopy(FTIR)and transmission electron microscope(TEM)were employed to further explore the effects of salts on the micellization behavior of CTAB.
基金supported by the National Natural Science Foundation of China(Nos.51602229 and U2040222)the Opening Project of Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education(Tongji University)+1 种基金the Joint Fund Project of Hubei Provincial Natural Science Foundation(No.2023AFD196)the Opening Funding of Henan Key Laboratory of Green Building Materials Manufacturing and Intelligent Equipment(No.2024LGSYS02),China.
文摘Low-heat Portland(LHP)cement is a new type of Portland cement that has been widely used in recent years due to its low heat of hydration,which makes it exceptional in temperature control for mass concrete construction.However,limited studies have investigated the impact of temperature and magnesium oxide(MgO)content on LHP cement-based materials.This study utilizes thermodynamic simulations to study the hydration process,pore structure,and autogenous shrinkage of LHP cement pastes with different water-to-cement ratios(0.3,0.4,and 0.5),curing temperatures(5,15,20,and 30℃),and MgO contents(mass fractions of 2%,4%,and 5%).Higher curing temperature is found to promote the hydration reactions in cement paste.Moreover,the incorporation of 4%MgO moderately decreases both porosity and dimensional shrinkage in pastes.The microstructural evolution of different LHP pastes is examined through a comparative analysis,lending insights into LHP cement-based material applications.
基金support from the National Key R&D Program of China(No.2023YFB3709900)the National Natural Science Foundation of China(Grant No.U22A20171).
文摘Steel–flux reactions involving the high aluminum(0.75–3.85 wt.%Al)low manganese(2.2 wt.%Mn)steel and the 18 wt.%SiO_(2)–18 wt.%Al2O3 mold flux were investigated.The results indicated that the reaction rate increased when the initial aluminum content increased from 0.76 to 3.85 wt.%.Utilizing the two-film theory,a steel–flux reaction kinetic model controlled by mass transfer was established,which considered the influence of the initial composition on the density of liquid steel and flux.The mass transfer of aluminum in the steel phase was the reaction rate-determining step.It was confirmed that the mass transfer coefficient of Al was 1.87×10^(−4).The predicted results of the kinetic model were consistent and reliable with the experimental results.Thermodynamic equilibrium calculation was performed using FactSage 8.2,which was compared with the steel and flux final composition after 30 min.The content of initial aluminum in the liquid steel played a critical role in the SiO_(2)equilibrium content of the mold flux.In addition,the steel–flux reaction between[Al]and(SiO_(2))occurred with the initial SiO_(2)content in the mold flux lower than 3 wt.%.
