Solubility of iron(Ⅲ) and nickel(Ⅱ) acetylacetonates in supercritical carbon dioxide

As a common precursor for supercritical CO_(2)(scCO_(2))deposition techniques,solubility data of organometallic complexes in scCO_(2)is crucial for the preparation of nanocomposites.Recently,metal acetylacetonates have shown great potential for the preparation of single-atom catalytic materials.In this study,the solubilities of iron(Ⅲ)acetylacetonate(Fe(acac)3)and nickel(Ⅱ)acetylacetonate(Ni(acac)2)were measured at the temperature from 313.15 to 333.15 K and in the pressure range of 9.5–25.2 MPa to accumulate new solubility data.Solubility was measured using a static weight loss method.The semi-empirical models proposed by Chrastil and Sung et al.were used to correlate the solubility data of Fe(acac)3 and Ni(acac)2.The equations obtained can be used to predict the solubility of the same system in the experimental range.

Phase Equilibrium and Phase Diagram of the Ternary System（MgCl2 + MgB2O4 + H2O） at 288 and 298 K

1 Introduction The brines with high concentrations of magnesium and boron resources are widely distributed in the Qaidam Basin of the Qinghai-Tibet plateau,China(Zheng&Tang,1988).Although some works on the ternary system

Discussion on the Non-Equilibrium Phase of the Gliding Arc Plasma Driven by the Transverse Magnetic Field

a gliding arc driven by the transverse magnetic field was ignited between the electrodes with a complicated shape at atmospheric pressure and a non-equilibrium plasma was gencrated. Under our experimental conditions, a phenomenon was clearly observed where the arc power decreased with the increase in arc voltage. As the arc voltage was higher than 3.375 kV, the are power acquired from the power supply decreased, and the arc plasma began to switch to a non-equilibrium phase. The existence of the non-equilibrium arc plasma was very short, about 10 ms in one gliding arc discharge cycle.

Study on Phase Equilibrium Properties for CO_(2)^+ Cosolvent Binary Systems

In this study, the constant volume, visual method is used to measure the critical point of CO2+toluene, CO2+cyclohexane, CO2+n-butyraldehyde, CO2+i-butyraldehyde, CO2+methanol and CO2+alcohol binary systems. The relationship between critical point and the concentration of the entrainer for different substances has been discussed, and the comparison of the phase behavior of single component system and that of binary systems have been carried out.

PHASE EQUILIBRIUM FOR THE TERNARY SYSTEM VINYL CHLORIDE-CHLORINATED POLYETHYLENE-POLY(VINYL CHLORIDE)

Swelling capacity of vinyl chloride (VC) in chlorinated polyethylene (CPE) with 25—40 wt% Cl at temperature 30—57℃ was studied and their relationships were correlated with Langmuir and Freundlich adsorption equations. A ternary phase diagram for VC-CPE-PVC was also established. In-situ polymerization conditions of CPE-g-VC were proposed and CPE content control was analyzed for the manufacturing process of CPE-g-VC graft product based on results of phase equilibrium study.

Phase Equilibrium of Mg-Zn-La System in Mg-Rich Corner from 200 to 350 ℃

Alloys of Mg-Zn-La system in Mg rich corner were prepared, and the phase relationship was investigated at different temperatures such as 200, 300 and 350 ℃ by scanning electron microscopy(SEM), X-ray diffraction(XRD) and electron probe microanalysis with energy dispersive X-ray spectroscopy (EPMA). Two types of phase equilibrium were identified at the different temperatures. One is two-phase equilibrium contained the Mg solid solution and T-phase. The other is three-phase equilibrium which contained the Mg solid solution, MgZn phase and T-phase. T-phase was stable as the temperature changed. The La content in T-phase is constant which is about 8±0.3% (atom fraction); but the Mg content and Zn content of that is changed, and the Zn content in T-phase was from 16.1% to 44%. The solubility of La in MgZn phase was increased from 1.2% to 1.6% as the temperature increasing from 200 to 350 ℃.

Phase equilibrium modelling of the amphibolite facies metamorphism in the Yelapa-Chimo Metamorphic Complex, Mexico

The Yelapa-Chimo Metamorphic Complex forms part of the Jalisco Block in western Mexico and exposes a wide range of Early Cretaceous metamorphic rocks;such as paragneiss,orthogneiss,amphibolites,and migmatites.However,the pressure-temperature(P-T)conditions of metamorphism and partial melting remain poorly studied in the region.To elucidate metamorphic P-T conditions,phase equilibrium modelling was applied to two sillimanite-garnet paragneisses,one amphibole-orthogneiss,and one amphibolite.Sillimanite-garnet paragneisses exhibit a lepidoblastic texture with a biotite+sillimanite+kyanite+garnet+quartz+plagioclase+K-feldspar mineral assemblage.Amphibole-orthogneiss and amphibolite display a nematoblastic texture with an amphibole+(1)plagioclase+quartz+(1)titanite assemblage and an amphibole+(2)plagioclase+(2)titanite+ilmenite retrograde mineral assemblage.Pseudosections calculated for the two sillimanite-garnet paragneiss samples show P-T peak conditions at~6-7.5 kbar and~725-740℃.The results for amphibole-orthogneiss and the amphibolite yield P-T peak conditions at~8.5-10 kbar and~690-710℃.The mode models imply that metasedimentary and metaigneous units can produce up to~20 vol%and~10 vol%of melt,respectively.Modelling within a closed system during isobaric heating suggests that melt compositions of metasedimentary and metaigneous units are likely to have direct implications for the petrogenesis of the Puerto Vallarta Batholith.Our new data indicate that the Yelapa-Chimo Metamorphic Complex evolved through a metamorphic gradient between~23-33℃km^-1and the metamorphic rocks formed at depths between~22 km and~30 km with a burial rate of~2.0 km Ma^-1.Finally,the P-T data for both metasedimentary and metaigneous rocks provide new constraints on an accretionary framework,which is responsible for generating metamorphism and partial melting in the YelapaChimo Metamorphic Complex during the Early Cretaceous.

Phase Equilibrium of Ternary Systems LaX_3-C_(18)H_(16)N_3O_2Cl-H_2O

Solubilities and refractive indices of saturated solutions of the ternary systems LaX 3 C 18 H 16 N 3O 2Cl(4 ( p chlorobenzoyl) aminoantipyrine H 2O(30 ℃; X=NO 3 -, Cl -) were determined. The incongruent compound, LaL 3(NO 3) 3 was discovered in the system LaL 3(NO 3) 3 L H 2O, while LaCl 3 L H 2O(L=4 ( p chlorobenzoyl) aminoantipyrine H 2O) is a simple eutonic system.

Relationship between CO_2 Sensor Voltage Response and Phase Equilibrium of Solid Electrolyte Na,K-β/β″-Al_2O_3

A type of CO2 sensor based on oxygen concentration cell was designed as following: Cell I: Pt | Au, O2, CO2| Na2CO3(Au)|NKBA(Au)|YSZ|O2, CO2|Pt or Cell lI: Pt|Au, O2, CO2|K2CO3(Au)|NKBA(Au)|YSZ|O2, CO2|Pt. (Na,K-β/β'-AI2O3 is named by NKBA). The sensor signal is consistent with the Nernstian slope within the region of phase equilibrium for Na, K-β/β'-AI2O3 material. The relationship between CO2 sensor voltage response and phase equilibrium of solid electrolyte Na, K-β/β-AI2O3 is discussed in this paper.

Thermodynamic Calculation of Si_3N_4-SiC Phase Equilibrium

SisN4 and SiC phase stability via gas phase reactions among SiO, CO/CO2 and N2 has been calculated based on thermochemical equilibrium. The influences of carbon activity (αC), and the partial pressure of SiO (PSiO), CO (PCO) and N2 (PN2) on the Si3N4-SiC stability have been studied and the related phase diagrams have been constructed. Result shows that the lowering αC and PCO/PSiO ratio and the increasing PN2 greatly elevate the Si3N4-SiC equilibrium temperature. Some previously observed experimental results related to Si3N4 and SiC formation at different temperature from the gas phase reactions have been discussed and some guides for sintering and synthesis Of the Si3N4 materials have been proposed

Phase equilibrium studies of titanomagnetite and ilmenite smelting slags

The phase equilibrium information of slag plays an important role in pyrometallurgical processes to obtain optimum fluxing conditions and operating temperatures.The smelting reduction of titanomagnetite and ilmenite ores in an iron blast furnace(BF)can form Ti(C,N)particles,causing the increased viscosities of slag and hot metal.HIsmelt has been developed in recent years for ironmaking and does not need coke and sinter.The formation of Ti(C,N)in the HIsmelt process is avoided because the oxygen partial pressure in the process is higher than that in the BF.The smelting of TiO_(2)-containing ores in the HIsmelt process results in Al_(2)O_(3)-MgO-SiO_(2)-CaO-TiO_(2)slag.Phase equilibrium in this slag system has been investigated using equilibration,quenching,and electron probe microanalysis techniques.The experimental results were presented in two pseudo-binary sections,which represent the process of HIsmelt for the treatment of 100%titanomagnetite ore and mixed titanomagnetite+ilmenite ore(mass ratio of 2:1),respectively.The primary phases observed in the composition range investigated include pseudo-brookite M_(3)O_(5)(MgO·2TiO_(2)-Al_(2)O_(3)·TiO_(2)),spinel(MgO·Al_(2)O_(3)),perovskite CaTiO_(3),and rutile TiO_(2).The results show that the liquidus temperatures decrease in the TiO_(2)and M_(3)O_(5) primary phase fields and increase in the spinel and CaTiO_(3)primary phase fields with the increase in CaO concentration.The calculation of solid-phase fractions from the experimental data has been demonstrated.The effect of basicity on the liquidus temperatures of the slag has been discussed.The smelting of titanomagnetite plus ilmenite ores has significant advantages to obtain low-sulfur hot metal and high-TiO_(2)slag.Experimentally determined liquidus temperatures were compared with the FactSage predictions to evaluate the existing thermodynamic databases.

Influence of residual stress on the phase equilibrium of Ti(C_xN_y) thin films

In order to provide a theoretic basis for the research of Ti(C_xN_y) thinfilms, the thermodynamic database of Ti-C-N ternary system is established and the phase diagramsections are calculated. In addition to the assessed thermodynamic properties of Ti-C-N system, theinfluence of the residual strain energy of Ti(C_xN_y) thin films on the phase equilibria isanalyzed. The classical formula for calculating the elastic strain energy is expressed into aRedlich-Kister form in order to perform the thermodynamic and equilibrium calculations using theThermo-Calc software. Isothermal sections at 900 and 1100 K are calculated with this database andcompared with those calculated without considering the residual stress. As a result, with theaddition of strain energy delta-fcc Ti(C_xN_y) phase area shrinks. It is therefore concluded thatwith the influence of the residual stress in Ti(C_xN_y) thin solid film, the precipitation of puredelta film requires more precise control of composition.

Studies on Solid-Liquid Phase Transfer Equilibrium of Onium Salts(Ⅱ)

The present paper contains the effects of the ammonium ion, counter ion, solvent and anion being transferred on the solid-liquid phase transfer equilibrium constant of quaternary ammonium salts. The most striking difference between solid-liquid and liquid-liquid phase transfer equilibriums is that the length of alkyl chain shows a large effect on the latter but little on the former This means that the chain length affects only the hydrophobicity, rather than the lipophilicity.Keywords Quaternary ammonium salt, Phase transfer catalysis, Equilibrium constant, Hydrophobicity, Lipophilicity

EQUILIBRIUM PHASE DIAGRAMS IN SYSTEM CuO-PbO-Ag

Phase equilibrium in the ternary CuO-PbO-Ag system has been investigated using differential thermal analysis(DTA),thermogravimetry(TG),scanning electron microscopy(SEM) and X-ray diffraction(XRD) techniques.In the ternary CuO-PbO-Ag system,there is a eutectic reaction CuO+PbO+Ag=L at 750℃ and a composition of 12.04 mol.% Ag,16.35 mol.% CuO and 71.61 mol.% PbO.Two miscibility gaps near the two binary tie lines PbO-Ag and CuO-Ag were detected. No binary or ternary compound was detected in the ternary system.SEM and energy dispersive spectroscopy(EDS) confirm the presence of two liquid phases and the eutectic point.

Directional Analysis of the Chaotic Superlattice around the Equilibrium Point in the Phase Space

The recently proposed method of our research group named as directional Lyapunov exponents（DLEs） is presented. Then, DLEs are used to analyze the eigenstructure of the output phase space around the equilibrium points. Finally, the impacts of the superlattice parameter changes on the characteristics of the output chaotic signal are analyzed. The experimental results show that parameter changes of the superlattice will affect the eigenstructure around the equilibrium points in the output phase space, and DLEs are sensitive to these changes.

Stable Phase Equilibrium of the Aqueous Ternary System Li+//Cl-,borate- H2O at 348 K

The Sichuan Basin,with an area of about 20×104 km2,is situated at 102.5°~110°E and 27.67°~32.67°N.The underground brine resources in Sichuan basin are a type of comprehensive liquid mineral resource.Pingluo

Pore pressure built-up in hydrate-bearing sediments during phase transition: A poromechanical approach

Due to the density contrast between the hydrate and methane gas,the pore pressure is accumulated in the sediment during the decomposition process of methane hydrate.This accumulation of pore pressure decreases the magnitude of effective stress,further triggering potential geological disasters such as landslide.This paper establishes a theoretical framework to investigate the evolution of fluid pressure in the hydrate-bearing sediments during the decomposition process.This model consists of two parts:an unsaturated thermo-poromechanical constitutive law as well as a phase equilibrium equation.Compared with the existing studies,the present work incorporates the effect of pore volume change into the pressure built-up model.In addition,the capillary effect is considered,which plays a nontrivial role in fine-grained sediments.Based on this model,the evolution of fluid pressure is investigated in undrained conditions.It is shown that four mechanisms mainly contribute to the pressure built-up:the density contrast between decomposing hydrate and producing fluid,the variation of pore volume,the compaction of hydrate due to variation of capillary pressure,and the thermal deformation of pore constituents induced by temperature change.Among these mechanisms,the density contrast dominates the pore pressure accumulation.Under the combined effect of these contributions,the evolution of fluid pressure exhibits a strong nonlinearity during the decomposition process and can reach up to dozens of mega Pascal.Nevertheless,this high-level pressure built-up results in a significant tensile strain,yielding potential fracturing of the sediment.

A review of GEMC method and its improved algorithms

Gibbs Ensemble Monte Carlo(GEMC)is a molecular simulation method commonly used for simulating phase equilibrium.This method has been proposed since 1987 and applied in many fields,such as geology,planetary science,chemical engineering,material science,etc.GEMC method combines canonical(NVT),isobaricisothermal(NPT),and grand canonical(μVT)Monte Carlo techniques in a single simulation.The GEMC method was developed on the fundamental law of phase equilibrium that chemical potentials of each phase all equal.Two key factors affect the rationality and reliability of GEMC simulations:1.particles can be efficiently moved in/out from certain phase during simulation;2.samplings can represent the whole system well,in other words,samplings hold good ergodicity.In addition,various parallel methods have been developed to improve the simulation efficiency.In this review,an introduction to the theoretical fundamentals,improvements on particle movement and sampling protocols,acceleration techniques and some applications of the GEMC method will be presented.This is the first integrated review introducing the fundamentals,improvements and applications of the GEMC simulation method.

Chaotic Aquila Optimization Algorithm for Solving Phase Equilibrium Problems and Parameter Estimation of Semi-empirical Models

This research study aims to enhance the optimization performance of a newly emerged Aquila Optimization algorithm by incorporating chaotic sequences rather than using uniformly generated Gaussian random numbers.This work employs 25 different chaotic maps under the framework of Aquila Optimizer.It considers the ten best chaotic variants for performance evaluation on multidimensional test functions composed of unimodal and multimodal problems,which have yet to be studied in past literature works.It was found that Ikeda chaotic map enhanced Aquila Optimization algorithm yields the best predictions and becomes the leading method in most of the cases.To test the effectivity of this chaotic variant on real-world optimization problems,it is employed on two constrained engineering design problems,and its effectiveness has been verified.Finally,phase equilibrium and semi-empirical parameter estimation problems have been solved by the proposed method,and respective solutions have been compared with those obtained from state-of-art optimizers.It is observed that CH01 can successfully cope with the restrictive nonlinearities and nonconvexities of parameter estimation and phase equilibrium problems,showing the capabilities of yielding minimum prediction error values of no more than 0.05 compared to the remaining algorithms utilized in the performance benchmarking process.