Thermodynamic modeling and phase diagram prediction of salt lake brine systems.Ⅰ. Aqueous Mg^2+–Ca^2+–Cl^- binary and ternary systems

Salt lake brine is a complex salt-water system under natural environment.Although many models can express the thermodynamic properties and phase equilibrium of electrolyte aqueous solution,the multi-temperature characteristics and predictability are still the goals of model development.In this study,a comprehensive thermodynamic model system is re-established based on the eNRTL model and some improvements:(1) new expression of long-range electrostatic term with symmetrical reference state is proposed to handle the electrolyte solution covering entire concentration range;(2) the temperature dependence of the binary interaction parameters is formulated with a Gibbs Helmholtz expression containing three temperature coefficients,the liquid parameters,which associated with Gibbs energy,enthalpy,and heat capacity contribution;and(3) liquid parameters and solid species data are regressed from properties and solubility data at full temperature range.Together the activity coefficient model,property models and parameters of liquid and solid offer a comprehensive thermodynamic model system for the typical bittern of MgCl2-CaCl2-H2 O binary and ternary systems,and it shows excellent agreement with the literature data for the ternary and binary systems.The successful prediction of complete phase diagram of ternary system shows that the model has the ability to deal with high concentration and high non-idealitv system,and the ability to extrapolate the temperature.

EMMS-based modeling of gas-solid generalized fluidization:Towards a unified phase diagram

Hydrodynamic features of gas-solid generalized fluidization can be well expressed in the form of phase diagrams,which are important for engineering design.Mesoscale structure presents almost universally in generalized fluidization and should be considered in such phase diagrams.However,current phase diagrams were mainly proposed for cocurrent upward flow according to experimental data or empirical correlations with homogeneous assumption.The energy-minimization multiscale(EMMS)model has shown the capability of capturing mesoscale structure in generalized fluidization,so EMMS-based phase diagrams of generalized fluidization were proposed in this article,which describe more reasonable global hydrodynamics over all regimes including the important engineering phenomena of choking and flooding.These characteristics were also found in discrete particle simulation under various conditions.For wider range of application,the typical hydrodynamic parameters of the phase diagrams were correlated to non-dimensional numbers reflecting the effects of material properties and operation conditions.This study thus shows a possible route to develop a unified phase diagram in the future.

Implementation procedure for the generalized moving Preisach model based on a first order reversal curve diagram

First order reversal curves （FORC） of nanocomposite Nd2Fe14B/Fe3B magnetic materials were measured to attain a FORC diagram, which characterizes reversible magnetization, irreversible magnetization, and magnetic interactions in a hysteresis system. Then, generalized mov- ing Preisach model （GMPM） was implemented based on the FORC diagram. Reversible and irreversible magnetizations shown in FORCs and a FORC diagram were used as an input of GMPM. Coupling interaction between reversible and irreversible magnetizations was added when calculating reversible magnetization. Meanwhile, irreversible magnetic moments＇ interaction was approximately represented by mean field interaction. The result shows that the simulated main curves mostly coincide with the experimental curves.

An implementation of cellular automaton model for single-line train working diagram

According to the railway transportation system＇s characteristics, a new cellular automaton model for the single- line railway system is presented in this paper. Based on this model, several simulations were done to imitate the train operation under three working diagrams. From a different angle the results show how the organization of train operation impacts on the railway carrying capacity. By using the non-parallel train working diagram the influence of fast-train on slow-train is found to be the strongest. Many slow-trains have to wait in-between neighbouring stations to let the fast-train（s） pass through first. So the slow-train will advance like a wave propagating from the departure station to the arrival station. This also resembles the situation of a highway jammed traffic flow. Furthermore, the nonuniformity of travel times between the sections also greatly limits the railway carrying capacity. After converting the nonuniform sections into the sections with uniform travel times while the total travel time is kept unchanged, all three carrying capacities are improved greatly as shown by simulation. It also shows that the cellular automaton model is an effective and feasible way to investigate the railway transportation system.

Thermodynamic modeling and phase diagram prediction of salt lake brine systemsⅡ.Aqueous Li^(+)-Na^(+)-K^(+)-SO_(4)^(2-) and its subsystems

It is still a challenging task to accurately and temperature-continuously express the thermodynamic properties and phase equilibrium behaviors of the salt-lake brine with multi-component,multitemperature and high concentration.The essential subsystem of sulfate type brine,aqueous Li^(+)-Na^(+)-K^(+)-SO_(4)^(2-) and its subsystems across a temperature range from 250 K to 643 K are investigated with the improved comprehensive thermodynamic model.Liquid parameters(Δg_(IJ),Δh_(IJ),and ΔC_(p,IJ))associated with the contributions of Gibbs energy,enthalpy,and heat capacity to the binary interaction parameters,i.e.the temperature coefficients of eNRTL parameters formulated with a Gibbs Helmholtz expression,are determined via multi-objective optimization method.The solid constantsΔ_(f)G_(k)°^((298.15))andΔ_(f)H_(k)°^((298.15))of11 solid species occurred in the quaternary system are rebuilt from multi-temperature solubilities.The modeling results show the accurate representation of(1)solution properties and binary phase diagram at temperature ranges from eutectic points to 643 K;(2)isothermal phase diagrams for Li_(2)SO_(4)-Na_(2)SO_(4)-H_(2)O,Li_(2)SO_(4)-K_(2)SO_(4)-H_(2)O and Na_(2)SO_(4)-K_(2)SO_(4)-H_(2)O ternary systems.The predicted results of complete structure and polythermal phase diagram of ternary systems and the isothermal phase diagrams of quaternary system excellently match with the experimental data.

The Collins Model and the Eutectic—Type and the Peritectic—Type Phase Diagrams

From the Gibbs free energy and the equations of two-phase equilibrium curves of the two-dimensionalbinary system which has the Lennard-Jones potential, using the Collins model, the eutectic-type phase diagram and theperitectic-type phase diagram of the binary system are obtained, whose results are quite similar to the behavior of thethree-dimensional (3D) substances.

Calculation of Interaction Parameters from Immiscible Phase Diagram of Alkali Metal or Alkali Earth Metal-Halide System by Means of Subregular Solution Model

In this paper, the interaction parameters in the subregular solution model, λ1 and λ2, are regarded as a linear function of temperature, T. Therefore, the molar excess Gibbs energy of A-B binary system may be reexpressed as follows:Gm^E=xAxB[(λ11+λ12T)+(λ21+λ22T)xB]The calculation of the model parameters, λ11, λ12, λ21and λ22, was carried out numerically from the phase diagrams for 11 alkali metal-alkali halide or alkali earth metal-halide systems. In addition, artificial neural network trained by known data has been used to predict the values of these model parameters. The predicted results are in good agreement with the .calculated ones. The applicability of the subregular solution model to the alkali metal-alkali halide or alkali earth metal-halide systems were tested by comparing the available experimental composition along the boundary of miscibility gap with the calculated ones which were obtained by using genetic algorithm. The good agreement between the calculated and experimental results across the entire liquidus is valid evidence in support of the model.

Modelling and Analysis of the Hubble Diagram of 280 Type SNIa Supernovae and Gamma Ray Bursts Redshifts with Analytical and Empirical Redshift/Magnitude Functions

Based on an analysis of 280 Type SNIa supernovae and gamma-ray bursts redshifts in the range of z = 0.0104 - 8.1 the Hubble diagram is shown to follow a strictly exponential slope predicting an exponentially expanding or static universe. At redshifts > 2 - 3 ΛCDM models show a poor agreement with the observed data. Based on the results presented in this paper, the Hubble diagram test does not necessarily support the idea of expansion according to the big-bang concordance model.

Collins Model and Phase Diagram of 2D Ternary System

The Collins model is introduced into the two-dimensional (2D) alternative ternary system having the Lennard-Jones (L-J) potential. The Gibbs free energy of this ternary system is calculated, and according to thermodynamic theory, a group of equations that determine the solid-liquid diagram of ternary system are derived, someisothermal sectional diagrams of the 2D ternary system are obtained. The results are quite similar to the behavior ofthree-dimensional substances.

Calculation of Al Zn diagram from central atoms model

A slightly modified central atoms model was proposed. The probabilities of various clusters with the central atoms and their nearest neighboring shells can be calculated neglecting the assumption of the parameter of energy in the central atoms model in proportion to the number of other atoms i (referred with the central atom). A parameter P α is proposed in this model, which equals to reciprocal of activity coefficient of α component, therefore, the new model can be understood easily. By this model, the Al Zn phase diagram and its thermodynamic properties were calculated, the results coincide with the experimental data.

Ground-State Phase Diagram of Transverse Spin-2 Ising Model with Longitudinal Crystal-Field

<正> The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal-field is studied within themean-field theory based on Bogoliubov inequality for the Gibbs free energy.The ground-state phase diagram and thetricritical point are obtained in the transverse field Ω/zJ-longitudinal crystal D/zJ field plane.We find that there are thefirst order-order phase transitions in a very small range of D/zJ besides the usual first order-disorder phase transitionsand the second order-disorder phase transitions.

Application and comparison of coaxial correlation diagram and hydrological model for reconstructing flood series under human disturbance

Intense human activities have greatly changed the flood generation conditions in most areas of the world, and have destroyed the consistency in the annual flood peak and volume series. For design flood estimation, coaxial correlation diagram and conceptual hydrological model are two frequently used tools to adjust and reconstruct the flood series under human disturbance. This study took a typical mountain catchment of the Haihe River Basin as an example to investigate the effects of human activities on flood regime and to compare and assess the two adjustment methods. The main purpose is to construct a conceptual hydrological model which can incorporate the effects of human activities. The results show that the coaxial correlation diagram is simple and widely-used, but can only adjust the time series of total flood volumes. Therefore, it is only applicable under certain conditions(e.g. There is a strong link between the flood peaks and volumes and the link is not significantly affected by human activities). The conceptual model is a powerful tool to adjust the time series of both flood peak flows and flood volumes over different durations provided that it is closely related to the catchment hydrological characteristics, specifically accounting for the effects of human activities, and incorporating expert knowledge when estimating or calibrating parameters. It is suggested that the two methods should be used together to cross check each other.

Solving Algebraic Problems with Geometry Diagrams Using Syntax-Semantics Diagram Understanding

Solving Algebraic Problems with Geometry Diagrams(APGDs)poses a significant challenge in artificial intelligence due to the complex and diverse geometric relations among geometric objects.Problems typically involve both textual descriptions and geometry diagrams,requiring a joint understanding of these modalities.Although considerable progress has been made in solving math word problems,research on solving APGDs still cannot discover implicit geometry knowledge for solving APGDs,which limits their ability to effectively solve problems.In this study,a systematic and modular three-phase scheme is proposed to design an algorithm for solving APGDs that involve textual and diagrammatic information.The three-phase scheme begins with the application of the statetransformer paradigm,modeling the problem-solving process and effectively representing the intermediate states and transformations during the process.Next,a generalized APGD-solving approach is introduced to effectively extract geometric knowledge from the problem’s textual descriptions and diagrams.Finally,a specific algorithm is designed focusing on diagram understanding,which utilizes the vectorized syntax-semantics model to extract basic geometric relations from the diagram.A method for generating derived relations,which are essential for solving APGDs,is also introduced.Experiments on real-world datasets,including geometry calculation problems and shaded area problems,demonstrate that the proposed diagram understanding method significantly improves problem-solving accuracy compared to methods relying solely on simple diagram parsing.

A novel model to evaluate spatial structure in thinned conifer-broadleaved mixed natural forests

In order to ensure the effective analysis and reconstruction of forests,it is key to ensure the quantitative description of their spatial structure.In this paper,a distance model for the optimal stand spatial structure based on weighted Voronoi diagrams is proposed.In particular,we provide a novel methodological model for the comprehensive evaluation of the spatial structure of forest stands in natural mixed conifer-broadleaved forests and the formulation of management decision plans.The applicability of the rank evaluation and the optimal solution distance model are compared and assessed for different standard sample plots of natural mixed conifer-broadleaved forests.The effect of crown width on the spatial structure unit of the trees is observed to be higher than that of the diameter at breast height.Moreover,the influence of crown length is greater than that of tree height.There are nine possible spatial structure units determined by the weighted Voronoi diagram for the number of neighboring trees in the central tree,with an average intersection of neighboring crowns reaching 80%.The rank rating of natural forest sample plots is correlated with the optimal solution distance model,and their results are generally consistent for natural forests.However,the rank rating is not able to provide a quantitative assessment.The optimal solution distance model is observed to be more comprehensive than traditional methods for the evaluation of the spatial structure of forest stands.It can effectively reflect the trends in realistic stand spatial structure factors close to or far from the ideal structure point,and accurately assesses the forest spatial structure.The proposed optimal solution distance model improves the integrated evaluation of the spatial structure of forest stands and provides solid theoretical and technical support for sustainable forest management.

Phase Diagram of Transverse Spin-2 Ising Model with Longitudinal Crystal Field

The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal field is studied within themean-field theory.The phase diagrams and magnetization curves are obtained by diagonalizing the Hamiltonian H_i ofthe Ising system numerically,and the first order-order phase transitions,the first order-disorder phase transitions,andthe second-order phase transitions are discussed in details.Reentrant phenomena occur when the value of the transversefield is not zero and the reentrant diagram is given.

二维图纸驱动三维建模的方法

针对船舶设计过程中二维图纸和三维模型之间缺乏有效关联关系的现状,开展二维图纸驱动三维模型的方法研究。开展常用二维原理图绘制软件CAD和SP P&ID的对比分析;针对CAD软件和SP P&ID两种软件输出的不同形式的二维原理图,分别开展二维原理图驱动三维模型的方法研究,分析二维原理图驱动三维建模的流程,研究二维原理图驱动三维建模的机理,解决二维原理图和三维模型之间数据分离的问题,提高船舶设计效率。

基于自抗扰控制的H桥逆变器的混沌研究

为了解决新能源发电系统逆变器出现混沌的问题,提出了一种基于自抗扰控制的H桥逆变器的调节方案。针对处于混沌状态的逆变器的稳态和动态特性差的现象,构建了逆变器的离散模型,并通过建立跟踪微分器、扩张状态观测器以及状态误差反馈控制律进行混沌控制。通过分岔图、折叠图以及仿真分析,结果可知基于自抗扰控制的H桥逆变器比基于比例控制的H桥逆变器的稳定范围扩大了45%,有效地抑制了混沌现象的发生。通过分析可得出:该控制策略对系统的混沌行为能够进行抑制,拓宽了系统稳定工作范围。

基于Roe-Siegmund循环内聚力模型焊趾疲劳裂纹萌生仿真

为建立焊趾疲劳裂纹萌生行为仿真方法,基于Roe-Siegmund循环内聚力模型对ABAQUS进行二次开发,形成用于反映疲劳累积损伤的VUMAT子程序,依据文献方法及试验数据获取Q345焊接区域材料的内聚力参数,通过Voronoi图法和内聚力单元法生成具有疲劳累积损伤特性和晶粒特征的微观模型,并与宏观对接焊缝模型合并,进行多尺度疲劳裂纹萌生仿真模拟,获得裂纹萌生路径、临界循环次数及晶粒力学响应特征.结果表明,此方法能够自发地选择符合实际情况的裂纹萌生位置以及短裂纹扩展路径,完成对焊接区域材料微观断裂过程的模拟,不同仿真组获取的临界循环次数存在于一定的分布范围内,模型中的累积内聚力长度需通过试验数据进行拟合.