Role of iron ore in enhancing gasification of iron coke:Structural evolution,influence mechanism and kinetic analysis

The utilization of iron coke provides a green pathway for low-carbon ironmaking.To uncover the influence mechanism of iron ore on the behavior and kinetics of iron coke gasification,the effect of iron ore on the microstructure of iron coke was investigated.Furthermore,a comparative study of the gasification reactions between iron coke and coke was conducted through non-isothermal thermogravimetric method.The findings indicate that compared to coke,iron coke exhibits an augmentation in micropores and specific surface area,and the micropores further extend and interconnect.This provides more adsorption sites for CO_(2) molecules during the gasification process,resulting in a reduction in the initial gasification temperature of iron coke.Accelerating the heating rate in non-isothermal gasification can enhance the reactivity of iron coke.The metallic iron reduced from iron ore is embedded in the carbon matrix,reducing the orderliness of the carbon structure,which is primarily responsible for the heightened reactivity of the carbon atoms.The kinetic study indicates that the random pore model can effectively represent the gasification process of iron coke due to its rich pore structure.Moreover,as the proportion of iron ore increases,the activation energy for the carbon gasification gradually decreases,from 246.2 kJ/mol for coke to 192.5 kJ/mol for iron coke 15wt%.

Effect of surface dissolution on kinetic parameters in flotation of ilmenite from different gangue minerals

The effects of acid surface dissolution on the flotation kinetics of ilmenite(IL)and its common accompanied gangue minerals including olivine-pyroxene(Ol-Px),tremolite-clinochlore(Tr-Cch)and quartz were investigated.The results show that through the surface dissolution the adsorption rate constant for ilmenite increases from 5.272 to 8.441 mol/(g·min)while it decreases for Ol-Px,Tr-Cch and quartz from 6.332,7.309 and 7.774 mol/(g·min)to 5.034,6.223 and 7.371 mol/(g·min),respectively.Also,the flotation experiments on a binary mixture of minerals indicate that after surface dissolution the values of modified rate constant for ilmenite flotation from Ol-Px,Tr-Cch and quartz are enhanced from 36.15,36.52 and 47.86 min-1 to 41.72,45.78 and 56.24 min-1,respectively.This results in the improvement of kinetic selectivity index(SI)in the separation of treated ilmenite from gangue minerals.As evidenced by ICP-MS analysis,the decrease of kinetic parameters for gangue minerals can be due to the removal of Fe^2+,Ca^2+and Mg^2+ions from their surfaces,which results in the lack of enough active sites to interact with collector species.As confirmed by contact angle measurements,this prevents the formation of a stable hydrophobic layer on the minerals surfaces for creating stable attachments between minerals and bubbles.Generally,the improvement of ilmenite flotation kinetics has a negative correlation with the iron content in its accompanied gangue minerals.

The Most Probable Mechanism Function and Kinetic Parameters of Gibbsite Dissolution in NaOH

Determination of probable mechanism function and kinetic parameters is important to hydrometallurgical kinetics.In this work,the most probable mechanism function and kinetic parameters of gibbsite dissolution in NaOH solution are studied.The sample,the mixture of synthetic gibbsite and sodium hydroxide solution,was scanned in high-pressure differential scanning calorimetry(DSC) equipment with the heating rate of 10 K·min-1. Integral equation and differential equation of non-isothermal kinetics were solved to fit the data related to DSC curve.According to the calculation results,the most probable mechanism function for pure synthetic gibbsite dissolution in sodium hydroxide solution is presented based on the optimum procedure in the database of the mechanism function.The apparent activation energy obtained is(75±1) kJ·mol-1,the frequency factor is 10 8±1mol·s-1,and the reaction is a second order reaction.

Comparison of Seven Kinetic Equations for K Release and Application of Kinetic Parameters

Corn field experiments with two treatments, NP and NPK, where N in the form of urea, P in the form of calcium phosphate, and K in the form of KCl were applied at rates of 187.5, 33.3, and 125 kg ha^-1, respectively, on soils derived from Quaternary red clay were conducted in the hilly red soil region of Zhejiang Province, China. Plant grains and stalks were collected for determination of K content. Seven equations were used to describe the kinetics of K release from surface soil samples taken before the corn experiments under electric field strengths of 44.4 and 88.8 V cm^-1 by means of electro-ultrafiltration （EUF） and to determine if their parameters had a practical application. The second-order and Elovich equations excellently described K release; the first-order, power function, and parabolic diffusion equations also described K release well; but the zero-order and exponential equations were not so good at reflecting K release. Five reference standards from the field experiments, including relative grain yield （yield of the NP treatment/yield of the NPK treatment）, relative dry matter yield （dry matter of the NP treatment/dry matter of the NPK treatment）, quantity of K uptake in the NP treatment （no K application）, soil exchangeable K, and soil HNO3-soluble K, were used to test the effectiveness of equation parameters obtained from the slope or intercept of these equations. Correlations of the ymax （the maximum desorbable quantity of K） in the second-order equation and the constant b in the first-order and Elovich equations to all five reference standards were highly significant （P ≤ 0.01）. The constant a in the power function equation was highly significant （P 〈 0.01） for four of the five reference standards with the fifth being significant （P ≤ 0.05）. The constant b in the parabolic equation was also significantly correlated （P ≤ 0.05） to the relative grain yield and soil HNO3-soluble K. These suggested that all of these parameters could be used to estimate the soil K supplying capacity and the crop response to K fertilizer.

Effective point kinetic parameters calculation in Tehran research reactor using deterministic and probabilistic methods

The exact calculation of point kinetic parameters is very important in nuclear reactor safety assessment, and most sophisticated safety codes such as RELAP5, PARCS,DYN3D, and PARET are using these parameters in their dynamic models. These parameters include effective delayed neutron fractions as well as mean generation time.These parameters are adjoint-weighted, and adjoint flux is employed as a weighting function in their evaluation.Adjoint flux calculation is an easy task for most of deterministic codes, but its evaluation is cumbersome for Monte Carlo codes. However, in recent years, some sophisticated techniques have been proposed for Monte Carlo-based point kinetic parameters calculation without any need of adjoint flux. The most straightforward scheme is known as the ‘‘prompt method'' and has been used widely in literature. The main objective of this article is dedicated to point kinetic parameters calculation in Tehran research reactor(TRR) using deterministic as well as probabilistic techniques. WIMS-D5B and CITATION codes have been used in deterministic calculation of forward and adjoint fluxes in the TRR core. On the other hand, the MCNP Monte Carlo code has been employed in the ‘‘prompt method''scheme for effective delayed neutron fraction evaluation.Deterministic results have been cross-checked with probabilistic ones and validated with SAR and experimental data. In comparison with experimental results, the relativedifferences of deterministic as well as probabilistic methods are 7.6 and 3.2%, respectively. These quantities are10.7 and 6.4%, respectively, in comparison with SAR report.

Turbulence Intensity and Turbulent Kinetic Energy Parameters over a Heterogeneous Terrain of Loess Plateau

A deep understanding of turbulence structure is important for investigating the characteristics of the atmospheric boundary layer,especially over heterogeneous terrain.In the present study,turbulence intensity and turbulent kinetic energy（TKE）parameters are analyzed for different conditions with respect to stability,wind direction and wind speed over a valley region of the Loess Plateau of China during December 2003 and January 2004.The purpose of the study is to examine whether the observed turbulence intensity and TKE parameters satisfy Monin–Obukhov similarity theory（MOST）,and analyze the wind shear effect on,and thermal buoyancy function of,the TKE,despite the terrain heterogeneity.The results demonstrate that the normalized intensity of turbulence follows MOST for all stability in the horizontal and vertical directions,as well as the normalized TKE in the horizontal direction.The shear effect of the wind speed in the Loess Plateau region is strong in winter and could enhance turbulence for all stability conditions.During daytime,the buoyancy and shear effect together constitute the generation of TKE under unstable conditions.At night,the contribution of buoyancy to TKE is relatively small,and mechanical shearing is the main production form of turbulence.

Analysis of equilibrium, kinetic, and thermodynamic parameters for biosorption of fluoride from water onto coconut(Cocos nucifera Linn.)root developed adsorbent

Drinking water with higher fluoride levels results in serious irremediable health problems that have attained a startle all over the world.Researches focused towards deflouridation through the application of biosorbents prepared from various plants are finding greater scope and significance.Present research is done on Cocos nucifera Linn.(coconut tree) one of the very commonly available plants throughout Kerala and around the globe.An adsorbent developed from the root portion of C.nucifera Linn.is used in the present study.Equilibrium study revealed that the fluoride uptake capacity is quite significant and linearly increases with initial adsorbate concentration.The adsorption data is analyzed for Langmuir, Freundlich, Temkin, and Dubinin–Radushkevich isotherm models at varying initial adsorbate concentrations(2–25 mg·L^(-1)).It is found that the adsorption of fluoride onto C.nucifera Linn.root adsorbent follows Langmuir isotherm.Langmuir isotherm constants "a" and "b" obtained are 2.037 mg·g^(-1) and 0.823 L·mg^(-1) at an adsorbent dose of 8 g·L^(-1) and temperature(26 ± 1) ℃.The mean free sorption energy, E obtained, is 9.13 kJ ·mol^(-1) which points out that the adsorption of fluoride onto C.nucifera Linn.root adsorbent is by chemisorption mechanism.The kinetic study also supports chemisorption with adsorption data fitting well with a pseudo-second-order kinetic model with an estimated rate constant K_2 of 0.2935 g·mg^(-1) min at an equilibrium contact time of 90 min.The thermodynamic study indicated the spontaneous and endothermic nature(ΔH =12.728 kJ·mol^(-1)) of fluoride adsorption onto the C.nucifera Linn.root adsorbent.Scanning Electron Microscopy(SEM), BET, FTIR, and EDX methods were used to analyze the surface morphology of adsorbent before and after fluoride adsorption process.Experiments on deflouridation using C.nucifera Linn.root adsorbent application on fluoride contaminated ground water samples from fields showed encouraging results.

Kinetic Parameters Estimation of MgO-C Refractory by Shrinking Core Model

Kinetics of oxidation of MgO-C refractories was investigated by shrinking core modeling of the gas-solid reactions taking place during heating the porous materials to the high temperatures. Samples containing 4.5-17 wt pct graphite were isothermally oxidized at 1000-1350℃. Weight loss data was compared with predictions of the model. A mixed 2-stage mechanism comprised of pore diffusion plus boundary layer gas transfer was shown to generally control the oxidation rate. Pore diffusion was however more effective, especially at graphite contents lower than 10 wt pct under forced convection blowing of the air. Model calculations showed that effective gas diffusion coefficients were in the range of 0.08 to 0.55 cm^2/s. These values can be utilized to determine the corresponding tortuosity factors of 6.85 to 2.22. Activation energies related to the pore diffusion mechanism appeared to be around （46.44±2） kJ/mol. The estimated intermolecular diffusion coefficients were shown to be independent of the graphite content, when the percentage of the graphite exceeded a marginal value of 10.

An Immune Self-adaptive Differential Evolution Algorithm with Application to Estimate Kinetic Parameters for Homogeneous Mercury Oxidation

A new version of differential evolution （DE） algorithm, in which immune concepts and methods are applied to determine the parameter setting, named immune self-adaptive differential evolution （ISDE）, is proposed to improve the performance of the DE algorithm. During the actual operation, ISDE seeks the optimal parameters arising from the evolutionary process, which enable ISDE to alter the algorithm for different optimization problems and improve the performance of ISDE by the control parameters＇ self-adaptation. The .performance of the proposed method is studied with the use of nine benchmark problems and compared with original DE algorithm ~nd-other well-known self-adaptive DE algorithms. The experiments conducted show that the ISDE clearly outperforms the other DE algorithms in all benchmark functions. Furthermore, ISDE is applied to develop the kinetic model for homogeneous mercury. （Hg） oxidation in flue gas, and satisfactory results are obtained.

Hybrid Differential Evolution for Estimation of Kinetic Parameters for Biochemical Systems

Determination of the optimal model parameters for biochemical systems is a time consuming iterative process. In this study, a novel hybrid differential evolution （DE） algorithm based on the differential evolution technique and a local search strategy is developed for solving kinetic parameter estimation problems. By combining the merits of DE with Gauss-Newton method, the proposed hybrid approach employs a DE algorithm for identifying promising regions of the solution space followed by use of Gauss-Newton method to determine the optimum in the identified regions. Some well-known benchmark estimation problems are utilized to test the efficiency and the robustness of the proposed algorithm compared to other methods in literature. The comparison indicates that the present hybrid algorithm outperforms other estimation techniques in terms of the global searching ability and the con- vergence speed. Additionally, the estimation of kinetic model parameters for a feed batch fermentor is carried out to test the applicability of the proposed algorithm. The result suggests that the method can be used to estimate suitable values of model oarameters for a comolex mathematical model.

Kinetic Parameters of Methane Generated from Source Rocks in the Kuqa Depression of Tarim Basin and Their Application

In a thermal simulation experiment of gold tubes of closed-system, calculating with the KINETICS and GOR-ISOTOPE KINETICS software, kinetic parameters of gas generation and methane carbon isotopic fractionation from Triassic-Jurassic hydrocarbon source rocks in the Kuqa depression of Tarim Basin are obtained. The activation energies of methane generated from Jurassic coal, Jurassic mudstone and Triassic mudstone in the Kuqa Depression are 197-268 kJ/mol, 180-260 kJ/mol and 214-289 kJ/mol, respectively, and their frequency factors are 5.265×10^13 s^-1, 9.761×10^11 s^-1 and 2.270×10^14 s^-1. This reflects their differences of hydrocarbon generation behaviors. The kinetic parameters of methane carbon isotopic fractionation are also different in Jurassic coal, Jurassic mudstone and Triassic mudstone, whose average activation energies are 228 kJ/mol, 205 kJ/mol and 231 kJ/mol, respectively. Combined with the geological background, the origin of natural gas in the Yinan-2 gas pool is discussed, and an accumulation model of natural gas is thus established. The Yinan- 2 gas is primarily derived from Jurassic coal-bearing source rocks in the Yangxia Sag. Main gas accumulation time is 5-0 Ma and the corresponding Ro is in the range from 1.25 %-1.95 %. The loss rate of natural gas is 25 %-30 %.

Optimization of operating parameters and kinetics for chloride leaching of lead from melting furnace slag

The feasibility and kinetics of lead recovery from the slag of traditional lead melting furnace using chloride leaching were investigated.The effects of operating parameters such as leaching time,NaCl concentration,FeCl3concentration,liquid/solid ratio,stirring rate,temperature,and particle size on recovery of lead were studied and the optimization was done through the response surface methodology(RSM)based on central composite design(CCD)model.The optimum conditions were achieved as follows:leaching time60min,80°C,stirring rate800r/min,NaCl concentration200g/L,FeCl3concentration80g/L,liquid/solid ratio16,and particle size less than106μm.More than96%of lead was effectively recovered in optimum condition.Based on analysis of variance,the reaction temperature,liquid/solid ratio,and NaCl concentration were determined as the most effective parameters on leaching process,respectively.Kinetics study revealed that chloride leaching of galena is a first-order reaction and the diffusion through solid reaction product and chemical reaction control the mechanism.The activation energy of chloride leaching of galena was determined using Arrhenius model as27.9kJ/mol.

Estimation of kinetics parameters in Beckmann rearrangement of cyclohexanone oxime using genetic algorithm

Beckmann rearrangement mechanism of cyclohexanone oxime, based on the characteristic of self-catalyzed reaction and polymorphism was proposed. According to the suggested mechanism, the basic approach was the rearrangement of OXH+ while the SO3 acts as dehydrating agent and OXSO3 can turn to CPLSO3 ultimately. Considering self-catalyzed reaction between OXSO3 and CPLH+, kinetic model for Beckmann rearrangement was established. Corresponding parameters were estimated by using float genetic algorithm （GA） and simulation results agree well with the experimental data below -19.3℃. Industrial equipment was simulated and analyzed. Effects of key process parameters such as molar ratio of sulfuric acid to oxime and circulation ratio on the residual oxime are also discussed. The results show that the caprolactam exists as CPLH+ finally in oleum and the minimum molecular ratio of sulfuric acid to oxime can be 0.5 theoretically.

Effect of Uncertainty of the Pre-Exponential Factor on Kinetic Parameters of Hydrocarbon Generation from Organic Matter and its Geological Applications

The source rock sample of the Shahejie Formation （upper Es4） in Jiyang Sag was pyrolyzed under open system with the Rock-Eval-lI apparatus, and then kinetic model parameters were calibrated for investigating the effect of uncertainty of pre-exponential factors on kinetic parameters and geological applications, where the parallel first-order reaction rate model with an average pre- exponential factor and discrete distribution activity energies was used. The results indicate that when the pre-exponential factor changes from low to high, an extreme value for residual errors occurs. And with the increasing pre-exponential factor, the distribution shape of activation energies are nearly the same, but the values of activation energies move higher integrally, and the average activation energy increases about 12 kJ/mol for every 10-fold of the pre-exponential factors. Extrapolating the geological heating rate of 3.3 ~C/Ma, the results show that with the increases in pre-exponential factor, the geological temperature corresponding to TRo.5 （transforming ratio of hydrocarbon generation is 50%） increases gradually, and the additional temperature gradually decreases. Combined with geochemical data of source rock, the kinetic parameters with different pre-exponentia[ factors are used to calculate the transformation ratio of hydrocarbon generation, and the result indicates that kinetic parameters corresponding to the better optimized pre-exponential factor are more suitable. It is suggested that the risk assessment of hydrocarbon generation kinetic parameters should be enhanced when using the kinetic method to appraise the oil-gas resources. Meantime, the application result of different kinetic parameters should be verified with geological and geochemical data of source rock in the target area; therefore, the most suitable kinetic parameters for target can be obtained.

Influence of Temperature on Equilibrium, Kinetic and Thermodynamic Parameters of Biosorption of Cr(VI) onto Fish Scales as Suitable Biosorbent

In this work the potential of fish scales as a suitable biosorbent for removal of Cr(VI) ions from aqueous solutions was investigated at various temperatures. The influence of temperature on equilibrium, kinetics as well as thermodynamic parameters was investigated. Various isotherm models such as Langmuir, Freundlich, R - P, D - R, Temkin and Halsey were used for the mathematical description of the biosorption of Cr(VI) ions onto fish scales. It was observed that Freundlich model exhibited the best fit to experimental data. Amongst the various kinetic models tested, the pseudo-first-order kinetic model represented the best correlation for the biosorption of Cr(VI) onto fish scales at various temperatures. In addition, various thermodynamic parameters such as ?Go, ?Ho and ?So were also determined. The biosorption of Cr(VI) was found to be a spontaneous and endothermic process.

Pharmacokinetic parameters investigation on interaction between Danshen injection and Honghua injection

OBJECTIVE Danshen injection and Honghua injection,traditional Chinese medicine(TCM)injections,made from the extracts of Salvia miltiorrhiza Bge.and Carthamus tinctorius L.,have a potential to be developed into the useful drugs for the.As the common TCM injections,Danshen injection is often combined with Honghua injection to treat cardiovascular disease.The purpose of this study was to investigate the pharmacokinetic parameters of Honghua injection combined with Danshen injection when they were coadministered intravenously in human and rats through the tail vein.METHODS Single and multiple doses of Danshen injection to study Danshen injection on Honghua injection pharmacokinetics parameters and single and multiple doses of Honghua injection to study Honghua injection on Danshen injection pharmacokinetics parameters.The plasma concentrations of hydroxysafflor A(HSYA)and tanshinol and salvianolic acid B were determined by the reliable high-performance liquid chromatography(HPLC)method.The concentrations of HSYA in urine of rats and human were also determined by HPLC method.DAS 2.1.1software was adopted for calculating the pharmacokinetic parameters.RESULTS The simultaneous intravenous Honghua injection and salvia miltiorrhiza injiection significantly altered the pharmacokinetic parameters of both injections when compared with the individual intravenous administration of each injection.The area under the concentration-timecurve(AUC)and maximum plasma concentration(Cmax)of HSYA and tanshinol and salvianolic acid B were significantly increased.The cumulative urine excretion of HSYA in human and rats during 24 h was decreased after two drugs were administered simultaneously by the intravenous.CONCLUSION Honghua injection and Danshen injection interact with each other following simultaneous intravenous and they have a synergistic action.This experiment has identified the pharmacokinetic parameters and provided a rationale for the clinical use of the drug combination.

Kinetic study and kinetic parameters of lipase-catalyzed glycerolysis of sardine oil in a homogeneous medium

The production of polyunsaturated fatty acids （PUFAs） concentrates by enzymatic catalysis has gained interest due to their stereospecificity and the milder conditions employed compared to the use of inorganic catalysts. The enzymatic glycerolysis of sardine oil by Lipozymeò435 to get PUFA concentrates in the forms of di‐and monoacylglycerols （DAGs, MAGs） in an optimized amount of tert‐butanol as the organic solvent was studied. First, mass transfer limitation of the reaction sys‐tem was analyzed. The effects of different operating variables such as lipase loading, temperature and feed composition were investigated. A semi‐empirical kinetic model based on the reversible elementary reactions of glycerolysis and hydrolysis of the glycerides was employed to correlate the experimental kinetic data. A molar ratio glycerol：oil of 3：1 was the optimum, which produced more than 84 wt%of MAG at 323 K. A comparison with other glycerolysis systems was performed using MAG yield, reaction rate and significance of kinetic parameters.

Estimation of Time to Maximum Rate Under Adiabatic Conditions(TMR_(ad)) Using Kinetic Parameters Derived From DSC-Investigation of Thermal Behavior of 3-Methyl-4-Nitrophenol

Kinetic parameters of the decomposition of hazardous chemicals can be applied for the estimation of their thermal behavior under any temperature profile.Presented paper describes the application of the advanced kinetic approach for the determination of the thermal behavior also under adiabatic conditions occurring e.g.in batch reactors in case of cooling failure.The kinetics of the decomposition of different samples(different manufacturers and batches) of 3-methyl-4-nitrophenol were investigated by conventional DSC in non-isothermal(few heating rates varying from 0.25 to 8.0K/min) and isothermal(range of 200~260℃) modes.The kinetic parameters obtained with AKTS-Thermokinetics Software were applied for calculating reaction rate and progress under different heating rates and temperatures and verified by comparing simulated and experimental signals.After application of the heat balance to compare the amount of heat generated during reaction and its removal from the system,the knowledge of reaction rate at any temperature profiles allowed the determination of the temperature increase due to the self-heating in adiabatic and pseudo-adiabatic conditions.Applied advanced kinetic approach allowed simulation the course of the Heat-Wait-Search(HWS) mode of operation of adiabatic calorimeters.The thermal safety diagram depicting dependence of Time to Maximum Rate(TMR) on the initial temperature was calculated and compared with the results of HWS experiments carried out in the system with Ф-factor amounting to 3.2.The influence of the Ф-factor and reaction progress reached at the end of the HWS monitoring on the TMR is discussed.Presented calculations clearly indicate that even very minor reaction progress reduces the TMRad of 24h characteristic for a sample with initial reaction progress amounting to zero.Described estimation method can be verified by just one HWS-ARC,or by one correctly chosen ISO-ARC run of reasonable duration by knowing in advance the dependence of the TMR on the initial temperature for any Ф-factor.Proposed procedure results in significant shortening of the measuring time compared to a safety hazard approach based on series of ARC experiments carried out at the beginning of a process safety evaluation.

Determination of Kinetic Parameters and Metal Ions in Urea-Urease System Based on the Biochemical Reaction Heat Induced Laser Beam Deflection

A new analytical method for the determination of urea-urease system based on biochemical reaction heat induced laser beam deflection is presented in this paper. With the method, the Michaelis constant (K-m) of urease and apparent inhibition constant (K-i) of some metal ion inhibitors were measured respectively. This method was also used for the quantitative determination of metal ions with satisfactory result.

Estimation of Kinetic Parameters for Autocatalytic Oxidation of Cyclohexane Based on a Modified Adaptive Genetic Algorithm

A modified genetic algorithm of multiple selection strategies, crossover strategies and adaptive operator is constructed, and it is used to estimate the kinetic parameters in autocatalytic oxidation of cyclohexane. The influences of selection strategy, crossover strategy and mutation strategy on algorithm performance are discussed. This algorithm with a specially designed adaptive operator avoids the problem of local optimum usually associated with using standard genetic algorithm and simplex method. The kinetic parameters obtained from the modified genetic algorithm are credible and the calculation results using these parameters agree well with experimental data. Furthermore, a new kinetic model of cyclohexane autocatalytic oxidation is established and the kinetic parameters are estimated by using the modified genetic algorithm.