Thermodynamic model for equilibrium solubility of gibbsite in concentrated NaOH solutions

The thermodynamic properties of the most important NaOH-NaAI（OH）4-H20 system in Bayer process for alumina production were investigated. A theoretical model for calculating the equilibrium constant of gibbsite dissolved in sodium hydroxide solution was proposed. New Pitzer model parameters and mixing parameters for the system NaOH-NaAI（OH）4-H20 were yielded and tested in the temperature range of 298.15-373.15 K. The results show that the proposed model for calculating the equilibrium constant of gibbsite dissolution is applicable and accurate. The obtained Pitzer model parameters of β（0）（NaAl（OH）4）、β（1）（NaAl（OH）4）和CΦ（NaAl（OH）4）,Al（OH）4 for NaAI（OH）4, the binary mixing parameter of θ（OH-Al（OH）4-） with OH-, and the ternary mixing parameter of ψ（Na＋OH-Al（OH）4-） for AI（OH）4- with OH- and Na＋ are temperature-dependent. The prediction of the equilibrium solubility of gibbsite dissolved in sodium hydroxide solution was feasible in the temperature range of 298.15-373.15 K.

Sensitivity analysis for stochastic user equilibrium with elastic demand assignment model

This paper puts forward a rigorous approach for a sensitivity analysis of stochastic user equilibrium with the elastic demand （SUEED） model. First, proof is given for the existence of derivatives of output variables with respect to the perturbation parameters for the SUEED model. Then by taking advantage of the gradient-based method for sensitivity analysis of a general nonlinear program, detailed formulae are developed for calculating the derivatives of designed variables with respect to perturbation parameters at the equilibrium state of the SUEED model. This method is not only applicable for a sensitivity analysis of the logit-type SUEED problem, but also for the probit-type SUEED problem. The application of the proposed method in a numerical example shows that the proposed method can be used to approximate the equilibrium link flow solutions for both logit-type SUEED and probit-type SUEED problems when small perturbations are introduced in the input parameters.

Agricultural Policy Simulation Based on Computable General Equilibrium Model

[Objective] This study aimed to examine the simulated effect of Computable General Equilibrium （CGE）-based agricultural policy simulation system. [Method] The policy simulation platform based on CGE model was constructed by integrating policy simulation, CGE model and Decision Supporting System （DSS）. The scenario analysis method was used to analyze the agricultural subsides policy simulation through empirical analysis. [Result] Farmers were the main beneficiaries of increasing agricultural production subsidies, which increased farmers＇ income and improved the export of agriculture products. The prototype system could solve the problems in actual policy simulation. [Conclusion] The results lay the foundation for the quantitative study on agricultural subsidy policy in China.

Modeling and simulation of turbofan engine based on equilibrium manifold

Because the normal operation of the engine is located near the equilibrium manifold, the method of equilibrium mani fold nonlinear dynamic modeling is adopted for turbofan engine more than the local train modeling. The method studies the sys tem characteristics near the equilibrium manifold. The modeling method can be realized through dynamic and static twostep, and for the specific parameter modeling steps and algorithm are given. The output of the test data is compared with the model output through numerical simulation, to check the model with an additional set of test data. The simulation results show that the model has reached the requirements of engineering accuracy.

Overhanging rock slope by design:An integrated approach using rock mass strength characterisation,large-scale numerical modelling and limit equilibrium methods

Overhanging rock slopes(steeper than 90°) are typically avoided in rock engineering design, particularly where the scale of the slope exceeds the scale of fracturing present in the rock mass. This paper highlights an integrated approach of designing overhanging rock slopes where the relative dimensions of the slope exceed the scale of fracturing and the rock mass failure needs to be considered rather than kinematic release of individual blocks. The key to the method is a simplified limit equilibrium(LE) tool that was used for the support design and analysis of a multi-faceted overhanging rock slope. The overhanging slopes required complex geometries with constantly changing orientations. The overhanging rock varied in height from 30 m to 66 m. Geomechanical modelling combined with discrete fracture network(DFN)representation of the rock mass was used to validate the rock mass strength assumptions and the failure mechanism assumed in the LE model. The advantage of the simplified LE method is that buttress and support design iterations(along with sensitivity analysis of design parameters) can be completed for various cross-sections along the proposed overhanging rock sections in an efficient manner, compared to the more time-intensive, sophisticated methods that were used for the initial validation. The method described presents the development of this design tool and assumptions made for a specific overhanging rock slope design. Other locations will have different geological conditions that can control the potential behaviour of rock slopes, however, the approach presented can be applied as a general guiding design principle for overhanging rock cut slope.

Three Stage Equilibrium Model for Coal Gasification in Entrained Flow Gasifiers Based on Aspen Plus

A three stage equilibrium model is developed for coal gasification in the Texaco type coal gasifiersbased on Aspen Plus to calculate the composition of product gas, carbon conversion, and gasification teml^erature. The model is divided into three stages including pyrolysis and combustion stage, char gas reaction stage, and gas p.hase reaction stage. Part of the water produced in thepyrolysis and combust!on stag.e is assumed to be involved inthe second stage to react with the unburned carbon. Carbon conversion is then estimated in the second stage by steam participation ratio expressed as a function of temperature. And the gas product compositions are calculated from gas phase reactions in the third stage. The simulation results are consistent with published experimental data.

Multiphase equilibrium modeling of oxygen bottom-blown copper smelting process

A computational thermodynamics model for the oxygen bottom-blown copper smelting process(Shuikoushan,SKS process)was established,based on the SKS smelting characteristics and theory of Gibbs free energy minimization.The calculated results of the model show that,under the given stable production condition,the contents of Cu,Fe and S in matte are71.08%,7.15%and17.51%,and the contents of Fe,SiO2and Cu in slag are42.17%,25.05%and3.16%.The calculated fractional distributions of minor elements among gas,slag and matte phases are As82.69%,11.22%,6.09%,Sb16.57%,70.63%,12.80%,Bi68.93%,11.30%,19.77%,Pb19.70%,24.75%,55.55%and Zn17.94%,64.28%,17.79%,respectively.The calculated results of the multiphase equilibrium model agree well with the actual industrial production data,indicating that the credibility of the model is validated.Therefore,the model could be used to monitor and optimize the industrial operations of SKS process.

A limit equilibrium fracture zone model to investigate seismicity in coal mines

This paper explores possible synergies between techniques used to minimise seismicity in deep South African gold mines and their applicability to control coal bumps. The paper gives a summary of the techniques used in the deep gold mines and a critical appraisal if these are useful in coal mines. The techniques typically include control of mining rate, preconditioning, optimisation of extraction sequences and centralised blasting. Of particular interest to the coal bump problem is an experimental limit equilibrium fracture zone model implemented in a displacement discontinuity code. This was recently developed for the gold mines to enable the interactive analysis of complex tabular mine layout extraction sequences. The model specifically accommodates energy dissipation computations in the developing fracture zone near the edges of these excavations. This allows the released energy to be used as a surrogate measure of ongoing seismic activity and addresses a number of the weaknesses in the traditional usage of this quantity as a criterion for the design of seismically active layouts. This paper investigates the application of the model to a hypothetical coal longwall layout and the specific problem of coal bumps.

Phase Equilibrium Calculations in Mixtures Containing Caprolactam with a UNIFAC Model

An extended liquid-liquid equilibrium(LLE) UNIFAC model is proposed to describe phase equilibria of mixtures containing caprolactam.In this model,caprolactam is introduced as a new group.New group interaction parameters are calibrated from 156 sets of liquid-liquid equilibrium data.The present model gives satisfactory correlation and prediction in liquid-liquid equilibrium,including quaternary systems containing the mixed solvent of an alcohol and an alkane.The model can be applied to predict caprolactam solubility in water and benzene accurately.Freezing point and vapor-liquid equilibrium of binary systems containing caprolactam are also predicted with the extended LLE UNIFAC model.Satisfactory prediction results are obtained.

Vapor-Liquid Equilibrium Prediction of Ammonia-Ionic Liquid Working Pairs of Absorption Cycle Using UNIFAC Model

On the basis of reported experimental vapor-liquid equilibrium （VLE） data of NH3-1-ethyl-3-methylimidazolium acetate （NH3-[Emim]Ac）, NH3-1-butyl-3-methylimidazolium tetrafluoroborate （NH3-[Bmim][BF4]）, NH3-1,3-dimethylimidazolium dimethyl phosphate （NH3-[Mmim]DMP） and NH3-1-ethyl-3-methylimidazolium ethylsulfate （NH3-[Emim]EtOSO3） binary systems, the interaction parameters of 14 new groups have been regressed by means of the UNIFAC model. To validate the reliability of the method, these parameters have been used to calculate the VLE data with the average relative deviation of pressures of less than 9.35%. The infinite dilution activity coefficient （ γ1∞ ） and the absorption potential （ φ1 ） are important evaluation criterions of the affinity between working pair species of the absorption cycle. The UNIFAC model is implemented to predict the values of and φ1 of t6 sets of NH3-ionic liquid （1L） systems. The work found that the φ1 gradually increases following the impact order： φ1（[Cnmim][BF4]）〈φ1（[Cnmim]EtOSO3）〈φ1（[Cnmim]DMP）〈φ1（[Cnmim]Ac） （n= 1, 2, 3, … ） at a given cation of IL species and constant temperature, and φ1（[Mmim]X）〈φ1（[Emim]X）〈φ1（[Pmim]X）〈 φ1（[Bmim]X）（X= Ac, [BF4], DMP or EtOSO3） at a given anion of IL species and constant temperature. Furthermore, the φ1 gradually increases with increasing temperature. Then, it could be concluded that the working pair NH3-[BmimlAc has the best potential research value relatively.

A mixed stochastic user equilibrium model considering influence of advanced traveller information systems in degradable transport network

Advanced traveler information systems （ATIS） can not only improve drivers＇ accessibility to the more accurate route travel time information, but also can improve drivers＇ adaptability to the stochastic network capacity degradations. In this paper, a mixed stochastic user equilibrium model was proposed to describe the interactive route choice behaviors between ATIS equipped and unequipped drivers on a degradable transport network. In the proposed model the information accessibility of equipped drivers was reflected by lower degree of uncertainty in their stochastic equilibrium flow distributions, and their behavioral adaptability was captured by multiple equilibrium behaviors over the stochastic network state set. The mixed equilibrium model was formulated as a fixed point problem defined in the mixed route flows, and its solution was achieved by executing an iterative algorithm. Numerical experiments were provided to verify the properties of the mixed network equilibrium model and the efficiency of the iterative algorithm.

Typical Equilibrium Beach Profile Models and Their Significances from Different Segments of A Headland-Bay Beach

This study introduces three typical models on equilibrium beach profile, and discusses the application limitations of these models. Then this study examines the selections for applying these models on different coastal segments of a headland-bay beach in west Guangdong, South China, and explores the physical significances of those parameters in the models. The results indicate that：（1） Bodge＇s model is more in line with the equilibrium beach profile of the tangential or transitional segment, whereas Lee＇s model is more consistent with the shadow profile;（2） most of the parameters in three models have clear physical significances in accordance with the actual characteristics of this headland-bay beach; and（3） both the selections for the equilibrium beach profile from different segments and significances of most of the parameters in three models are in essence correlated with the morphodynamic states at various coastal locations.

Intensity Allocation Criteria of Carbon Emissions Permits and Regional Economic Development in China——Based on a 30-Province/Autonomous Region Computable General Equilibrium Model

The intensity allocation criteria of carbon emissions permits and its influence on China＇s regional development are analyzed through the 30-province/autonomous region computable general equilibrium （CGE） model. Simulation results show that： industrial intensity criteria without taking regional economic development into account deepen the unbalance of regional economic development; regional intensity criteria without taking industrial properties into account exert little negative impact on regional harmonious development, but relatively high negative influence on high-carbon emission industries. The two-step allocation scheme that the central government allocates emissions permits to provincial governments based on regional economic development and then provincial governments allocate emissions permits to emission resources or entities based on industrial properties is a feasible and operable choice.

An Extension of One-Period Nash Equilibrium Model in Non-Life Insurance Markets

This paper deals with an extension of the one-period model in non-life insurance markets (cf. [1]) by using a transition probability matrix depending on some economic factors. We introduce a multi-period model and in each period the solvency constraints will be updated. Moreover, the model has the inactive state including some uninsured population. Similar results on the existence of premium equilibrium and sensitivity analysis for this model are presented and illustrated by numerical results.

Fiscal Policy Effect Analysis Based on Agents Response Equilibrium (ARE) Model

Agents response equilibrium (ARE) model has been taken advantage of to build a multi-agent system for analyzing fiscal policy effect. Through establishing various types of economic entities and endowing them with abilities to react and make decision, the whole system will evolve to new conditions in response to policy change. Compared with different scenarios, it can be concluded that when raising taxation ratio, sectoral scale will shrink to some extent. But supported by government expenditure, certain sectors could be kept in comparatively larger production scale.

Sensitivity Analysis of Thermal Equilibrium Parameters of MIKE 11 Model:A Case Study of Wuxikou Reservoir in Jiangxi Province of China

Sensitivity analysis of thermal equilibrium parameters in the reservoir module of MIKE 11 model was conducted for the Wuxikou Reservoir in Jiangxi Province of China in order to apply the module to the environmental impact assessment to accurately predict water temperature of reservoirs.Results showed that radiation parameter A and evaporation-first parameter were much more sensitive than other parameters.The values of the radiation parameter A ranged from 0.10 to 0.34.The values of evaporation-first parameter varied from 0 to 10.The sensitivity of solar absorption parameters was less than that of evaporation parameter,of which light attenuation values ranged from 0.5 to 0.7,and this parameter would not impact model results if it was more than 2.Constants in Beer's law ranged from 0.2 to 0.7.Radiation parameter B was not more sensitive than evaporation parameter and its reasonable range was higher than 0.48.The fitting curves showed consistent changing tendency for these parameters within the reasonable ranges.Additionally,all the thermal equilibrium parameters had much more important effects on surface water temperature than deep water temperature.Moreover,if no observed data could be obtained,the local empirical value would be used to input to the MIKE 11 model to simulate the changes in the discharged outflow-water temperature qualitatively.

Modified DIX model for ion-exchange equilibrium of L-phenylalanine on a strong cation-exchange resin

L-phenylalanine, one of the nine essential amino acids for the human body, is extensively used as an ingredient in food, pharmaceutical and nutrition industries. A suitable equilibrium model is required for purification of L-phenylalanine based on ion-exchange chromatography. In this work, the equilibrium uptake of L-phenylalanine on a strong acid-cation exchanger SH11 was investigated experimentally and theoretically. A modified Donnan ion-exchange （DIX） model, which takes the activiW into account, was established to predict the uptake of L-phenylalanine at various solution pH values. The model parameters including selectivity and mean activity coefficient in the resin phase are presented. The modified DIX model is in good agreement with the experimental data. The optimum operating pH value of 2.0, with the highest t-phenylalanine uptake on the resin, is predicted by the model. This basic information combined with the general mass transfer model will lay the foundation for the prediction of dynamic behavior of fixed bed separation process.

Simulation of MEG Packed Distillation Column Using an Equilibrium Stage Model-Case Study on Operating Parameters of Farsa Petrochemical Company： Assaluyeh-lran

Two types of equilibrium and non-equilibrium stage models are generally used to simulate the mass transfer of packed distillation column. Using non-equilibrium model requires the calculation of mass transfer coefficients, thus, usually equilibrium-based methods are preferred to be used for simulations of distillation columns. In this paper, packed column distillation of production of Mono Ethylene Glycol in FARSA SHIMI Company （Assaluyeh-Iran）＇s Ethylene Glycol portion has been simulated through using the equilibrium model and solving the related equations. The simulation has been carried out in the MATLAB environment. The column also has been simulated in the Aspen Hysys and Aspen Plus ver. 2006.5 environments. Then, the output has been compared with software results, designing and operating data of the underlying columns which demonstrate good consistency with the model. Having the model validated, the effect of some operating parameters has been analyzed through the model.

Experimental measurement and thermodynamic modeling of binary and ternary solid–liquid phase equilibrium for the systems formed by L-arabinose,D-xylose and water

Solid–liquid phase equilibrium data for binary(L-arabinose–water) and(D-xylose–water) systems at temperatures from(269.85–298.05) K and ternary(L-arabinose–D-xylose–water) system at temperatures of 273.85 K,278.85 K and 284.45 K were measured at atmospheric pressure.The ternary phase diagrams of the systems were constructed on the base of the measured solubility.Two pure solid phases were formed at given temperatures,including pure L-arabinose and pure D-xylose,which were con firmed and determined by the method of Schreinemakers' wet residue.At the same temperature,the crystallization region of L-arabinose was larger than D-xylose's.The acquired solubility data were then correlated using the NRTL model,Wilson model and Xu model.The calculated solubility with the three models agreed well with the experimental values.

Adsorption of 2-naphthalenesulfonic acid/sulfuric acid/sulfurous acid from aqueous solution by iron-impregnated weakly basic resin：Equilibrium and model

Commercial grade weakly basic resin D301 was impregnated with iron through a simple method using ferric chloride. Experiments for single, bisolute and trinary competitive adsorption were carried out to investigate the adsorption behavior of 2-naphthalenesulfonic acid(NSA), sulfuric acid and sulfurous acid from their solution at 298 K onto the novel hybrid iron impregnated D301(Fe-D301). Adsorption affinity of NSA on Fe-D301 was found to be much higher than that of sulfuric acid, while adsorption affinity of sulfuric acid was slightly higher than that of sulfurous acid. The data of single-solute adsorption were fitted to the Langmuir model and the Freundlich adsorption model. The non-ideal competitive adsorbed model coupled with the single-solute adsorption models were used to predict the bisolute and trinary-solute competitive adsorption equilibria. The NICM coupled with the Langmuir model yields the favorable representation of the bisolute and trinary-solute competitive adsorption behavior.