Alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of AuCu_3-type sublattice system

Taking AuCu3-type sublattice system as an example, three discoveries have been presented: First, the third barrier hindering the progress in metal materials science is that researchers have got used to recognizing experimental phenomena of alloy phase transitions during extremely slow variation in temperature by equilibrium thinking mode and then taking erroneous knowledge of experimental phenomena as selected information for establishing Gibbs energy function and so-called equilibrium phase diagram. Second, the equilibrium holographic network phase diagrams of AuCu3-type sublattice system may be used to describe systematic correlativity of the composition?temperature-dependent alloy gene arranging structures and complete thermodynamic properties, and to be a standard for studying experimental subequilibrium order-disorder transition. Third, the equilibrium transition of each alloy is a homogeneous single-phase rather than a heterogeneous two-phase, and there exists a single-phase boundary curve without two-phase region of the ordered and disordered phases; the composition and temperature of the top point on the phase-boundary curve are far away from the ones of the critical point of the AuCu3 compound.

Alloy gene Gibbs energy partition function and equilibrium holographic network phase diagrams of Au_3Cu-type sublattice system

Taking Au3Cu-type sublattice system as an example, three discoveries have been presented. First, the fourth barrier to hinder the progress of metal materials science is that today’s researchers do not understand that the Gibbs energy function of an alloy phase should be derived from Gibbs energy partition function constructed of alloy gene sequence and their Gibbs energy sequence. Second, the six rules for establishing alloy gene Gibbs energy partition function have been discovered, and it has been specially proved that the probabilities of structure units occupied at the Gibbs energy levels in the degeneracy factor for calculating configuration entropy should be degenerated as ones of component atoms occupied at the lattice points. Third, the main characteristics unexpected by today’s researchers are as follows. There exists a single-phase boundary curve without two-phase region coexisting by the ordered and disordered phases. The composition and temperature of the top point on the phase-boundary curve are far away from those of the critical point of the Au3Cu compound; At 0 K, the composition of the lowest point on the composition-dependent Gibbs energy curve is notably deviated from that of the Au3Cu compounds. The theoretical limit composition range of long range ordered Au3Cu-type alloys is determined by the first jumping order degree.

Equilibrium Diagram in the Presence of a Chemical Engineering Department

T or logp1/T diagrams showing the influence of temperature and pressure in a gaseous phase were presented in part Ⅰ of the overview. In part Ⅱ, the relationship between ET and Kellogg diagrams or between ET and EPh diagrams is discussed. ET diagrams cover larger field of application than the other two. The practical use of ET or logp1/T diagrams is also investigated, which includes: the calculation of polycomponent equilibria in a gaseous phase, the prediction of corrosion products, the interpretation of catalytic mechanism, the exploration for the possibility of producing aluminum with carbothermic method, etc. The limitation of this kind of diagrams is also discussed.

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

Thermodynamic equilibrium diagram of the chlorine-titanium system

The chemical and electrochemical equilibria of the chlorine-titanium system in the presence of gaseous phase were investigated. Many species, which consisted of chlorine and titanium, were considered. Various thermodynamic equilibria were calculated in the different pressures at different temperatures. The calculated results were shown as log p-1/Tand E-T diagrams. These diagrams may be used as important tools for corrosion study and titanium production. The diagrams are also used to thermodynamically determine the existence areas of various species and so on.

LOCAL EQUILIBRIUM METHOD IN STUDYING PHASE DIAGRAM OF Mn-MnO SYSTEM

A special method based on the local equilibrium principle has been introduced in the research of the phase diagram of Mn-MnO system.With this method,the problems of volatilization of Mn and the corrosion of Mn and MnO to refractory materials were prevented efficiently.The solubility of oxygen in Mn and the composition of the interface between MnO and Mn were determined.Partial phase diagram of Mn-MnO system were constructed according to pres- ent experimental results.

Equilibrium Diagram in the Presence of a Gaseous Phase and Its Application(Overview PartⅡ)

E-T or log p-1/T diagrams showing the influence of temperature and pressure in a gaseous phase were presented in par tⅠof the overview.I n partⅡ,the relationship between E-T and Kellogg diagrams or between E-T and E-pH diagrams is discussed.E-T diagrams cover larger field of application than the other two.The practical use of E-T or log p-1/T diagrams is also investigated,which includes:the calculation of polycomponent equilibria in a gaseous phase,the prediction of cor rosion products,the interpretation of catalytic mechanism,the exploration for the possibility of producing aluminum with carbothermic method,etc.The limitation of this kind of diagrams is also discussed.

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.

Thermodynamic equilibrium diagram of CaCl_2-Ca(OH)_2-H_2O system

The lg c-pH diagram of the CaCl2-Ca（OH）2-H2O system and its two subsystems at 298.15 K are constructed according to the theory of thermodynamic equilibrium. The interaction characteristics between the solubility of CaCl2 and Ca（OH）e can be found out from the diagrams. CaCl26H2O （s）, Ca（OH）2（s） and solution coexist when the pH value of solution is about 10.8. CaC12 with the minimum solubility of 1 682.4 g/L is in equilibrium with solution when the pH value is lower than 9.4, and Ca（OH）2 with the minimum solubility of 2.749 g/L is in equilibrium with solution at the pH value over 12.1, which provides a theoretical basis for the treatment and reuse of calcium chloride mother liquor for collocating lime cream which is the precipitant in the process of synthesizing magnesium hydroxide.

Holographic alloy positioning design system and holographic network phase diagrams of Au-Cu system

Taking Au?Cu system as an example, three discoveries and two methods were presented. First, a new way for boosting sustainable progress of systematic metal materials science (SMMS) and alloy gene engineering (AGE) is to establish holographic alloy positioning design (HAPD) system, of which the base consists of measurement and calculation center, SMMS center, AGE center, HAPD information center and HAPD cybernation center; Second, the resonance activating-sychro alternating mechanism of atom movement may be divided into the located and oriented diffuse modes; Third, the equilibrium and subequilibrium holographic network phase diagrams are blueprints and operable platform for researchers to discover, design, manufacture and deploy advanced alloys, which are obtained respectively by the equilibrium lever numerical method and cross point numerical method of isothermal Gibbs energy curves. As clicking each network point, the holographic information of three structure levels for the designed alloy may be readily obtained: the phase constitution and fraction, phase arranging structure and properties of organization; the composition, alloy gene arranging structure and properties of each phase and the electronic structures and properties of alloy genes. It will create a new era for network designing advanced alloys.

Phase equilibrium of CaSO_4Ca(OH)_2-H_2O system

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.

黄芩提取物磷脂复合物自微乳给药系统的制备与体外释放度评价

目的:基于磷脂复合物(PC)研究黄芩提取物(BA)自微乳给药系统(SMEDDS)的处方设计及制备工艺,并进行体外质量评价。方法:以BA-PC为中间体,通过溶解度实验、绘制伪三元相图和星点设计-效应面法确定BA-PC-SMEDDS的最佳处方;优化制备工艺并对其理化性质、稳定性、体外释放度进行评价。结果:BA-PC-SMEDDS最优处方为油酸乙酯为油相,吐温-80为乳化剂,二乙二醇单乙醚为助乳化剂;油相质量分数14.39%,Km值2.71,为简化处方,将处方修定为油相质量分数14.5%,混合乳化剂Km2.7;平均粒径为(16.83±0.04)nm,多分散系数(PDI)为(0.127±0.002),Zeta电位为(-12.02±0.03)mV,载药量为(16.75±0.09)mg/g;BA-PC-SMEDDS在pH为1.2、5.0、7.4的缓冲盐溶液中具有良好的体外释放效果。结论:BA-PC-SMEDDS粒径小,载药量高,外观良好,性质稳定,提高了难溶性成分黄芩苷的溶解度及体外释放度,具有增加口服生物利用度的潜力。

THERMODYNAMIC EQUILIBRIUM OF Sb-Cl-H_2O SYSTEM

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A study on the mixing proportion in groundwater samples by using Piper diagram and Phreeqc model

Piper (1944) diagram has been the basis for several important interpretations of the hydrogeochemical data. As seen in this diagram, most natural waters contain relatively few dissolved constituents, with cations (metals or bases) and anions (acid radicles) in chemical equilibrium with one another. Apart from the facies representation, the composition of the mixed sample can be identified in terms of the composition of the parental solution. To bring out this advantage of the Piper diagram, a study was conducted in the Kalpakkam region of Tamilnadu, South India. By taking the geology and water table into consideration, two sample locations were selected as parent solution and third one as the mixture sample. All three samples were analyzed for calcium (Ca), magnesium (Mg), sodium (Na), potassium (K), chloride (Cl), sulphate (SO4) and phosphate (PO4) by Ion Chromatograph (Metrohm IC 861). HCO3 was determined by volumetric titration. The Piper diagram shows that parent solutions clustered towards Na-Mg-Ca-HCO3-Cl and Na-HCO3 facies, and the mixing sample belongs to Na-Mg-HCO3 facies. Phreeqc interac-tive (Ver 2.8) along with the original composition of the mixture sample was used to correlate the mixing proportion identified by the Piper diagram.

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.

Vertical section phase diagrams of La−Fe−B ternary system

The vertical sections of the La−Fe−B system were investigated using electron probe microanalysis and differential thermal analysis.Based on the microstructures and phase compositions of the as-cast and equilibrium alloys,together with their heat flow−temperature curves,phase diagrams for three vertical sections were drawn:La_(x)Fe_(82)B_(y)(x+y=18),La_(x)Fe_(70)B_(y)(x+y=30)and La_(x)Fe_(53)B_(y)(x+y=47),where x and y represent mass fraction of La and B,respectively,%.Additionally,according to the phase diagrams,the compound La2Fe14B was identified as a stable phase at high temperatures.It was found to be stable between 926.2 and 792.6℃;at low temperatures,however,it decomposed into α-La,α-Fe and LaFe_(4)B_(4),according to the reaction La_(2)Fe_(14)B→α-Fe+α-La+LaFe_(4)B_(4).

Thermodynamic Properties of Li-LiH (LiD, LiT) Systems. The Phase Diagram

The paper presents a comprehensive critical review and detailed analysis of the literature, published in the field of the phase diagram solution Li-LiH (LiD, LiT). Special attention is paid to the completeness of the source information on the paper’s topic resulting in an extended reference list. Particularly, paper reviews rarely used sources including little-known publications from research centers, proceedings of the international scientific meetings and dissertations. These publications were more thoroughly analyzed in order to make the information available to the scientific society.

Equilibrium of hydroxyl complex ions in Pb^(2+)-H_2O system

The thermodynamics equilibrium principle was used to construct the diagrams for the concentration of complex ions(pc) vs pH,the distribution ratio of lead hydroxyl complex ions(αn) vs pH,and the conditional solubility product of Pb(OH)2 vs pH in the Pb2+-H2O system. The relationship between the equilibrium concentration of each kind of lead hydroxyl complex ions in equilibrium with Pb(OH)2(s) and pH value was shown in the system. The minimum solubility of lead is at the pH value of 10.096-10.997. The distribution ratio of each kind of the lead hydroxyl complex ions is determined as a function of the pH value and the total lead concentration([Pb]T). The diagram for the conditional solubility product,pKSP vs pH,shows that each kind of lead hydroxyl complex ions existing in the system is dependent upon an optimized pH value at the established concentration of [Pb]T,and that pKSP reaches the minimum at the pH value of 10.3-11.2. The results can provide a theoretical basis for removing lead ions from wastewater by the neutralization and hydrolyzation technology.