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Table of Content
05 April 2007, Volume 58 Issue 4
    热力学
    Measurement and correlation of liquid-liquid equilibrium data for methyl isobutyl ketone-water-phenol ternary system
    2007, 58(4):  805-809. 
    Abstract ( 704 )   PDF (1591KB) ( 672 )  
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    Fundamental liquid-liquid equilibria data are very important in modeling and design of the extraction process. To provide fundamental data for the extraction process of phenol removal from wastewater, experimental liquid-liquid equilibrium data in the range of dilute phenol concentration were determined for the ternary system methyl isobutyl ketone (MIBK)-water-phenol at 25℃, 40℃ and 50℃ under atmospheric pressure. The experimental data were correlated with the NRTL model, and binary interaction parameters of the ternary systems were obtained. The predicted data calculated by using the regressed parameters showed that the experimental data were successfully correlated with the NRTL model. The relative root mean square deviations and absolute mean deviations between calculated and experimental values were less than 2%.
    Measurement and correlation of solubilities of trans-1,2-cyclohexanediol in methylacetate and water mixed solvent
    2007, 58(4):  810-813. 
    Abstract ( 622 )   PDF (355KB) ( 425 )  
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    The solvent extraction method was used to obtain trans-1,2-cyclohexanediol in the synthesis from cyclohexene and hydrogen peroxide. On the basis of the phase equilibrium for trans-1,2-cyclohehanediol in methyl acetate, by using the laser monitoring technique, the solubilities of trans-1,2-cyclohexanediol in methyl acetate and water mixed solvent were measured in a larger temperature interval. A solubility UNIFAC model was proposed. The model was verified with experimental data in ternary systems of water+methyl acetate+trans-1,2-cyclohexanediol, and the solubilities calculated with the model were in good agreement with experimental data.
    Large-scale database-based quantitative model for predicting ion mobility spectrometry collision cross sections of peptides
    2007, 58(4):  814-816. 
    Abstract ( 686 )   PDF (488KB) ( 185 )  
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    As the definitions of 36 atomic fragment types in organic compounds,multi-order atom-pair frequency matrix was constructed in terms of atomic fragments occurring in pair at different bond distances,and based on a new molecular coding technique as characteristic atom-pair hologram code(CAHC)proposed in this paper. Collected from reference reports,a large-scale ion mobility spectrometry collision cross section database comprising 819 samples was established and quantitative structure-spectrometry relationship(QSSR)studies were performed with the CAHC. Testing modeling stabilities and generalization abilities by both internal and external examinations confirmed that CAHC was in obvious linear relationship with peptide collision cross sections,while it was involved in partially nonlinear factors for a few polypeptides. The model was deemed to assist in quantitative computer-aided predictions for peptide collision cross sections.
    Phase equilibrium of ionic liquids and high boiling point aromatic compounds
    2007, 58(4):  817-820. 
    Abstract ( 787 )   PDF (4151KB) ( 396 )  
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    Dialkylimidazolium ionic liquids (ILs) [bmim]PF6, [bmim]BF4, and alkylpyridine IL [bupy]BF4 were obtained by super critical fluid(SCF) CO2 extraction. The solubilities of naphthalene, phenanthrene, diphenyl, DBT and diphenyldisulfide in [bmim]PF6, [bmim]BF4 and [bupy]BF4,akylbenzene in [bmim]PF6 and [bmim]PF6 in akylbenzene were determined by high performance liquid chromatography (HPLC).Solubility experimental data of solid liquid equilibrium(SLE) were correlated by means of NRTL equation. The results indicate that NRTL is appropriate for the behaviour of these SLE and the average deviation is 3. 86%—9. 94%.
    传递现象
    Mechanism of initial droplet formation in dropwise condensation
    2007, 58(4):  821-828. 
    Abstract ( 770 )   PDF (8154KB) ( 444 )  
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    The mechanism of the formation of initial condensate droplets for dropwise condensation is still not clear. Magnesium was used as condensation surface in this study since it can react with hot water (condensate) and thus make the chemical composition of the surface changed. In the experiments, the initial condensation of steam on the magnesium surface was achieved in the designed apparatus by controlling subcooling and condensation time. Then, the test surface was scanned with an electron probe microanalyzer (EPMA) for the variation of the chemical composition of the surface before and after the initial condensation,which can be used to deduce the state of the initially formed condensate, whether in nuclei or in thin film. The results showed that the oxygen contents on the test surface increased with subcooling and condensation time obviously after initial condensation. And the oxygen on the test surface was not distributed uniformly. It indicated that the initial condensate was formed in nuclei on the solid surface,but not in thin film. Therefore, the mechanism of the formation initial condensate droplets for dropwise condensation accords with the hypothesis of surface nucleation sites.
    Performance of double-effect NH3-H2O absorption cycle
    2007, 58(4):  829-834. 
    Abstract ( 737 )   PDF (7318KB) ( 412 )  
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    The double-effect NH3-H2O absorption cycle is a novel efficient and compact coupled cycle that uses the absorption heat of high temperature cycle to provide the heat for the generation process of low temperature cycle. Mathematical simulation models were established to calculate and analyze refrigeration performance indices at varying temperatures of heat source,cooling water and evaporation,as well as differential concentration of solution. A comparison of coefficient of performance(COP)of the new double-effect NH3-H2O absorption cycle was made with those of for the traditional single-effect and doublestage cycles. The results showed that the double-effect NH3-H2O absorption cycle had higher COP value at cooling water temperature lower than 30℃ and evaporation temperature higher than -15℃.However,the temperature of heat source should be higher than that of the other two reference cycles.
    Absorption enhancement of carbon dioxide in aqueous activated carbon slurries
    2007, 58(4):  835-841. 
    Abstract ( 716 )   PDF (6967KB) ( 423 )  
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    A one-dimensional unstable heterogeneous mass transfer model was proposed and solved theoretically for the absorption enhancement of a sparingly soluble gas by dispersed micro particles.The enhancement factor was derived based on the surface renewal theory. The absorption of carbon dioxide into water with the added micro activated carbon particles was investigated experimentally in a thermostatic reactor, and the enhancement factors were measured at different solids loadings and stirrer speeds. The experimental data agreed well with the model predictions, and showed that the present model had high prediction accuracy.
    Molecular dynamics simulation of amino acid diffusion coefficient
    2007, 58(4):  842-847. 
    Abstract ( 1059 )   PDF (6182KB) ( 445 )  
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    By using molecular dynamics (MD) simulation, the diffusion of 12 amino acids, such as glycine and alanine was simulated at 298. 15 K with constant NVT ensemble trajectory, and the diffusion coefficients were calculated with differentiation-interval variation. The results showed that the diffusion coefficients of the same solution differed greatly when they were calculated with different molecule-number samples, and the one which was calculated with the sample with the maximum number of molecules was closest to the experimental value. Comparing calculated diffusion coefficients of 5 amino-acids in water with the values reported in literature showed an error less than 7%. Furthermore,the diffusion of oxygen in water was simulated with the same method, and satisfactory results in good agreement with the experimental value were obtained. This paper is aimed to show that the diffusion coefficients for industrial use can be calculated with the MD simulation method, which would be helpful to the development of computational mass transfer theory.
    传递现象
    Effects of heat sources on heat transfer of axially grooved heat pipe
    2007, 58(4):  848-853. 
    Abstract ( 618 )   PDF (8262KB) ( 175 )  
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    The effect of heat source location on the heat transfer of an axially grooved heat pipe was investigated. An abnormal startup process was observed when the heat source was located at a position on the heat pipe near the stationary level of the working liquid. The work temperature of the heat pipe showed a temporary increase during the abnormal startup process. The highest temperature in the abnormal startup process was influenced by the heat source location,heating rate and liquid volume in the heat pipe. When the heat source was located at different positions on the heat pipe below the stationary level of the working liquid,the working temperature,the startup process and the maximum heat load of the heat pipe were different.The heat pipe could not work normally,when the heat source was located on the heat pipe above the stationary level of the working liquid by a certain distance.
    CFD simulation on gas explosion field in linked vessels
    2007, 58(4):  854-861. 
    Abstract ( 696 )   PDF (1168KB) ( 446 )  
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    Compared with a single vessel or pipe, gas explosion which happens in linked vessels often causes high pressure and high rate of pressure rise which are intolerable by most industrial equipment. The increment of gas explosion strength in linked vessels is related with the state of gas flow and turbulent combustion. In order to reveal the mechanism of higher gas explosion strength and characteristics of flame and pressure transmission in linked vessels, the characteristics of gas explosion field must be found out. In this paper, the changes of temperature, pressure, velocity, density and reaction rate with time were obtained by CFD(computation fluid dynamics) investigation of the gas explosion field in linked vessels with the software FLUENT. The results could describe clearly the whole process of gas explosion. The results also suggested that the compression and turbulence of unburned gas caused by flow and combustion of gas mixture and the jet fire induced by turbulent flow played a significant role in the enhancement of gas explosion strength in linked vessels. The pipe which connected the vessels had great effect on the development of turbulent flow and jet fire.
    多相流
    Measurement circuits and image reconstruction techniques of electrical resistance tomography system for two-phase flow measurement
    2007, 58(4):  862-868. 
    Abstract ( 647 )   PDF (992KB) ( 445 )  
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    A high speed electrical resistance tomography (ERT) system was developed, in which the electrodes were excited with a bi-directional pulse current source. The main advantages of this new design included absence of polarization effect at electrodes and high speed data acquisition due to the simplified filters design. Based on the linear back projection (LBP) image reconstruction algorithm, a modified LBP(MLBP) method was developed for this ERT system. By adopting an offline iteration technique and incorporating it with the LBP, the MLBP could reconstruct images of better quality than the LBP with similar image reconstruction speed. Experimental results showed that the new ERT system had the advantages of high image reconstruction speed and good image quality. It could implement realtime measurement of two phase flow.
    Characteristics of gas pressure drop in cross-flow rotating-packed bed
    2007, 58(4):  869-874. 
    Abstract ( 619 )   PDF (449KB) ( 408 )  
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    The gas phase pressure drop in the cross-flow rotating packed bed(RPB)is an important factor in its application and design. The gas phase pressure drop was investigated with air-water system.The total pressure drop was divided into four stages according to gas flow path—gas inlet pressure drop,rotating packed bed pressure drop,transformation of kinetic energy in gas collector and gas outlet pressure drop. The total pressure drop was measured and correlated with experimental values. The simulation result from the model coincide with experimental measurements. The experimental data showed that the total pressure drop of the cross-flow RPB was influenced by rotating speed,gas flow rate and liquid flow rate. The total pressure drop decreased first and then increased with increasing gas flow rate in the case of low gas flow rate and high rotating speed.In other cases the total pressure drop increased with increasing gas flow rate.The total pressure drop decreased with increasing rotating speed,and the change was obvious at a low gas flow rate.The total pressure drop increased with increasing liquid flow rate,and the change was obvious at a low rotating speed.
    Dynamic model of liquid droplets of water-in-oil emulsions with high-frequency pulsating electrical field
    2007, 58(4):  875-880. 
    Abstract ( 636 )   PDF (458KB) ( 708 )  
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    A mathematical model of the inherent frequency of liquid droplets in water-in-oil(W/O)emulsions was developed from the force balance analysis of the liquid droplets with the presence of external electrical field. The demulsification mechanism of high-frequency pulsating electrical field was proposed and it was proved theoretically that there existed an optimum frequency for the best demulsification performance. A prediction model was developed for calculating this optimum frequency. It was also shown that the inherent frequency was dependent on droplet size,surface tension,viscosity,temperature and density. The experiments of the n-octane and the white oil W/O emulsion were carried out to prove the reliability of the prediction model. The theoretical prediction of the mathematical model for optimum frequency agreed well with both the experimental results of the n-octane W/O emulsion and the modified experimental results of the white oil W/O emulsion.
    Simulation of two-phase flow field in CTST-8 with VOF method
    2007, 58(4):  881-886. 
    Abstract ( 649 )   PDF (19570KB) ( 200 )  
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    The calculated fluid dynamics (CFD) model of the two-phase flow field in the directed trapezoid spray tray(CTST-8)was established with the volume of fluid(VOF)method. The physical model was established with the software Gambit,and the grid was adapted by the gradient of velocity. Under the condition that the gas velocity in the tray hole was kept at 8. 4 m·s-1 and clear liquid height was kept at 25 mm,calculation was carried out with commercial software FLUENT 6. 1. The results showed the three-dimensional characteristics,and displayed the detailed information of the flow field in the cover such as the distribution of phase volume fraction,velocity field,and pressure field. The pressure values in the cover and the relative liquid-liftup of a single-cover acquired by the simulation were in good agreement with the experimental results. The model had a high degree of accuracy,and could be used to predict the two-phase flow field in CTST-8.
    催化、动力学与反应器
    Catalytic oxidation of dimethyl ether to downstream products(Ⅰ) Over modified HZSM-5 zeolite catalysts
    2007, 58(4):  887-891. 
    Abstract ( 626 )   PDF (468KB) ( 258 )  
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    The selective oxidation of dimethyl ether(DME)to methyl formate and other hydrocarbons over four zeolites,namely HZSM-5,Hβ,HY and Al-MCM-41,and metal(Mn,Mo,Co,Cu)modified HZSM-5 catalysts were investigated by using DME and O2 as reactant gases and helium as diluent with a mole ratio of 5∶1∶6 under a pressure of 0. 1 MPa. It was found that the modified HZSM-5 zeolite catalysts were active for the reaction in the temperature range of 275—325℃. The conversion of DME was increased to 27. 8 % at 275℃ with a methyl formate(MF)yield of 6. 9% over the Mn modified HZSM-5 zeolite. Possible reaction mechanism was discussed as well.
    Catalytic oxidation of dimethyl ether to downstream products (Ⅱ) Over V or Mn modified SnO2/MgO catalysts
    2007, 58(4):  892-896. 
    Abstract ( 634 )   PDF (1063KB) ( 342 )  
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    Selective oxidation of dimethyl ether(DME)to dimethoxyethane(DMET)and other hydrocarbons over SnO2/MgO and V or Mn modified catalysts was investigated. It was found that all the catalysts were active for the reaction in the temperature range of 275—325℃. DME conversion and the selectivity of DMET increased when adding V or Mn to the SnO2/MgO catalyst. The selectivity of DMET reached 44% at a DME conversion of 23% on VOx/SnO2/MgO catalyst,which is higher than those of SnO2/MgO or Mn modified SnO2/MgO catalysts.
    Coupling reaction of formaldehyde and methyl formate over sodium bisulfate catalyst
    2007, 58(4):  897-902. 
    Abstract ( 860 )   PDF (1022KB) ( 772 )  
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    The coupling reaction of formaldehyde (FA) and methyl formate (MF) with solid sodium bisulfate catalyst was investigated in an autoclave. The effects of reaction temperature,reactants ratio, catalyst dosage and reaction time on the yields of methyl glycolate (MG) and methyl methoxy acetate (MMAc) were examined. Under optimal reaction conditions:formaldehyde 1. 08 mol,methyl formate 1. 66 mol,sodium bisulfate 0. 24 mol, reaction temperature 160℃,reaction time 4 h,the overall yield of MG and MMAc was 42. 15%. The catalyst could be easily recovered and reused, and had very good activity and stability. The reaction process was confirmed and the performance of sodium bisulfate catalyst was also compared with other acid catalysts. The catalytic activity of sodium bisulfate catalyst was higher than others.
    Free radical seeded emulsion polymerization with participation of hydrolysis-condensation reaction(Ⅰ)Modeling
    2007, 58(4):  903-907. 
    Abstract ( 881 )   PDF (468KB) ( 368 )  
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    A new type of organic-inorganic hybrid latex was synthesized by free radical seeded emulsion (co)polymerization with the participation of hydrolysis-condensation reaction. The kinetics of these two simultaneous reactions determines the microstructure and properties of latex particles. A model of monomer partition was developed by using a partition constant. A free radical seeded emulsion polymerization model with the monomer partition was presented. On the basis of these two models and the features of hydrolysis-condensation reaction for the functional groups in various phases in the heterogeneous system, a complete kinetic model of free radical seeded emulsion polymerization with the participation of hydrolysis-condensation reaction was established. The complete model explains the principle of mass transport,characteristics of heterogeneous reaction and the interaction of free radical (co)polymerization and hydrolysis-condensation reaction in this system.
    Curing polycondensation kinetics of multi-silanol
    2007, 58(4):  908-912. 
    Abstract ( 574 )   PDF (1077KB) ( 534 )  
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    Curing process is an essential step in the preparation of silicone resin coating, in which polycondensation of multi-silanol mainly occurred in a non-solvent system. Fourier transform infrared spectroscopy (FTIR) was used to study this process. A curing polycondensation kinetic model of this process was presented and used to describe the curing polycondensation process. The parameters such as the extent of polycondensation, rate constants and activation energies were obtained for the cases with curing agents, such as 2-ethyl-4-methylimidazole, guanidine carbonate or guanidine acetate, and without curing agent. In this study, curing agents could promote the polycondensation of multi-silanol in the curing process and increase the final extent of polycondensation of the reactants at different temperatures.
    Aromatization of butylenes over nano-sized ZSM-5 zeolite
    2007, 58(4):  913-918. 
    Abstract ( 888 )   PDF (467KB) ( 306 )  
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    The aromatization of the butylenes in C4 liquefied petroleum gas (LPG) over a nano-sized ZSM-5 zeolite catalyst, denoted DLG-1, was studied at a mild temperature. Emphasis was given to the influence of feed impurities and reaction conditions,such as reaction temperature, pressure, weight hourly space velocity of LPG(WHSV LPG) on the activity and stability of the aromatization catalyst. The results showed that, both diene and alkaline nitrogen-containing compounds had negative influence on the aromatization stability of the catalyst. Comparatively, the negative influence of the alkaline nitrogen-containing compounds (mainly in the manner of strong chemisorption on the acid sites) was much stronger than that of diene. On the other hand, reaction temperature, pressure and WHSV LPG also showed significant influence on the performance of the catalyst. The optimum reaction conditions were 450℃, 2. 0 MPa and WHSV LPG 0. 83 h-1. A high coking rate of the catalyst was observed when higher temperature,higher pressure and higher WHSV LPG were used.
    Improvement of 1,3-propanediol production by recombinant formate dehydrogenase in Klebsiella pneumoniae
    2007, 58(4):  919-924. 
    Abstract ( 654 )   PDF (546KB) ( 480 )  
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    Biosynthesis of 1,3-propanediol from glycerol by Klebsiella pneumoniae was associated with the consumption of NADH, which was generated/regenerated in the oxidative branch pathway of glycerol in vivo. The availability of NADH would be critical for the final yield of 1,3-propanediol. Formate dehydrogenase gene(fdh) was cloned from Candida boidinii genome and was then transformed into Klebsiella pneumoniae YMU2 by constructed expression vector pMAL TM-p2X-fdh to generate recombinant Klebsiella pneumoniae F-1. Compared with K. pneumoniae YMU2, the yield of 1,3-propanediol and production rate of recombinant F-1 were 78. 6 g·L-1 and 1. 33 g·L-1·h-1, increased by 12. 5% and 41. 2%, respectively. The metabolic flux of strain YMU2 and recombinant F-1 was analyzed with the formation of main metabolites.
    Comparison of hydrolysis kinetics of different vegetable oils in near-critical water
    2007, 58(4):  925-929. 
    Abstract ( 653 )   PDF (1255KB) ( 497 )  
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    The kinetics of hydrolysis of olive oil,peanut oil,soybean oil,safflower oil in near-critical water was systematically determined in the temperature range from 170℃ to 240℃ and at pressure of 10 MPa. From the results,it could be seen that the vegetable oil hydrolysis in near-critical water was a typical self-catalyzed reaction. With a second-order kinetics equation,the activation energies evaluated were 41. 8 kJ·mol-1 for olive oil,37. 3 kJ·mol-1 for peanut oil,37. 7 kJ·mol-1 for soybean oil, 31. 2 kJ·mol-1 for safflower oil respectively. The activation energies of different vegetable oils had a close relationship with their iodine values. With increasing iodine value,the activation energy of vegetable oil hydrolysis in near-critical water decreased.
    分离工程
    Separation of potassium chromate by salting-out crystallization
    2007, 58(4):  930-937. 
    Abstract ( 655 )   PDF (1180KB) ( 395 )  
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    The green manufacturing process for chromium compounds, which was proposed by the Institute of Process Engineering, Chinese Academy of Sciences, has spawned a lot of interests in the chromate production industry all over the world. The separation of the intermediate product K2CrO4 is one of the bottleneck units in the green manufacturing process. This work is to seek a new approach to the separation of K2CrO4. The solubility data of K2CrO4 in the K2CrO4-KOH-H2O system were regressed and processed. The possibility of separating K2CrO4 from the K2CrO4-KOH-H2O system through salting-out crystallization with a salting-out reagent was investigated. The kinetic relationship between the maximum supersaturation and supersaturation rate during nucleation was obtained.The relationship among the concentration of the salting-out reagent, the recovery efficiency of K2CrO4 and the solution volume of the final system was also obtained. The feasibility of the separation of K2CrO4 from the K2CrO4-KOH-H2O system through salting-out crystallization with KOH as the salting-out reagent was explored.This method provides a promising approach to the highly efficient separation of K2CrO4.
    Effect of thermal oxidation of activated carbon surface on its adsorption of dibenzothiophene
    2007, 58(4):  938-943. 
    Abstract ( 642 )   PDF (1910KB) ( 474 )  
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    The effect of thermal oxidation of activated carbon surface on its adsorption of dibenzothiophene was investigated. The surface oxidation of the activated carbon was carried out by heating at different temperatures in the air. Static equilibrium adsorption experiments were conducted to determine the isotherms of dibenzothiophene on the original and oxidized activated carbons. The type and concentration of oxygen functional groups on the activated carbons were determined by diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and Boehm titration respectively. The influence of the surface chemistry of the activated carbons on the adsorption capacity for dibenzothiophene was discussed. The results showed that the acid oxygen-containing groups of the activated carbon surfaces played an important role in enhancing the adsorption of dibenzothiophene. It was shown that the use of thermal oxidation could increase the concentration of oxygen-containing groups on the activated carbon surfaces, and consequently increase its adsorption capacity for dibenzothiophene. It was also found that the higher the oxidation temperature, the more the oxygen-containing groups on activated carbon surface, which enhanced the adsorption capacity of dibenzothiophene on its surfaces. The Langmuir equation was shown to fit well these isotherms.
    Mechanism of SO2 ultrasonic desorption from citrate solution
    2007, 58(4):  944-950. 
    Abstract ( 603 )   PDF (503KB) ( 221 )  
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    The mechanism of ultrasonic desorption of sulfur dioxide from citrate solution was investigated mathematically based on the characteristics of ultrasonic wave. The factors influencing ultrasonic desorption of sulfur dioxide were discussed theoretically and the mechanism was verified by experiments. The results showed that it was feasible to remove sulfur dioxide from citrate solution with ultrasonic field in theory and on the laboratory scale. There was a greater effect of ultrasonic frequency and gas content in solution as well as solution properties on sulfur dioxide desorption. The sulfur dioxide desorption efficiency could be improved rapidly by introducing cavitation bubble nucleus, such as adding trace argon gas. A lower ultrasonic frequency might result in higher desorption efficiency. Giving a proper stirring to the solution, the SO2 desorption efficiency enhancement could be increased by 20%—30% over the control value. The higher the initial concentration of sulfur dioxide in citrate , the higher the desorption efficiency.
    过程系统工程
    Nonlinear statistical process monitoring and fault diagnosis based on kernel Fisher discriminant analysis
    2007, 58(4):  951-956. 
    Abstract ( 687 )   PDF (470KB) ( 233 )  
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    The data collected from the chemical process reflect the process change and the state of the system,and the data-driven statistical method can efficiently monitor the process. However, for some complicated cases in industrial chemical and biological processes,the conventional linear statistical methods have poor ability of monitoring those processes, because the correlation between the process variables show particularly nonlinear characteristics. In this paper, a nonlinear statistical process monitoring and fault diagnosis method based on kernel Fisher discriminant analysis (KFDA)was proposed. The basic idea of KFDA is to first map the original space into a high dimension feature space via nonlinear mapping and then extract the optimal Fisher feature vector and discriminant vector to achieve process monitoring and fault diagnosis. The proposed method can effectively capture the nonlinear relationship in process variables. It was evaluated by the application to the fluid catalytic cracking unit (FCCU) model and its effectiveness was demonstrated.
    Wet gas correlation for horizontal mounted Venturi based on neural network
    2007, 58(4):  957-962. 
    Abstract ( 757 )   PDF (467KB) ( 402 )  
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    Metering the gas flow-rate in a wet gas flow by using a Venturi meter requires a correction of the meter over-reading to account for the liquids effect. This paper lists eight correlations and analyzes their characteristics and limitations. A new correlation was proposed based on the separated flow theory and neural network, and was verified by experiment.The error of this correlation was within 5%. Finally the performance of the new correlation and traditional correlations was compared with new independent data from the Tianjin University Wet Gas Loop and NEL report. The results showed that new correlation could predict wet gas Venturi meter over reading accurately with the conditions of pressure from 0. 15 MPa to 6. 0 MPa, diameter ratio β from 0. 4 to 0. 75, gas densiometric Froude number from 0. 5 to 5. 5, the modified Lockhart-Maretinelli parameter varied from 0. 002 to 0. 3, gas to total mass flowrate ratio from 0. 5 to 0. 99.
    Optimization for operating conditions for synthetic ammonia system in medium and small scale nitrogen fertilizer plant
    2007, 58(4):  963-969. 
    Abstract ( 690 )   PDF (513KB) ( 325 )  
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    Based on the condition of equipment and technical level of medium and small scale nitrogen fertilizer plants, increasing the net value of ammonia was considered as the goal of optimization study. The whole optimal problem was decomposed. Then the generalized predictive control (GPC) of the temperature of ammonia reactor hot spot for the stability of online-optimization adjustment, and boundary control for the single-direction factors were realized. Adaptive on-line optimization of operation conditions was successfully accomplished. The operation performance of ammonia reactor was improved, the net value of ammonia was increased by 0. 4%,and system pressure dropped by 1. 2 MPa.
    Factor analysis and its application to process monitoring
    2007, 58(4):  970-974. 
    Abstract ( 653 )   PDF (437KB) ( 338 )  
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    Principal component analysis(PCA)has already been widely applied to process monitoring. However,PCA model is only a special case of probabilistic principal component analysis(PPCA)model and the latter itself is a special case of factor analysis(FA)model. Compared with PCA and PPCA models,FA model has less restriction and can do better to reveal essential features of the data.A FA model was built by the expectation maximum(EM)algorithm,and was introduced into industrial process monitoring. Monitoring indices based on FA were proposed to monitor the process factors space and residual space,respectively.A method was presented to select the number of factors by means of the property that the explanation ratio for the process information was convergent with the increasing number of factors. A contrastive study with PCA and PPCA was carried out in the Tennessee Eastman(TE)process,which showed the FA-based method’s superiority either in missed detection rate or in the sensitivity for fault.
    Spectroscopic simulation of 13C nuclear magnetic resonance of diterpenoids of isodon species
    2007, 58(4):  975-979. 
    Abstract ( 673 )   PDF (418KB) ( 212 )  
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    Atomic electronegativity interaction vector (AEIV) and atomic hybridization state index (AHSI) were used for establishing the quantitative structure-spectroscopy relationship (QSSR) model of 13C NMR chemical shifts of isodon diterpenoid compounds. Multiple linear regression (MLR) and computational neural network (CNN) were used to create the models, and the estimation stability and generalization ability of the models were strictly analyzed by both internal and external validations. The established MLR and CNN models were correlated with experimental values and the correlation coefficients of model estimation, leave-one-out (LOO) cross-validation (CV), and predicted values of external samples were R cum=0. 9724, R CV=0. 9723, Q ext=0. 9738(MLR); R cum=0. 9957, Q ext=0. 9956(CNN), respectively. The results indicated that CNN gave significantly better prediction of 13C NMR chemical shifts for isodon diterpenoids than MLR. Satisfactory results showed that AEIV and AHSI were obviously good for modeling 13C NMR chemical shifts of isodon diterpenoid compounds.
    生物化学工程、制药、食品和天然产物加工
    Production of N-carbamoyl-D-phenylalanine by hydantoinase method coupled with in situ product removal
    2007, 58(4):  980-986. 
    Abstract ( 927 )   PDF (514KB) ( 354 )  
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    The purified D-hydantoinase was immobilized on EAH sepharose 4B via the carbodiimide method with a yield of enzyme activity up to 79. 44%. The immobilized hydantoinase showed remarkable stability at 4℃.An integrated process of N-carbamoyl-D-phenylalanine (N-D-Phe) synthesis from D,L-5-benzylhydantoin(D,L-BH) catalyzed by immobilized D-hydantoinase coupled with an ion-exchange unit for in situ product removal(ISPR) was established. The variation of pH and conversion in the fixed-bed reactor with or without ISPR was compared at different temperatures, initial substrate concentrations and volumes of adsorbent. Within 24 h, the pH value in the reactor with ISPR could be kept at the alkaline range, which was beneficial to the enzymatic conversion and racemization of L-5-benzyl hydantoinase. This led to a higher overall conversion of 62. 725% under optimal operation conditions, an increase of 89. 3% compared with the fixed-bed reactor without ISPR.
    能源和环境工程
    Aggregation mechanism of PM 10 from coal combustion in uniform magnetic field
    2007, 58(4):  987-993. 
    Abstract ( 629 )   PDF (1102KB) ( 392 )  
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    A binary collision-aggregation model of inhalable particles PM 10 from coal combustion in uniform magnetic field was developed for evaluating aggregation coefficient between two particles. The removal rate of fly ash particles from the boiler firing Datong bituminous coal was simulated by solving the general dynamic equation with the obtained aggregation coefficient. A comparison between numerical simulation results and experimental data was made. The simulation results indicated that the aggregation coefficient increased with particle size. The bigger the size difference between two particles, the stronger the action of gravity on aggregation,while the bigger the particle size, the weaker the action of Brownian force. With an increase in magnetic flux density, the particle removal rate increased at first, then approached its maximum, which was similar with the relationship between aggregation coefficient and magnetic flux density. With increasing particle residence time in the magnetic field or increasing mass concentration, the removal rate increased, and reached 44% while mass concentration and residence time was respectively 40 g·m-3 and 1. 2 s. Numerical simulation results were in good agreement with the experimental data.
    Pyrolysis characteristics of Peicheng natural coke
    2007, 58(4):  994-100. 
    Abstract ( 652 )   PDF (1849KB) ( 330 )  
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    Natural coke is a kind of fossil fuel with heating value of about 18—28 MJ·kg-1. There are abundant natural coke reserves in the world, but at present it is abandoned and research and development are needed for its utilization. Thermogravimetric analysis(TG) and Fourier-transform infrared(FT-IR) coupled technology was used to investigate the pyrolysis characteristics of natural coke (Peicheng mine, Xuzhou, Jiangsu Province, China) and bituminous coal (Hanqiao mine, Xuzhou, Jiangsu Province, China) in this paper. The pyrolysis products were analyzed with the VECTOR 22 infrared analyzer. The effects of heating rate, final pyrolysis temperature, particle diameter, and operating pressure on the pyrolysis process of natural coke were examined with the Thermax 500 pressurized thermogravimetry. The results showed that different from the pyrolysis of coal, including three stages—drying, semi-char forming and degasification,the pyrolysis process of natural coke could be divided into two different stages of degasification. With the increase of heating rate, the TG curve shifted to the high temperature area. The heating rate had almost no effect on the ultimate release of volatile matter. Final pyrolysis temperature had a strong impact on the ultimate release of volatile matter. The higher the final pyrolysis temperature, the more the ultimate release of volatile matter. SEM pictures showed that natural coke pyrolyzed at a higher temperature had a better porous structure, which was beneficial to the release of volatile matter and had a better reduction activity. Decrease in particle size led to more release of volatile matter. Pressure has less effect on pyrolysis at a lower temperature, while its effect became stronger when the temperature was higher than a given value.
    Streamer plasma induced ammonia flue gas desulfurization
    2007, 58(4):  1001-1006. 
    Abstract ( 972 )   PDF (989KB) ( 483 )  
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    A streamer plasma induced flue gas desulfurization (FGD) technique is reported. An AC/DC superposition electric source generated a spatially well distributed plasma in an industrial scale reactor. Instead of the traditional dry technique,a partitioned wet reactor system was adopted. A streamer plasma oxidation technique was developed to solve the problem in the oxidation of concentrated ammonium sulfite solution. The ammonia slip was well controlled. The liquid byproduct was dried up to form solid ammonium sulfate. Pilot test under the conditions of an initial concentration of 500—1000 μl·L-1 of SO2 demonstrated the desulfurization efficiency greater than 95%. The oxidation efficiency through one cycle reached 50%—70%, the energy consumption in the reactor was less than 3. 5 W·h·m-3, and the ammonia slip was less than 5 μl·L-1. The byproduct was ammonium fertilizer. Under the conditions of using high concentration OH radicals excited with AC/DC streamer plasmas, an oxidation rate with practical value can be achieved at a sulfite concentration of over 3 mol·L-1.
    Atomized particle size spatial distribution of flue gas wet desulfurization swirl nozzle
    2007, 58(4):  1007-1012. 
    Abstract ( 858 )   PDF (679KB) ( 389 )  
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    The swirl nozzle aperture used in flue gas wet desulfurization is usually large. Its atomization particle size has a specific rule of distribution in space,which is different from other atomization applications. This rule directly affects the design of this kind of swirl nozzle and the atomization system in a desulfurization tower. Malvern laser particle size analyzer was used to study atomized particle size spatial distribution of the swirl nozzle. In order to analyze,the spatial distribution, the average particle size,particle size relative deviation and average span of single flow particle size distribution were defined. The analysis result indicated that the atomization particle size and atomization particle size distribution of the large aperture swirl nozzle showed specific rules with different flow rates and outlet positions. At all flow rates, particle size relative deviation was the largest,Sauter average particle size fluctuated in a large range,span of particle size distribution and average span of particle size distribution was the smallest at 90° angle with incoming stream. This result showed that dispersion degree was small and atomization uniformity was good at 90° angle with incoming stream. The average particle size was in power function relation with pressure and the average span of single flow particle size distribution was linear with pressure.
    Removal of H2S by microbe cultures and properties of by-product sulfur
    2007, 58(4):  1013-1017. 
    Abstract ( 1050 )   PDF (721KB) ( 250 )  
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    The removal of hydrogen sulfide was carried out under optimized conditions,and the absorbent was bacterial cultures of Thiobacillus ferrooxidans or acid solution of Fe2(SO4)3. In order to provide valuable reference for technical design of sulfur recovery in natural gas industry,the properties of by-product sulfur from the bio-oxidation of hydrogen sulfide were investigated. The results indicated that the efficiency of removing hydrogen sulfide by bacterial cultures was over 90% after reacting for 45 min,and higher than that by acid solution of Fe2(SO4)3. The by-product sulfur was insoluble in water,partially soluble in ethanol,and completely soluble in carbon disulfide and carbon tetrachloride. It had a specific density of 1. 90 g·cm-3 and melting point of 121℃. The shape of the particles was irregular globular, in agglomeration. The particle mean size was 5. 09 μm after dispersion. The by-product sulfur was hydrophilic,and better than hydrophobic sublimed sulfur, or the by-product sulfur from hydrogen sulfide removal by acid solution of Fe2 (SO4)3.The settling velocity of sulfur particles was 0. 125×10-2m·s-1 as shown in an intermittent sedimentation test.
    Biofiltration elimination of malodor from oil refining wastewater treatment plant
    2007, 58(4):  1018-1024. 
    Abstract ( 749 )   PDF (1580KB) ( 342 )  
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    In order to investigate the feasibility of biofiltration elimination of malodor from oil refining wastewater treatment plant,two biofilters in series packed with a mixture of compost, bark and lava,which each consisted of three segments were used in this study. The removal of main contaminants, the influence of shock load and the variation of nutrients in the packing material were investigated. At empty bed residence time (EBRT) of 66 s, inlet concentration of non-methane hydrocarbon (NMHC), benzene, toluene and xylene in the range of 5. 1—1081. 8 mg·m-3, 0. 1—328. 8 mg·m-3, 0. 2—91. 8 mg·m-3 and 0. 2—48. 2 mg·m-3 respectively, the respective average removal efficiency values were 79. 7%, 98. 9%, 98. 8% and 99. 6%. The biofilter had favorable ability against shock load due to sudden variation of concentration. The leachate from the biofilter was circulated back to the packing bed of biofilter. The malodor from oil refining wastewater treatment plant could be successfully eliminated in this biofilter.
    Simulation of remediation of multiple organic contaminants system by bioventing
    2007, 58(4):  1025-1031. 
    Abstract ( 580 )   PDF (513KB) ( 276 )  
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    Two air injection styles (periodic injection and continuous injection), single well or multiple wells, and biodegradation were simulated during bioventing (BV) process for multiple contaminants system. The effect of operating conditions on remediation efficiency was investigated.The results showed that similar removal efficiencies were obtained by using periodic air injection and continuous air injection. However, operating cost was reduced when periodic injection was chosen. In the case of small contamination zone, single well was enough to remove contaminants. When the contamination zone was larger than the effective radius of a single well, multiple wells should be used. In the earlier stage of the remediation process,a larger air flow rate was recommended to remove volatile organic contaminants.In the later stage of the remediation process,a smaller air flow rate was suitable for stimulating biodegradation in order to remove residual organic contaminants in soil.
    Flocculating process of black liquor from NH4OH-KOH pulping of rice straw in alkaline condition
    2007, 58(4):  1032-1036. 
    Abstract ( 623 )   PDF (541KB) ( 536 )  
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    A flocculating technique was studied in which aluminium polychloride and polyacrylamide were used for flocculating treatment of black liquor from NH4OH-KOH pulping of rice straw in alkaline condition. The effects of flocculating conditions, such as dosage of 10% aluminium polychloride, dosage of 0. 1% polyacrylamide, reaction temperature and pH of black liquor on flocculation process were studied systematically by experiment to obtain suitable technological conditions. The results indicated that the rate of COD removal was 68% and the rate of lignin removal was 92% under the flocculating conditions. It was confirmed by IR and other analytic apparatus that 23. 73% N(dry basis), 6. 24% K(dry basis) and lots of lignin were present in the flocculation residue, so potentially it is a good solid fertilizer. The pH of supernatant was 9. 20 and the content of deleterious impurities in supernatant was low, and it could be recycled as cooking liquor. It helps to realize clean production of NH4OH-KOH pulping of rice straw.
    Effect of ultrasonic power on waste activated sludge disintegration
    2007, 58(4):  1037-1041. 
    Abstract ( 675 )   PDF (3146KB) ( 500 )  
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    Ultrasonic disintegration of waste activated sludge is a new technology to accelerate anaerobic digestion of waste activated sludge. Ultrasonic power affects the disintegration degree of waste activated sludge and energy consumption directly. To optimize the action of ultrasonic power,multi-power experiments of ultrasonic horn and ultrasonic bath reactors were carried out. It was concluded that the mode of low power with long treatment time favored waste activated sludge disintegration. However,its reaction speed was too low. Low power combination could accelerate the reaction speed. Low power combination in triple-power mode was more favorable for waste activated sludge disintegration among the combinations tested.
    Short-cut removal of nitrogen from mature municipal landfill leachate at ambient temperature
    2007, 58(4):  1042-1047. 
    Abstract ( 575 )   PDF (1165KB) ( 401 )  
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    Both “two-stage upflow anaerobic sludge blanket(UASB)+anoxic/oxic (A/O)” system and “one stage UASB+A/O” system were successively introduced to treat a leachate containing relatively low concentration of organics and high concentration of ammonia from a mature landfill site. The “two-stage UASB+A/O” system was used firstly. The denitrification of the return effluent was carried out in the first stage UASB (UASB1). The nitrification took place in the A/O reactor. The results showed that most biodegradable organic matter was removed in the UASB1, so “one stage UASB+A/O” system was used in the second phase experiment. The NH+4-N loading rate of A/O reactor and operation temperature were 0. 28—0. 60 kg NH+4-N·m-3·d-1 and 17—29℃, respectively. The COD removal efficiency and the final effluent COD were 50%—70%, 1000—1500 mg·L-1, respectively. Short-cut nitrification with 90%—99% of nitrite accumulation efficiency took place in the system. The NH+4-N removal efficiency varied between 90% and 100%. When NH+4-N loading rate was less than 0. 45 kg NH+4-N·m-3·d-1, the NH+4-N removal efficiency was more than 98%, and effluent NH+4-N was below 15 mg·L-1. When the ratio of the feed COD to feed NH+4-N concentrations was 2—3, the total inorganic nitrogen (TIN) removal efficiency was 70%—80%. The sludge samples from A/O reactor were analyzed by using fluoresence in situ hybridization(FISH). The FISH analysis showed that ammonia oxidation bacteria (AOB) were 4% of the eubacteria, meanwhile nitrite oxidation bacteria (NOB) were less than 0. 2% of the eubacteria.
    Preparation and electrochemical properties of LiNi0.8Co0.2O2 cathode material by microwave coprecipitation method
    2007, 58(4):  1048-1052. 
    Abstract ( 686 )   PDF (850KB) ( 340 )  
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    The microwave coprecipitation method was used to synthesize α-Ni0.8Co0.2(OH)2 precursor for preparing LiNi0.8Co0.2O2 cathode material. The precursor α-Ni0 8Co0.2(OH)2 was mixed with LiOH·H2O and then calcined in O2 for 10 h at different temperatures(700℃,800℃,900℃).XRD,SEM analyses and electrochemical tests were used to study the physical and electrochemical performance of the cathode material. With increasing calcination temperature,the characteristic peaks of the cathode materials became stronger and sharper,corresponding to a perfect crystalization. The results of electrochemical tests indicate that the sample LiNi0.8Co0.2O2(900℃)showed excellent electrochemical properties,with an initial discharge capacity of 189. 1 mA·h·g-1 and an initial discharge efficiency of 92. 5%. After 30 cycles,the discharge capacity was still 148 mA·h·g-1,showing good cyclic stability.
    材料科学与工程
    Friction and wear properties of PTFE composites under different lubrication conditions
    2007, 58(4):  1053-1058. 
    Abstract ( 865 )   PDF (2387KB) ( 515 )  
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    The friction and wear behavior of PTFE composites filled with carbon fiber (CF) and glass fiber (GF) under alkali, water, oil-lubricated and dry lubrication conditions were investigated. The wear mechanisms of the composites under different lubrication conditions were discussed based on the examinations of the worn ring and counterpart ring surfaces by means of SEM. It was found that the relationship of the friction coefficients and wear rate of the CF/PTFE and GF/PTFE composites sliding under different conditions was μ dry>μ water or oil>μ alkali and W water>W dry>W alkali or oil. The transfer onto the counterpart rings was significantly hindered by water, alkali and oil. Owing to the good stability, cooling and boundary lubrication capacity of alkali and oil-lubricated conditions, all PTFE composites filled with CF and GF showed much lower friction coefficients and wear rate. However, the bonding property of the interface was decreased by water. Abrasion and furrow were the main cause of the wear,leading to increasing wear rate of PTFE composites under water-lubricates condition.
    Emulsion graft copolymerization of cellulose(Ⅰ)Interaction between cellulose and initiator
    2007, 58(4):  1059-1063. 
    Abstract ( 765 )   PDF (3667KB) ( 1150 )  
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    The interactions between hydroxypropyl methylcellulose (HPMC) and potassium persulfate (KPS) during the emulsion graft copolymerization process in aqueous system were investigated. Their interactions were proved by specific viscosity measurements, FT-IR and UV methods. The results showed that the specific viscosity of HPMC solution decreased significantly with increasing time of the interaction time, and KPS could lead to the oxidation degradation of the main chain of HPMC macromolecules. The cellulose macroradicals could be formed in the middle step of oxidization degradation reaction. On the other hand,the decomposition rate of KPS followed first-order kinetics with respect to the concentration of KPS in the presence of HPMC, which was just the same as in pure water. However, the decomposition rate constant of KPS in the presence of HPMC was 7 times higher than that in water at 60℃, resulting in lowering of the half-life and higher decomposition rate of KPS.
    Feature points based registration for composite serial sections
    2007, 58(4):  1064-1068. 
    Abstract ( 615 )   PDF (640KB) ( 232 )  
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    The registration of serial images is a crucial step in the three-dimension reconstruction of composite materials to obtain the information concerning three-dimension microstructural geometry. Based on the obtainment of grain contours by using wavelet edge detector and the level set method,high curvature points of the plane curve were calculated as the prospective points. An adaptive method was adopted for the polygonal approximation of the digitized raw contours. Instead of setting a fixed length of the support region in advance,the new method computed a suitable length of the support region for each point to find the best approximated curvature. The dominant points were identified as the points with local maximum curvatures.In the second stage,a novel robust point registration algorithm was adopted by maximization of entropy and mutual information. A new energy function,including the joint probability matrix and spatial mapping matrix,was derived. By minimizing the energy function,the estimation of spatial mapping parameters and joint probability matrix were estimated.