Calculation of hydrogen solubility in molten alloys

A thermodynamic model was developed to calculate the hydrogen solubility in molten alloys based on the hydrogen solubility in constitutional pure liquid metals and their interaction parameters. The calculated results have a good agreement with the documented experimental results. The closer the molten alloy to an ideal liquid is, the more accurate the calculated results are. The compound forming ability and molar mixing heat of the constitutional elements take important roles in influencing the hydrogen solubility in molten alloys.

Improved Nonlinear Equation Method for Numerical Prediction of Jominy End-Quench Curves

Without considering the effects of alloying interaction on the Jominy end-quench curves, the prediction resuits obtained by YU Bai-hai＇s nonlinear equation method for multi-alloying steels were different from those experimental ones reported in literature. Some alloying elements have marked influence on Jominy end-quench curves of steels. An improved mathematical model for simulating the Jominy end-quench curves is proposed by introducing a parameter named alloying interactions equivalent （Le）. With the improved model, the Jominy end-quench curves of steels so obtained agree very well with the experimental ones.

Interaction of nonionic surfactant AEO_9 with ionic surfactants

The interaction in two mixtures of a nonionic surfactant AEO9 (C12H25O(CH2CH2O)9H) and different ionic surfactants was investigated. The two mixtures were AEO9/sodium dodecyl sulfate (SDS) and AEO9/cetyltrimethylammonium bromide (CTAB) at molar fraction of AEO9, A EO9 α =0.5. The surface properties of the surfactants, critical micelle concentration (CMC), effectiveness of surface tension reduction (γCMC), maximum surface excess concentration (Γmax) and minimum area per molecule at the air/solution interface (Amin) were determined for both individual surfactants and their mixtures. The significant deviations from ideal behavior (attractive interactions) of the nonionic/ionic surfactant mixtures were determined. Mixtures of both AEO9/SDS and AEO9/CTAB exhibited synergism in surface tension reduction efficiency and mixed micelle formation, but neither exhibited synergism in surface tension reduction effectiveness.

AN ASSESSMENT OF INTERACTION PARAMETERS IN BINARY METALLIC SYSTEMS

An approach of describing the thermodynamics of binary alloys is developed which is based on an exact expression of infinite MacLaurin series of molar excess Gibbs free energy. This new approach is successfully used to represent the thermodynamics of binary alloys at higher concentrations. The present results reveal that it is an improper way to evaluate first and second-order interaction parameters simultaneously from the experimental data in the range of higher concentrations due to an inadequate accuracy Of high temperature experiments.

Prediction of Critical Endpoints Based on the PR Equation of State

In the design of chemical processes,such as catalytic cracking of bitumen and heavy oil,the knowledge of phase behavior at the critical endpoint is essential.Based on the PR equation of state,the algorithm developed by Heidemann and Khalil for calculating critical properties was used to compute critical points.An algorithm for determining the equilibrium phase of the critical point using the tangent plane criterion was developed,and was used to calculate the critical endpoints of different mixtures,including non-polar,polar and associating systems.The critical endpoint,representing the type of the phase behavior,was employed to fit the interaction parameter of mixtures in critical state at high pressure.Lines of critical endpoints for ternary mixtures were also determined with the algorithm.

Implementing a multispecies size-spectrum model in a datapoor ecosystem

Multispecies ecological models have been used for predicting the effects of fishing activity and evaluating the performance of management strategies. Size-spectrum models are one type of physiologically-structured ecological model that provide a feasible approach to describing fish communities in terms of individual dietary variation and ontogenetic niche shift. Despite the potential of ecological models in improving our understanding of ecosystems, their application is usually limited for data-poor fisheries. As a first step in implementing ecosystem-based fisheries management（EBFM）, this study built a size-spectrum model for the fish community in the Haizhou Bay, China. We describe data collection procedures and model parameterization to facilitate the implementation of such size-spectrum models for future studies of data-poor ecosystems. The effects of fishing on the ecosystem were exemplified with a range of fishing effort and were monitored with a set of ecological indicators. Total community biomass, biodiversity index, W-statistic, LFI（Large fish index）, Mean W（mean body weight） and Slope（slope of community size spectra） showed a strong non-linear pattern in response to fishing pressure, and largest fishing effort did not generate the most drastic responses in certain scenarios. We emphasize the value and feasibility of developing size-spectrum models to capture ecological dynamics and suggest limitations as well as potential for model improvement. This study aims to promote a wide use of this type of model in support of EBFM.

MONOMERIC INTERACTION BETWEEN ETHYLENE-TEREPHTHALATE AND CAPROLACTONE

The miscibility of poly(ethylene terephthalate (ET)- caprolactone (CL) (TCL)/poly(ethylene terephthalate) (PET) blends were examined by Differential Scanning Calorimeter (DSC). In these blends, a miscibility limit specified by ET content in the TCL was found to be about 70 (wt%). In the blends of TCL/TCL with different ET contents, a miscibility window defined by ET content was also found to range from 82 to 58 (wt%). Based on the experimental miscibility limits and the mean field binary interaction model, the interaction parameter between monomeric units of ET and CL was obtained.

Synthesis and Characterization of Rare Earth Complexes with Phthalanilic Acids and Amino Acids

The complexes with the general formula REP3A· H2O [P = 2- (COO ) C6H4CONHC6H4X, X=2-CI, 4-Br; A=Gly, Ala, Leu; RE=Pr3+, Nd3+] were synthesized and characlerized by elemental analysis, IR and reflectance electronic spectra and TG methods. The results show that rare earth ion in each complex is coordinated by three oxygen atoms. One is from the amido and the other two from the hydroxyl in the carboxylate and the amino acid respectively, and each complex contains one coordinate water molecule. Condon parameters Fk, Lande parameters(4f), Nephelanxetic ratio(β), percentage convalency parameter(δ) and bonding parameter(b ) of the chelates were calculated from the reflectance electronic spectra, indicating certain covalent character in the metalligand bond. The apparent decompose activation energies were evaluated and the decompose mechanism were discussed.

ENTROPIC CONTRIBUTION TO THE INTERACTION PARAMETER x IN THE POLYMER/OLIGOMER SYSTEM:A LATTICE CLUSTER THEORY CONSIDERATION

Entropic contribution to the interaction parameter (?) in the model incompressible polymer/oligomer system iscalculated by the lattice cluster theory(LCT).It is found that in the oligomer solvent,there exists a wide concentration rangethat the non-combinatorial“entropic interaction”term (?)φ_1φ_2 perceptibly counteracts the mean field combinary entropy△S_(MF).With the increase of the solvent size,both (?) and the ratio (?)φ_1φ_2/△S_(MF) first reach their maximum and finallybecome trivially to zero.It is worth noting that no any demixing was found in the current calculation.This makes thecontroversial idea“entropically driven demixing”even elusive.However,we propose that further work on compressiblepolymer solution with structured monomer will witness the demixing owning to an increased configurational correlation.

Influence of Elemental Iron on Hydrogen Content in Superheated Aluminum-iron Melts

The hydrogen content in liquid binary aluminum alloys with 1,3,5 and 8 wt% iron has been determined in the temperature range from 973K to 1103K.The hydrogen content in molten Al-Fe alloys increases remarkably when the temperature of the melt rises to about 1053K.This work indicates that the alloying element iron plays an important role in hydrogen content in superheated Al-Fe alloy melts below about 1053K.The results make it clear that the hydrogen content in the melt aluminum reduces with the increasing element levels.A conclusion is drawn that the degree of gassing in molten Al-Fe alloys is bound up with the properties of oxide film of aluminum alloy melts.The element iron has no effect on the compact structure of oxide film in aluminum melts.The effects of alloying element are theoretically analyzed in terms of Wagner interaction parameter.According to the values of the first order interaction parameter,it is concluded that the interaction between iron atom and aluminum is much stronger than that between hydrogen atom and aluminum,and the addition of the alloying element decreases the affinity of liquid aluminum for hydrogen.

Comparison of the Molecular Interaction Volume Model with the Unified Interaction Parameter Formalism in the Fe-Cr-Ni Liquid Alloys at 1873 K

The molecular interaction volume model （MIVM） for a general ternary system was deduced in detail for further clarifying and understanding its general multicomponent expression. Both MIVM and the unified interaction parameter formalism （UIPF） can be used to predict the activities of solutes and solvents in the Fe-Cr-Ni liquid alloys. But the former employs only the infinite dilute activity coefficients, and the later is not applicable without the dilute binary and ternary interaction parameters. MIVM has a certain physical meaning from the viewpoint of statistical thermodynamics, so it is an alternative for the estimation of activity coefficients of the solutes and solvents in a dilute or finite concentration metal solution where the interaction parameters are absent or their accuracies are questionable.

SOLUTION BEHAVIOUR OF VARIOUS ALLOYING ELEMENTS IN Ni_3Si

The solid solubilities of 15 common alloying elements added to the Ll_2-type intermetallic compound Ni_3Si at 900°C have been estimated,and their substitution modes have been de- duced from the direction of solubility lobe of the compound.It is shown that the alloying behaviours in Ni_3Si are determined by both size and electronic factors,i.e.,the substitution mode is governed by electronic configuration and solubility by the both.An interaction parameter is presented to describe quantitatively the influence of electronic configuration on substitution mode and the solubility limit can be successfully explained together with atom radius.

Solubility of Ba in Liquid Iron and Interaction Effect of the Third Elements

Experiments were carried out at 1873 K in a double-temperature zone furnace using vapor pressure method. The equilibriumtests of bedum vapor with liquid iron were conducted in CaO crucibles sealed in a Mo chamber. As a result, the experiments obtainedthe relation between the dissolved content of Ba in liquid iron and the vapor pressure of Ba and the standard Gibbs energies for the re-actions Ba(g)=[Ba] and Ba(l)=[Ba].

Hydromagnetic oscillatory Couette flow in rotating system with induced magnetic field

This paper presents a study of hydromagnetic Couette flow of an incompress- ible and electrically conducting fluid between two parallel rotating plates, one of which is oscillating in its own plane. A uniform transverse magnetic field is used, and the induced magnetic field is taken into account. The exact solution to the governing equations is obtained in a closed form. The solution to the problem in the case of vanishing and small finite magnetic Prandtl numbers is also derived from the general solution. The asymp- totic behavior of the solution for large values of the frequency parameter is analyzed to gain some physical insights into the flow pattern. Expressions for the shear stress at both the oscillatory and stationary plates due to primary and secondary flows and mass flow rate in the primary and secondary flow directions are also obtained. The results of the fluid velocity and the induced magnetic field are presented. The shear stresses on the plates due to the primary and secondary flows and the corresponding mass flow rates are presented in a tabular form.

Influence of element Cu on hydrogen content in superheated aluminum melt

The hydrogen content in molten Al Cu alloy increases remarkably when the temperature of the melt rises to about 780 ℃. The effects of alloying element are theoretically analyzed in terms of Wagner interaction parameter. Furthermore, analyses indicate that the alloy element Cu plays an important role in the hydrogen content in superheated Al Cu alloy melt below about 780 ℃. The conclusion is drawn that the degree of gassing in molten Al Cu alloy is bound up with the properties of oxide film of Al alloy melts. The results make it clear that the hydrogen content in the molten aluminum reduces with increasing element Cu dissolved in aluminum melts at the same temperature. [

COMPUTERIZED PREDICTION OF INTERACTION PARAMETERSAND PHASE DIAGRAMS OF CONTINUOUS SOLID SOLUTION OFBINARY ALLOY SYSTEMS

The artificial neural network method has been applied to the relationship between the atomic parameters and intemction packeters of binary alloy Phases, and the principle of thermodynamics in combination with artificial neural network method has been used for the computerized phase diagrams of continuous solid solution of bigamy alloy systems. The computerized phase diagrams well agree with the real phase diagmms.

Improving prediction of vapor-liquid equilibrium with modified HVOS-PR-UNIFAC model by revision of group interaction parameters

Quantitative description of vapor-liquid equilibrium is very useful for designing separation processes. In this study, we combined the Peng-Robinson equation and the Huron-Vidal-Orbey-Sandler mixing rule into a modified UNIFAC model for the improvement of predicting vapor-liquid equilibria. The predictions of vapor-liquid equilibria for 62 systems including alcohol- alkane, alcohol-benzene, and amine-water systems demonstrate that the revised parameters remarkably improve the prediction accuracy for many systems. Especially for amine-water system, the mean deviation of components decreases from 0.094 to 0.021, and the mean deviation of pressure from 22.45% to 4.41%.

The Research of Spin-Orbital Interaction in Intermetallic Compounds of System Gd-In on Paramagnetic Area

Normal,R0,and anomalous,RS,components of the Hall coefficient are determined from the results of experimental investigations of temperature dependences of the Hall coefficient,magnetic susceptibility,and specific electrical resistance for intermetallic Gd3In,Gd3In5 and GdIn3 compounds.Effective parameters of spin-orbital interactionλSO of intermetallic compounds are calculated from anomalous components RS of the Hall coefficient and specific electrical resistance.The results calculated for the band parameters and effective parameters of spin-orbital interactionλSO for Gd-In system intermetallides coincide by orders of magnitude with the results obtained from the optical spectra of pure REMs(rare-earth metals).

Miscibility Behavior of Polyacrylamides Poly(Ethylene Glycol)Blends:Flory Huggins Interaction Parameter Determined by Thermal Analysis

Blends of polyacrylamide—PAM, poly(N-isopropylacrylamide)—PNIPAAm, poly(N-tert-butylacrylamide)—PTBAA, poly(N,N-dimethylacrylamide)—PDMAA and poly(N,N-diethylacrylamide)—PDEAA with poly(ethylene glycol)— PEG were prepared by casting in methanol and water at concentrations of 20 wt%, 40 wt%, 60 wt%, and 80 wt% in PEG. The miscibility of the components was studied by Differential Scanning Calorimetry—DSC. All blend systems are characterized by a single glass transition temperature (Tg), close to the Tg of the amorphous component. The Hoffman Weeks method was used to determine equilibrium melting temperature (Tm) data. The determination of the melt point depression of the blends allowed the calculation of Flory-Huggins interaction parameter (χ12) of the two polymers in the melt, by using the Nishi Wang equation. The interaction parameters, calculated for all the blends, are slightly negative and close to zero, suggesting a partial miscibility between the components.

Calculation on phase diagrams of polyetherimide/ N,N-dimethylacetamide/H2O-BuOH casting system and their relevance to membrane performances

The ternary phase diagrams of polyetherimide （PEI）/N,N-dimethylacetamide （DMAc） with H2O and BuOH as non-solvent were simulated using solubility parameter and Flory-Huggins theory. The phase diagrams show that 5.5% H2O/BuOH system containing 5% BuOH and 0.5% H2O or 6.5% H2O/BuOH system containing 6.2% BuOH and 0.3% H2O is required to induce liquid- liquid demixing for 20 wt-% PEI/DMAc casting solution. Therefore, BuOH can enhance the phase separation of the PEI casting solution and hereby induce higher porosity of the membrane, and the diffusion of BuOH into the water coagulation bath causes larger pore size easily compared with DMAc. Our predictions that the membrane pure water flux first increases then decreases, and the rejection ratio of bovine serum albumin decreases with the increasing concentration of BuOH were validated by the experiments using the prepared membranes.