Calibration of Discrete Element Heat Transfer Parameters by Central Composite Design

The efficiency and precision of parameter calibration in discrete element method （DEM） are not satisfactory, and parameter calibration for granular heat transfer is rarely involved. Accordingly, parameter calibration for granular heat transfer with the DEM is studied. The heat transfer in granular assemblies is simulated with DEM, and the effective thermal conductivity （ETC） of these granular assemblies is measured with the transient method in simulations. The measurement testbed is designed to test the ETC of the granular assemblies under normal pressure and a vacuum based on the steady method. Central composite design （CCD） is used to simulate the impact of the DEM parameters on the ETC of granular assemblies, and the heat transfer parameters are calibrated and compared with experimental data. The results show that, within the scope of the considered parameters, the ETC of the granular assemblies increases with an increasing particle thermal conductivity and decreases with an increasing particle shear modulus and particle diameter. The particle thermal conductivity has the greatest impact on the ETC of granular assemblies followed by the particle shear modulus and then the particle diameter. The calibration results show good agreement with the experimental results. The error is less than 4%, which is within a reasonable range for the scope of the CCD parameters. The proposed research provides high efficiency and high accuracy parameter calibration for granular heat transfer in DEM.

Optimization of extraction technology of safflower polysaccharide based on central composite design-response surface methodology

Objective:To explore the best extraction technology of safflower polysaccharide by central composite design response surface methodology and evaluate its quality.Methods:Taking the extraction rate of Carthamus tinctorius polysaccharide as the index,taking the ratio of solid to liquid,extraction time,extraction temperature and extraction times as the investigation factors,based on the single factor experiment,the central composite design-response surface methodology was used to optimize the optimum extraction process of Carthamus tinctorius polysaccharide and verify it.Results:The response surface model was established with the extraction rate of Carthamus tinctorius polysaccharide as dependent variable Y,the ratio of solid to liquid,extraction time and extraction temperature as independent variables X,P<0.0001.The optimum extraction process was as follows:the ratio of solid to liquid was 1:16.69,the extraction temperature was 91.39℃,and the extraction working time was 89.78min.Under these conditions,the extraction rate of safflower polysaccharide can reach 7.45%,The experimental results show that RSD is 1.05%,and the model can well predict the experimental results.Conclusion:Central Composite Design-Response Surface Methodology has the advantages of high extraction rate,simple,effective and reasonable process operation,high stability and high precision,which can be fully applied to the resource management and utilization of safflower polysaccharide.

Optimization of Jiawei Qing'e Oral Fast Disintegrating Tablets Based on Response Surface-Central Composite Design

Abstract: Objective To apply the response surface-central composite design to developing and optimizing the oral fastdisintegrating tablets (ODT) formulation for Jiawei Qing’e, a kind of prescription of Chinese herbal medicine.Methods The bitterness of Jiawei Qing’e was masked using Eudragit E-100 by solvent evaporation technique.Response surface approach was applied to investigating the interaction of formulation parameters in optimizing theformulation. The independent variables were Eudragit E-100/drug ratio (X1), amount of disintegrants (X2), and theamount of diluents (X3). The disintegration time (Y1), hardness (Y2), and weight variations of the tablets werecharacterized. Results The models predicted levels of X1= 4.63%, X2= 5.25%, and X3= 34.33%, for the optimalformulation having a hardness of 3.0 kg with the disintegration time of 30 s within experimental region. The observedresponse of Y1= 26.5 s and Y2= 3.14 kg reasonably agreed with the predicted response. Conclusion Responsesurface methodology shows the good predictability and reliability in optimizing the formulation. The optimized ODTof Jiawei Qing’e has acceptable taste, rapid disintegrating ability, and good mechanical strength.

Optimization of compression formulation and load of food-grade tracers for grain traceability using central composite design

Food-grade tracers have been developed as an identification technology for grain traceability from original harvest to final destination for transportation.The characteristics of food-grade tracers must be able to satisfy the environmental demands for grain traceability.To optimize the food-grade tracer production process,the effects of direct compression formulation and load on the mechanical characteristics were studied using response surface methodology(RSM)with central composite design(CCD).Among the four tested formulations,Formulations#2(consisting of 35.00%lactose 100 mesh,64.50%microcrystalline cellulose 102 and 0.50%magnesium stearate)and#4(consisting of 38.00%lactose 100 mesh,50.00%microcrystalline cellulose 102,11.00%pregelatinized starch and 1.00%magnesium stearate)were selected for tracer production based on their physical properties as powders.The value of Carr’s flowability index was 68 for both Formulations#2 and#4,which was the highest among all the formulations.Therefore,Formulations#2 and#4 also had the best powder flowability.The magnesium stearate ratio(1.00%-3.00%)and pressure(6.00-16.00 kgf)were used as independent variables to detect changes in the breaking rate,peak shear force and friction coefficient of tracers compressed by the selected formulations.The optimal production parameters could be achieved at a magnesium stearate ratio of 2.25%and pressure of 16.00 kgf for Formulation#2 and at a magnesium stearate ratio of 1.02%and pressure of 16.00 kgf for Formulation#4.Under these optimal conditions,the tracers had good impact characteristics(breaking rate),compression characteristics(peak shear force)and frictional characteristics(friction coefficient).Moreover,Formulation#2 was more suitable for production because compared to Formulation#4,its breaking rate and friction coefficient values were lower,and its peak shear force value was higher.

Central composite design for optimization and formulation of desulphurization of iron ore concentrate using atmospheric leaching process

Owing to the negative effects of sulphur in iron ore on steelmaking process and environment, a tank leaching process was performed in atmospheric conditions to remove the sulphur from the iron ore concentrate and simultaneously to transform sulphide minerals into useful by-products. To achieve desirable sulphur removal rate and efficiency, central composite design was adopted as a response surface methodology for the optimization and evaluation of the process. A full-quadratic polynomial equation between the sulphur removal and the studied parameters was established to assess the behaviour of sulphur removal as a function of the factors and to predict the results in various conditions. The optimum conditions were obtained based on the variance tests and response surface plots, from which the optimized ranges for each factor resulting in the best response （corresponding to the highest percentage of desulphurization） could be then achieved. The results show that most desirable conditions are atmospheric leaching in 1.39 mol/dm3 nitric acid and 0.88 mol/dm3 sulphuric acid for 47 h. The designed process under the optimized desulphurization conditions was applied to a real iron ore concentrate. More than 75% of the total sulphur was removed via the leaching process. In addition to the desulphurization, the conversion of sulphide-bearing minerals into useful by-products, extraction of valuable metals, and executing the process under atmospheric conditions are the other advantages of the proposed method.

Optimization of micellar electrokinetic capillary chromatography method using central composite design for the analysis of components in Yangwei granule

Central composite design(CCD),together with multiple linear regression,was successfully used to optimize the electrophoretic buffer system of micellar electrokinetic capillary chromatography(MEKC) for the determination of albiflorin,paeoniflorin,liquiritin,and glycyrrhizic acid in the traditional Chinese medicine(TCM) prescription,Yangwei granule.Concentrations of sodium deoxycholate(SDC) and borate,and proportions of ammonia,acetonitrile,and methanol were optimized.The total resolutions of peaks between the analytes and their adjacent peaks in real samples were integrated into the evaluation index of separation efficiency.The optimum electrophoretic buffer contained 80 mmol/L SDC,20 mmol/L borate,5%(v/v) methanol,0.5%(v/v) ammonia,and 5%(v/v) acetonitrile.The correlation coefficients(R 2 ) between the peak areas and the corresponding concentrations of analytes were greater than 0.9956.The limits of detection(LODs) (S/N=3) of the analytes were 0.97-4.00μg/ml.The results indicate the superiority of CCD in optimizing the separation conditions of complex samples such as TCM prescriptions.

Modeling of biodiesel production: Performance comparison of Box–Behnken, face central composite and full factorial design

The performances of the response surface methodology(RSM)in connection with the Box–Behnken,face central composite or full factorial design(BBD,FCCD or FFD,respectively)were compared for the use in modeling of the NaOH-catalyzed sunflower oil ethanolysis.The influence of temperature,catalyst loading,and ethanol-to-oil molar ratio(EOMR)on fatty acid ethyl esters(FAEE)content was evaluated.All three multivariate strategies were efficient in the statistical modeling and optimization of the influential process variables but BBD and FCCD realization involved less number of experiments,generating smaller costs,requiring less work and consuming shorter time than the corresponding FFD.All three designs resulted in the same optimal catalyst loading(1.25%of oil)and EOMR(12:1).The reduced two-factorinteraction(2 FI)models based on the BBD and FCCD defined a range of optimal reaction temperature(25℃–75℃)and 25℃,respectively while the same model based on the 33 FFD appointed 75℃.The predicted FAEE content of about 97%–98.0%was close to the experimentally obtained FAEE content of about 97.0%–97.6%under the optimal reaction conditions.Therefore,the simpler BBD or FCCD might successfully be applied for statistical modeling of biodiesel production processes instead of the more extensive,more laborious and more expensive FFD.

Degradation of refractory organics in concentrated leachate by the Fenton process: Central composite design for process optimization

The primary aim of this study is inert COD removal from leachate nanofiltration concentrate because of its high concentration of resistant organic pollutants.Within this framework,this study focuses on the treatability of leachate nanofiltration concentrate through Fenton oxidation and optimization of process parameters to reach the maximum pollutant removal by using response surface methodology(RSM).Initial pH,Fe2+concentration,H_(2)O_(2)/Fe^(2+)molar ratio and oxidation time are selected as the independent variables,whereas total COD,color,inert COD and UV254 removal are selected as the responses.According to the ANOVA results,the R^(2) values of all responses are found to be over 95%.Under the optimum conditions determined by the model(pH:3.99,Fe^(2+):150 mmol/L,H_(2)O_(2)/Fe^(2+):3.27 and oxidation time:84.8 min),the maximum COD removal efficiency is determined as 91.4%by the model.The color,inert COD and UV254 removal efficiencies are determined to be 99.9%,97.2%and 99.5%,respectively,by the model,whereas the total COD,color,inert COD and UV254 removal efficiencies are found respectively to be 90%,96.5%,95.3%and 97.2%,experimentally under the optimum operating conditions.The Fenton process improves the biodegradability of the leachate NF concentrate,increasing the BOD5/COD ratio from the value of 0.04 to the value of 0.4.The operational cost of the process is calculated to be 0.238€/g COD_(removed).The results indicate that the Fenton oxidation process is an efficient and economical technology in improvement of the biological degradability of leachate nanofiltration concentrate and in removal of resistant organic pollutants.

Application of response surface methodology and central composite rotatable design for modeling the influence of some operating variables of the lab scale thickener performance

This study discussed the application of response surface methodology(RSM)and central composite rotatable design(CCRD)for modeling and optimization of the influence of some operating variables on the performance of a lab scale thickener for dewatering of tailing in the flotation circuit.Four thickener operating variables,namely feed flowrate,solid percent,flocculant dosage and feedwell height were changed during the tests based on CCRD.The ranges of values of the thickener variables used in the design were a feed flowrate of 9–21 L/min,solid percent of 8%–20%,flocculant dosage of 1.25–4.25 g/t and feedwell height of 16–26 cm.A total of 30 thickening tests were conducted using lab scale thickener on flotation tailing obtained from the Sarcheshmeh copper mine,Iran.The underflow solid percent and bed height were expressed as functions of four operating parameters of thickener.Predicted values were found to be in good agreement with experimental values(R2values of 0.992 and 0.997 for underflow solid percent and bed height,respectively).This study has shown that the RSM and CCRD could effciently be applied for the modeling of thickener for dewatering of flotation tailing.

An Expert System in FRP Composite Material Design

An expert system prototype for fibre-reinforced plastic matrix (FRP) composite material design, ESFRP, has been developed. The system consists of seven main functional parts: a general inference engine, a set of knowledge bases, a material properties algorithm base, an explanation engine, various data bases, several function models and the user interface. The ESFRP can simulate human experts to make design scheme for fibre-reinforced plastics design, FRP layered plates design and FRP typical engineering components design. It can also predict the material properties and make strength analysis according to the micro and macro mechanics of composite materials. A satisfied result can be gained through the reiterative design.

High-strength Ti-Al-V-Zr cast alloys designed using α and β cluster formulas

Ti-Al-V-Zr quaternary titanium alloys were designed followingα-{[Al-Ti12](AlTi2)}17-n+β-{[Al-Ti12Zr2](V3)}n,where n=1-7(the number ofβunits),on the basis of the dual-cluster formula of popular Ti-6Al-4V alloy.Such an alloying strategy aims at strengthening the alloy via Zr and V co-alloying in theβ-Ti unit,based on the originalβformula[Al-Ti14](V2Ti)of Ti-6Al-4V alloy.The microstructures of the as-cast alloys by copper-mold suction-casting change from pureα(n=1)toα+α’martensite(n=7).When n is 6,Ti-5.6Al-6.8V-8.1Zr alloy reaches the highest ultimate tensile strength of 1,293 MPa and yield strength of 1,097 MPa,at the expense of a low elongation of 2%,mainly due to the presence of a large amount of acicularα’martensite.Its specific strength far exceeds that of Ti-6Al-4V alloy by 35%.

A novel Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy designed using cluster-plus-glue-atom model for laser additive manufacturing

A novel Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy was designed using the cluster formula approach(cluster-plus-glue-atom model)and prepared by laser melting deposition(LMD).Its composition formula 12[Al-Ti_(12)](AlTi_(2))+5[Al_(0.8)Si_(0.2)-Ti_(12)Zr_(2)](V_(0.8)Mo_(0.2)Nb_(1)Ti)features an enhancedβ-Ti via co-alloying of Zr,V,Mo,Nb and Si.The experimental results show that the cluster formula ofαandβphases in the novel alloy are respectivelyα-[Al-Ti_(11.5)Zr_(0.5)](Al_(1)Ti_(2))andβ-[Al_(0.8)Si_(0.2)-Ti_(13.2)Zr_(0.8)](V_(1)Mo_(0.4)Nb_(1.6)),both containing Zr elements.The fitted composition via the α andβphase cluster formulas has little difference with the actual alloy composition,suggesting that the validity of cluster-plus-glue-atom model in the alloy composition design.After hot isostatic pressing(HIP),both the Ti-6Al-4V and the novel alloy by LMD are characterized by prior-βcolumnar grains,while the typical<100>texture disappears.Compared with Ti-6Al-4V,Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy exhibits a combination of higher strength(1,056 MPa)and higher ductility(14%)at room temperature and higher strength(580 MPa)at 550℃ after HIP,and can potentially serves as LMD materials.

Effect of Variable Selection on Multidisciplinary Design Optimization:a Flight Vehicle Example

Different multidisciplinary design optimization （MDO） problems are formulated and compared. Two MDO formulations are applied to a sounding rocket in order to optimize the performance of the rocket. In the MDO of the referred vehicle, three disciplines have been considered, which are trajectory, propulsion and aerodynamics. A special design structure matrix is developed to assist data exchange between disciplines. This design process uses response surface method （RSM） for multidisciplinary optimization of the rocket. The RSM is applied to the design in two categories： the propulsion model and the system level. In the propulsion model, RSM determines an approximate mathematical model of the engine output parameters as a function of design variables. In the system level, RSM fits a surface of objective function versus design variables. In the first MDO problem formulation, two design variables are selected to form propulsion discipline. In the second one, three new design variables from geometry are added and finally, an optimization method is applied to the response surface in the system level in order to find the best result. Application of the first developed multidisciplinary design optimization procedure increased accessible altitude （performance index） of the referred sounding rocket by twenty five percents and the second one twenty nine.

Optimization of Process Parameters for in High-Energy Ball Milling of CNTs/Al2024 Composites Through Response Surface Methodology

The mathematical models are developed to evaluate the ultimate tensile strength( UTS) and hardness of CNTs / Al2024 composites fabricated by high-energy ball milling. The effects of the preparation variables which are milling time,rotational speed,mass fraction of CNTs and ball to powder ratio on UST and hardness of CNTs / Al2024 composites are investigated. Based on the central composite design( CCD),a quadratic model is developed to correlate the fabrication variables to the UST and hardness. From the analysis of variance( ANOVA),the most influential factor on each experimental design response is identified. The optimum conditions for preparing CNTs / Al2024 composites are found as follows: 1. 53 h milling time,900 r / min rotational speed,mass fraction of CNTs 2. 87% and Ball to powder ratio 25 ∶ 1. The predicted maximum UST and hardness are 273.30 MPa and 261.36 HV,respectively. And the experimental values are 283.25 MPa and256.8 HV,respectively. It is indicated that the predicted UST and hardness after process optimization are found to agree satisfactory with the experimental values.

Design for Ti-Al-V-Mo-Nb alloys for laser additive manufacturing based on a cluster model and on their microstructure and properties

In this study,α+βTi-Al-V-Mo-Nb alloys with the addition of multiple elements that are suitable for laser additive manufacturing(LAM)were designed according to a Ti-6Al-4V cluster formula.This formula can be expressed as 12[Al-Ti12](AlTi2)+5[Al-Ti14]((Mo,V,Nb)2Ti),in which Mo and Nb were added into the alloys partially instead of V to give alloys with nominal compositions of Ti-6.01Al-3.13V-1.43Nb,Ti-5.97Al-2.33V-2.93Mo,and Ti-5.97Al-2.33V-2.20Mo-0.71Nb(wt.%).The microstructures and mechanical properties of the as-deposited and heat-treated samples prepared via LAM were examined.The sizes of theβcolumnar grains andαlaths in the Nb-containing samples are found to be larger than those of the Ti-6Al-4V alloy,whereas Mo-or Mo/Nb-added alloys contain finer grains.It indicates that Nb gives rise to coarsenedβcolumnar grains andαlaths,while Mo significantly refines them.Furthermore,the single addition of Nb improves the elongation,whereas the single addition of Mo enhances the strength of the alloys.The simultaneous addition of Mo/Nb significantly improves the comprehensive mechanical properties of the alloys,leading to the best properties with an ultimate tensile strength of 1,070 MPa,a yield strength of 1,004 MPa,an elongation of 9%,and micro-hardness of 355 HV.The fracture modes of all the alloys are ductile-brittle mixed fracture.

PHASE STRUCTURE FACTOR AND INTERFACE CONJUNCTION FACTOR OF CAST IRON AND ITS COMPOSITION DESIGN

Theempiricalelectrontheory of solidsand molecules( EET) and theimproved TFDtheory wereapplied tocalculatethe phasestructurefactorsand interfaceconjunction factorsofcom mon alloying elementsincastiron. Akind of Si- Mo- Cu ductileiron with rareearth Mg asnodularizer was designed accordingtothese valenceelectron structure parameters. Actual applicationtestsshow thatthelongevity of thisiron is 1.5 timesof thatof high manganesesteel. This accordance of theoretical results and actual effectsshows the composition design methodcan beused in othercastiron research.

Computer-Aided Design of Some Advanced Steels and Cemented Carbides

Thermodynamic and kinetic study on TRIP （transformation induced plasticity） steels, cemented carbides and mold steel for plastics were carried out in order to design modern advanced materials. With the sublattice model, equilibrium compositions of ferrite and austenite phases in TRIP steels, as well as volume fraction of austenite at inter-critical temperatures for different time were calculated. Concentration profiles of carbon, manganese, aluminum and silicon in the steels were also estimated in the lattice fixed frame of reference. The effect of Si and Mn on TRIP was discussed according to thermodynamic and kinetic analyses. In order to understand and produce the graded nanophase structure of cemented carbides, miscellaneous phases in the M-Co-C （M= Ti, Ta, Nh） systems and Co-V-C system were modeled. Solution parameters and thermodynamic： properties were listed in detail. The improvement of machining behavior of prehardened mould steel for plastics was obtained by computer-aided composition design. The results showed that the matrix composition of large-section prehardened mould steel for plastic markedly influences the precipitation of non-metallic inclusion and the composition control by the aid of Thermo-Calc software package minimizes the amount of detrimental oxide inclusion. In addition, the modification of calcium was optimized in composition design.

Design of an age hardening Mg-Li alloy and its aging behavior

An effort was made to design an age hardening Mg-Li alloy based on the phase diagrams calculated by means of 'THERMO-CALC'—a thermodynamic software. Experiments were carried out to verify the calculated results by melting the alloy and examining its structure and aging behavior. The results show that the alloy possesses a structure constituent as expected, besides, the alloy has apparent aging behavior and over aging happens even at lower temperature. Metastable (Mg, Li, Al, Zn) phase has been identified when the hardness reaches the aging peak. With the increase of the aging time, (Mg, Li, Al, Zn) phase transforms to stable α phase and over aging happens.

Application of Empirical Electron Theory of Solids and Molecules to Composition Design of Multi-Component Medium-Low-Alloy Steels

For austenitic octahedral segregation structure units, their pure mathematics statistic distribu!ive probability is calculated by the empirical electron theory （EET） of solids and molecules and K-B formula. The practical distributive probability can be obtained only if the statistic distribution of austenitic octahedral segregation structure units and the interaction of the alloying elements in steel are considered. Based on 8 groups of experimental data of original steels, three empirical formulas revealing relationships between material macromechanics factor （Sm） and tensile strength （ab）, or impact energy （AK）, or hardness （HRC） of multi-component medium-low-alloy steels were established, respectively. Through the three empirical formulas, new supersaturated carburizing steel has been successfully designed and developed. The other 2 groups of the original experimental steels are used as the standard steel for testing the percentage error of the new steel. The results show that the calculated values are well consistent with those of measured ones and the new supersaturated carburized steel can meet the requirements of the die assembly of cold-drawn seamless stainless steel tube of Taiyuan Iron ＆ Steel （Group） Company LTD.