Phase equilibrium modeling using internally consistent thermodynamic dataset and associated activity-composition(a-x)models are very helpful for quantifying P-T evolution for eclogite,which is the basis for decipherin...Phase equilibrium modeling using internally consistent thermodynamic dataset and associated activity-composition(a-x)models are very helpful for quantifying P-T evolution for eclogite,which is the basis for deciphering the geodynamic processes in subduction zones.In this study,we apply different versions of datasets(ds55 and ds62)and associated a-x relations to a wellestablished LT-HP eclogite at Huwan in the classic western Dabie orogen to constrain its P-T evolution.The eclogite comprises garnet+omphacite+amphibole+white mica+epidote+quartz+chlorite+rutile/ilmenite/sphene.Garnet porphyroblasts show mono-variation in the end members(spessartine from 17 mol%to 0,pyrope from 2 mol%to 18 mol%,almandine from 47 mol%to 64mol%and grossular from 35 mol%to 18 mol%)from core to rim.Phase diagrams combined with compositional isopleth thermobarometry show that dataset ds62 and associated a-x relations yield P_(max)of~33 kbar at~560℃,conflicting with our petrological observations and previous studies.On the other hand,phase equilibrium modeling using dataset ds62 and a revised symmetric garnet a-x model irrespective of Fe^(3+)(O)gives P_(max)of~27 kbar at~560℃,consistent with the results using dataset ds55 and associated a-x relations.Therefore,we recommend a symmetric model for garnet involving py,alm,gr and spss,without Fe~(3+)components,instead of the asymmetric garnet a-x relations involving py,alm,gr,spss and kho by White et al.(2014),for calculating phase diagrams for LT-(U)HP eclogite when using dataset ds62.In this study,the defined P-T path is characterized by a segment of the prograde evolution showing a first moderate slope,followed by gentle then steep slopes,representing the thermal structure evolution recorded by slab surface during continental subduction.Our work combined with previous studies conclude that in western Dabie,the Huwan HP eclogite belt to the north and the Hong'an HP eclogite belt to the south belong to the same HP slice overlying the Xinxian UHP slice.展开更多
In order to provide the theoretical guidance for applying the neutralization method to treatment of heavy metals wastewater with high concentration of sulfate, and to better understand the mechanism of calcium sulfate...In order to provide the theoretical guidance for applying the neutralization method to treatment of heavy metals wastewater with high concentration of sulfate, and to better understand the mechanism of calcium sulfate scale formation, the equilibrium solubility data of CaSOa-Ca（OH）2-H2O system at 298.15 K were theoretically calculated via the Pitzer semi-empirical ion-interaction theory, and determined experimentally by the optical method combining with X-ray diffractometry, and the calculated and determined phase diagrams of CaSOa-Ca（OH）2-H2O system were plotted and compared. Physical definition of each area was studied, and the physical law of characteristic point and line was explained in detail. Adjusting the pH value of neutralization-hydrolysis solution depended on the SO4z- concentration in the system. And interaction characteristics between the solubilities of CaSO4（s）and Ca（OH）2（s）were found out.展开更多
The solubilities and the refractive indices of the saturated solution in the system C 6H 12 O 6 NH 4Cl C 2H 5OH-H 2O ( C 2H 5OH / H 2O=0.90, by wt ) at 35℃ have been determined. The isotherms and r...The solubilities and the refractive indices of the saturated solution in the system C 6H 12 O 6 NH 4Cl C 2H 5OH-H 2O ( C 2H 5OH / H 2O=0.90, by wt ) at 35℃ have been determined. The isotherms and refractive indices of the system at 35℃ consist of 2 branches, corresponding to C 6H 12 O 6( H 2O and NH 4Cl. The composition of eutectic solution is C 6H 12 O 6: 4.40 %, NH 4Cl: 13.86 %, C 2H 5OH: 38.88 %.展开更多
Vapor-liquid phase equilibrium data including composition,densities,molar volume and equilibrium constant of isobutanol in supercritical carbon dioxide from 313.2K to 353.2K were measured in a variable-volume visual c...Vapor-liquid phase equilibrium data including composition,densities,molar volume and equilibrium constant of isobutanol in supercritical carbon dioxide from 313.2K to 353.2K were measured in a variable-volume visual cell.The properties of critical point were obtained by extrapolation.The results showed that critical temperature,critical pressure and critical compressibility factor of CO2-isobutanol system decreased with the increase of critical CO2 content.The phase equilibrium model was established by Peng-Robinson equation of state and van der Waals-2 mixing regulation,and model parameters were determined by optimization calculation of nonlinear least square method.The correlation between calculated values and the experimental data showed good agreement.展开更多
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 relat...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.展开更多
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...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展开更多
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 equatio...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.展开更多
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 w...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.展开更多
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 o...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.展开更多
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 re...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展开更多
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)...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 ℃.展开更多
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...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.展开更多
In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene p...In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by acetonitrile.The accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium data.The results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing system.COSMO-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS method.The predicted phase equilibrium data were checked for consistency.The NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium data.Industrial device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction process.The simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its database.The average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and reliable.The best phase equilibrium data and thermodynamic model parameters for butadiene extraction are provided.This improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.展开更多
The phase equilibrium and mechanical behaviors of natural gas hydrate-bearing sediment are essential for gas recovery from hydrate reservoirs.In heating closed systems,the temperature-pressure path of hydrate-bearing ...The phase equilibrium and mechanical behaviors of natural gas hydrate-bearing sediment are essential for gas recovery from hydrate reservoirs.In heating closed systems,the temperature-pressure path of hydrate-bearing sediment deviates from that of pure bulk hydrate,reflecting the porous media effect in phase equilibrium.A generalized phase equilibrium equation was established for hydrate-bearing sediments,which indicates that both capillary and osmotic pressures cause the phase equilibrium curve to shift leftward on the temperature-pressure plane.In contrast to bulk hydrate,hydrate-bearing sediment always contains a certain amount of unhydrated water,which keeps phase equilibrium with the hydrate within the hydrate stability field.With changes in temperature and pressure,a portion of pore hydrate and unhydrated water may transform into each other,affecting the shear strength of hydrate-bearing sediment.A shear strength model is proposed to consider not only hydrate saturation but also the change in temperature and pressure of hydrate-bearing sediment.The model is validated by experimental data with various hydrate saturation,temperature and pressure conditions.The deformation induced by partial dissociation was studied through depressurization tests under constant effective stress.The reduction in gas pressure within the hydrate stability field indeed caused sediment deformation.The dissociation-induced deformation can be reasonably estimated as the difference in volume between hydrate-bearing and hydrate-free sediments from the compression curves.展开更多
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 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.展开更多
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), ...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展开更多
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 asses...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.展开更多
Kink-bands in rocks have been widely observed in nature and imitated in the laboratory, and the mechanism of their formation has attracted much attention from various researchers for many years. In this paper, a two-p...Kink-bands in rocks have been widely observed in nature and imitated in the laboratory, and the mechanism of their formation has attracted much attention from various researchers for many years. In this paper, a two-phase equilibrium model is presented in which the kink-bands are considered as a high-strain phase and the other regions outside kink-bands as a low-strain phase and the discontinuity of the deformation gradient and stresses is permitted across the interface between those two phases. Based on the present model, we conduct the analysis for the rocks under plane strain compression by finding the minimum value of the compressive loading at which the governing equations have real, physically acceptable solutions. It is revealed that for the rocks with strain-softening behaviour, two-phase equilibrium solutions exist, and the critical value of the compressive loading, the inclination angle of the kink-band, and the stresses and strains inside and outside kink-bands can all be determined by the solution, which are in good agreement with experimental measurements and observations.展开更多
The granulitized eclogites from the Luliangshan terrane of the North Qaidam UHP metamorphic belt occur as lenses within pelitic gneisses and orthogneisses. Combined petrologic data and phase equilibrium modeling indic...The granulitized eclogites from the Luliangshan terrane of the North Qaidam UHP metamorphic belt occur as lenses within pelitic gneisses and orthogneisses. Combined petrologic data and phase equilibrium modeling indicate a multi-stage metamorphic history of the granulitized eclogites:(1) an earlier eclogite facies metamorphism(P>18.5 kbar, T> 830℃) is deduced from omphacite relics in the matrix and rare omphacite inclusions within garnet. The possible assemblage is garnet+omphacite+rutile+ quartz;(2) the early stage of high pressure granulite facies assemblages(garnet+clinopyroxene+ plagioclase+rutile+quartz+liquid) developed in the early decompression process has a P-T regime of 17.5 kbar and 852–858 ℃, constrained by plagioclase and clinopyroxene inclusions in garnet. The late stage of high pressure granulite assemblages(garnet+clinopyroxene+amphibole+plagioclase+rutile+quartz+liquid) records an isothermal decompression process with the pressure successively declining from 17.5 to 14.7 kbar and to 11.3 kbar at 858 ℃;(3) the later medium pressure granulite facies assemblage(garnet+ orthopyroxene+clinopyroxene+amphibole+plagioclase+ilmenite+liquid+quartz) indicates a drop in pressure and rise in temperature at P-T conditions of 7.6–7.7 kbar and 878–883 ℃;(4) retrogressive amphibolite facies stage, which is represented by amphibole+plagioclase kelyphitic rims around garnet, formed under conditions of <5 kbar and <650 ℃. The preservation of medium pressure granulite facies assemblage and the garnet composition feature constrain a following isobaric cooling path during late exhumation. This process suggests a clockwise P-T path and indicates that the granulitized eclogites record a high grade "Barrovian" metamorphic overprint at the middle-lower crust during exhumation. The present data show that the Luliangshan terrane is a "hot" HP-UHP terrane.展开更多
The phase equilibrium data of CO2 hydrocarbon binary mixtures are important for the design and operation of CO 2 ood- ing, coal liquefaction, and supercritical extraction processes. Numerous pieces of binary phase equ...The phase equilibrium data of CO2 hydrocarbon binary mixtures are important for the design and operation of CO 2 ood- ing, coal liquefaction, and supercritical extraction processes. Numerous pieces of binary phase equilibrium data have been obtained. Thus, models for the accurate calculation of binary and multicomponent mixtures must be developed on the basis of existing data. In this work, 3578 vapor liquid phase equilibrium data points for 10 CO 2 hydrocarbon binary mixtures, including CO2 butane, CO 2 pentane, CO 2 isopentane, C O 2 hexane, CO 2 benzene, CO 2 heptane, CO 2 octane, C O 2 non- ane, CO 2 decane, and C O 2 undecane, were collected. The PR and PR-BM equations of state (EOS) in combination with relevant mixing rules were used to calculate the phase equilibrium data of the CO 2 hydrocarbon binary mixtures. The binary interaction parameter k ij in the PR EOS was temperature independent, whereas parameters in the PR-BM EOS were functions of temperature. Thus, the phase equilibrium data and other thermodynamic properties of the binary and multicomponent mixtures at di erent temperatures and pressures can be calculated by using the parameters obtained in this work. The PR-BM EOS performed better than the PR EOS, and the average absolute deviations over the temperature range of 255.98 408.15 K calculated by the PR EOS and PR-BM EOS were less than 5.74% and 3.36%, respectively. The results calculated by the two EOS were compared with those calculated by other models, such as PPR78, PR + LCVM + UNIFAC, KIE + PR EOS + HV, and PSRK. The phase equilibrium data of CO 2 butane decane, CO 2 hexane decane, and C O 2 octane decane ternary mixtures were calculated by the two EOS. The average overall deviations for the CO 2 mole fractions calculated by the two EOS were less than 7.66%.展开更多
基金financially supported by the National Natural Science Foundation of China(No.41930215)the Fundamental Research Funds for the Central Universities,China University of Geosciences(Wuhan)。
文摘Phase equilibrium modeling using internally consistent thermodynamic dataset and associated activity-composition(a-x)models are very helpful for quantifying P-T evolution for eclogite,which is the basis for deciphering the geodynamic processes in subduction zones.In this study,we apply different versions of datasets(ds55 and ds62)and associated a-x relations to a wellestablished LT-HP eclogite at Huwan in the classic western Dabie orogen to constrain its P-T evolution.The eclogite comprises garnet+omphacite+amphibole+white mica+epidote+quartz+chlorite+rutile/ilmenite/sphene.Garnet porphyroblasts show mono-variation in the end members(spessartine from 17 mol%to 0,pyrope from 2 mol%to 18 mol%,almandine from 47 mol%to 64mol%and grossular from 35 mol%to 18 mol%)from core to rim.Phase diagrams combined with compositional isopleth thermobarometry show that dataset ds62 and associated a-x relations yield P_(max)of~33 kbar at~560℃,conflicting with our petrological observations and previous studies.On the other hand,phase equilibrium modeling using dataset ds62 and a revised symmetric garnet a-x model irrespective of Fe^(3+)(O)gives P_(max)of~27 kbar at~560℃,consistent with the results using dataset ds55 and associated a-x relations.Therefore,we recommend a symmetric model for garnet involving py,alm,gr and spss,without Fe~(3+)components,instead of the asymmetric garnet a-x relations involving py,alm,gr,spss and kho by White et al.(2014),for calculating phase diagrams for LT-(U)HP eclogite when using dataset ds62.In this study,the defined P-T path is characterized by a segment of the prograde evolution showing a first moderate slope,followed by gentle then steep slopes,representing the thermal structure evolution recorded by slab surface during continental subduction.Our work combined with previous studies conclude that in western Dabie,the Huwan HP eclogite belt to the north and the Hong'an HP eclogite belt to the south belong to the same HP slice overlying the Xinxian UHP slice.
基金Project (50925417) supported by the Funds for Distinguished Young Scientists of ChinaProject (50830301) supported by the National Natural Science Foundation of ChinaProject (2009ZX07212-001-01) supported by Major Science and Technology Program for Water Pollution Control and Treatment
文摘In order to provide the theoretical guidance for applying the neutralization method to treatment of heavy metals wastewater with high concentration of sulfate, and to better understand the mechanism of calcium sulfate scale formation, the equilibrium solubility data of CaSOa-Ca（OH）2-H2O system at 298.15 K were theoretically calculated via the Pitzer semi-empirical ion-interaction theory, and determined experimentally by the optical method combining with X-ray diffractometry, and the calculated and determined phase diagrams of CaSOa-Ca（OH）2-H2O system were plotted and compared. Physical definition of each area was studied, and the physical law of characteristic point and line was explained in detail. Adjusting the pH value of neutralization-hydrolysis solution depended on the SO4z- concentration in the system. And interaction characteristics between the solubilities of CaSO4（s）and Ca（OH）2（s）were found out.
文摘The solubilities and the refractive indices of the saturated solution in the system C 6H 12 O 6 NH 4Cl C 2H 5OH-H 2O ( C 2H 5OH / H 2O=0.90, by wt ) at 35℃ have been determined. The isotherms and refractive indices of the system at 35℃ consist of 2 branches, corresponding to C 6H 12 O 6( H 2O and NH 4Cl. The composition of eutectic solution is C 6H 12 O 6: 4.40 %, NH 4Cl: 13.86 %, C 2H 5OH: 38.88 %.
文摘Vapor-liquid phase equilibrium data including composition,densities,molar volume and equilibrium constant of isobutanol in supercritical carbon dioxide from 313.2K to 353.2K were measured in a variable-volume visual cell.The properties of critical point were obtained by extrapolation.The results showed that critical temperature,critical pressure and critical compressibility factor of CO2-isobutanol system decreased with the increase of critical CO2 content.The phase equilibrium model was established by Peng-Robinson equation of state and van der Waals-2 mixing regulation,and model parameters were determined by optimization calculation of nonlinear least square method.The correlation between calculated values and the experimental data showed good agreement.
基金This work was supported by the National Natural Science Foundation of Chinathe Research Fund for the Doctoral Program of Higher Education(20076004,2000001005).
文摘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.
基金Financial supports from the National Natural Science Foundation of China (21276194 and 21306136)Key Laboratory of Salt Lake Resources and Chemistry at Chinese Academy Sciences (KLSLRC-KF-13-HX-2)Tianjin Key Laboratory of Marine Resources and Chemistry (201206)
文摘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
基金This project is supported by National Natural Science Foundation of China
文摘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.
文摘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.
文摘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.
基金Project supported by China National Nature Science Foundation (No. 41173071)the Research Fund for the Doctoral Program of Higher Education from the Ministry of Education of China (20115122110001)+1 种基金the Sichuan Youth Science and Technology Innovation Research Team Funding Scheme (2013TD0005)Innovation Team of CDUT(KYTD201405)
文摘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
基金the National Natural Science Foundation of China (50471025)Natural Science Foundation of Lia-oning Province (20052028)National Key Technology R &D Program(2006BAE04B09-7)
文摘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 ℃.
文摘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.
基金supported by the National Natural Science Foundation of China(22178190)。
文摘In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by acetonitrile.The accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium data.The results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing system.COSMO-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS method.The predicted phase equilibrium data were checked for consistency.The NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium data.Industrial device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction process.The simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its database.The average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and reliable.The best phase equilibrium data and thermodynamic model parameters for butadiene extraction are provided.This improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.
基金supported by the National Natural Science Foundation of China(Grant Nos.42171135 and 12262009)the“CUG Scholar”Scientific Research Funds at China University of Geosciences(Wuhan)(Project No.2022098).
文摘The phase equilibrium and mechanical behaviors of natural gas hydrate-bearing sediment are essential for gas recovery from hydrate reservoirs.In heating closed systems,the temperature-pressure path of hydrate-bearing sediment deviates from that of pure bulk hydrate,reflecting the porous media effect in phase equilibrium.A generalized phase equilibrium equation was established for hydrate-bearing sediments,which indicates that both capillary and osmotic pressures cause the phase equilibrium curve to shift leftward on the temperature-pressure plane.In contrast to bulk hydrate,hydrate-bearing sediment always contains a certain amount of unhydrated water,which keeps phase equilibrium with the hydrate within the hydrate stability field.With changes in temperature and pressure,a portion of pore hydrate and unhydrated water may transform into each other,affecting the shear strength of hydrate-bearing sediment.A shear strength model is proposed to consider not only hydrate saturation but also the change in temperature and pressure of hydrate-bearing sediment.The model is validated by experimental data with various hydrate saturation,temperature and pressure conditions.The deformation induced by partial dissociation was studied through depressurization tests under constant effective stress.The reduction in gas pressure within the hydrate stability field indeed caused sediment deformation.The dissociation-induced deformation can be reasonably estimated as the difference in volume between hydrate-bearing and hydrate-free sediments from the compression curves.
基金funded by Programa de Apoyo a Proyectos de Investigacion e Innovacion Tecnologica(PAPIIT)grant IN112314。
文摘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.
文摘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
基金This work was financially supported by the National Natural Science Foundation of China(No.50071008).
文摘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.
基金supported by the National Basic Research Program of China (973 Program, No. 2007CB714001)
文摘Kink-bands in rocks have been widely observed in nature and imitated in the laboratory, and the mechanism of their formation has attracted much attention from various researchers for many years. In this paper, a two-phase equilibrium model is presented in which the kink-bands are considered as a high-strain phase and the other regions outside kink-bands as a low-strain phase and the discontinuity of the deformation gradient and stresses is permitted across the interface between those two phases. Based on the present model, we conduct the analysis for the rocks under plane strain compression by finding the minimum value of the compressive loading at which the governing equations have real, physically acceptable solutions. It is revealed that for the rocks with strain-softening behaviour, two-phase equilibrium solutions exist, and the critical value of the compressive loading, the inclination angle of the kink-band, and the stresses and strains inside and outside kink-bands can all be determined by the solution, which are in good agreement with experimental measurements and observations.
基金financially supported by the National Natural Science Foundation of China (Nos. 41630207, 41572180)the China Geological Survey (No. DD20160022)
文摘The granulitized eclogites from the Luliangshan terrane of the North Qaidam UHP metamorphic belt occur as lenses within pelitic gneisses and orthogneisses. Combined petrologic data and phase equilibrium modeling indicate a multi-stage metamorphic history of the granulitized eclogites:(1) an earlier eclogite facies metamorphism(P>18.5 kbar, T> 830℃) is deduced from omphacite relics in the matrix and rare omphacite inclusions within garnet. The possible assemblage is garnet+omphacite+rutile+ quartz;(2) the early stage of high pressure granulite facies assemblages(garnet+clinopyroxene+ plagioclase+rutile+quartz+liquid) developed in the early decompression process has a P-T regime of 17.5 kbar and 852–858 ℃, constrained by plagioclase and clinopyroxene inclusions in garnet. The late stage of high pressure granulite assemblages(garnet+clinopyroxene+amphibole+plagioclase+rutile+quartz+liquid) records an isothermal decompression process with the pressure successively declining from 17.5 to 14.7 kbar and to 11.3 kbar at 858 ℃;(3) the later medium pressure granulite facies assemblage(garnet+ orthopyroxene+clinopyroxene+amphibole+plagioclase+ilmenite+liquid+quartz) indicates a drop in pressure and rise in temperature at P-T conditions of 7.6–7.7 kbar and 878–883 ℃;(4) retrogressive amphibolite facies stage, which is represented by amphibole+plagioclase kelyphitic rims around garnet, formed under conditions of <5 kbar and <650 ℃. The preservation of medium pressure granulite facies assemblage and the garnet composition feature constrain a following isobaric cooling path during late exhumation. This process suggests a clockwise P-T path and indicates that the granulitized eclogites record a high grade "Barrovian" metamorphic overprint at the middle-lower crust during exhumation. The present data show that the Luliangshan terrane is a "hot" HP-UHP terrane.
基金supported by the National Key Research and Development Program of China (2016YFB0600804-3)Shandong Natural Science Foundation (ZR2017BB076)
文摘The phase equilibrium data of CO2 hydrocarbon binary mixtures are important for the design and operation of CO 2 ood- ing, coal liquefaction, and supercritical extraction processes. Numerous pieces of binary phase equilibrium data have been obtained. Thus, models for the accurate calculation of binary and multicomponent mixtures must be developed on the basis of existing data. In this work, 3578 vapor liquid phase equilibrium data points for 10 CO 2 hydrocarbon binary mixtures, including CO2 butane, CO 2 pentane, CO 2 isopentane, C O 2 hexane, CO 2 benzene, CO 2 heptane, CO 2 octane, C O 2 non- ane, CO 2 decane, and C O 2 undecane, were collected. The PR and PR-BM equations of state (EOS) in combination with relevant mixing rules were used to calculate the phase equilibrium data of the CO 2 hydrocarbon binary mixtures. The binary interaction parameter k ij in the PR EOS was temperature independent, whereas parameters in the PR-BM EOS were functions of temperature. Thus, the phase equilibrium data and other thermodynamic properties of the binary and multicomponent mixtures at di erent temperatures and pressures can be calculated by using the parameters obtained in this work. The PR-BM EOS performed better than the PR EOS, and the average absolute deviations over the temperature range of 255.98 408.15 K calculated by the PR EOS and PR-BM EOS were less than 5.74% and 3.36%, respectively. The results calculated by the two EOS were compared with those calculated by other models, such as PPR78, PR + LCVM + UNIFAC, KIE + PR EOS + HV, and PSRK. The phase equilibrium data of CO 2 butane decane, CO 2 hexane decane, and C O 2 octane decane ternary mixtures were calculated by the two EOS. The average overall deviations for the CO 2 mole fractions calculated by the two EOS were less than 7.66%.
