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Table of Content
25 October 2005, Volume 56 Issue 10
    综述与专论

    Progress and perspective in application of bioinformatics to metabolomics and metabonomics

    WU Xiaojian; LI Jing;LIU Changxiao;YUAN Yingjin

    2005, 56(10):  1819-1825. 
    Abstract ( 648 )   PDF (626KB) ( 653 )  
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    One of the challenges of contemporary bio-informatics is how to utilize the huge volume of data and information from high throughput metabolomics and metabonomics studies for reconstructing biochemical network, predicting cell phenotype, optimizing bio-process and evaluating drug safety with novel methods. This paper briefly reviews major methods including supervised as well as unsupervised methods and highlights key issues of bio-informatics analysis within metabolomics and metabolomics research such as extracting and pre-processing data, establishing data standards and integrating with relevant research fields such as genomics, transcriptomics and proteomics. Several important applications in plant, microorganism and mammalian systems are also included and the paper ends up with a prospect of the new ‘omics’.

    Progress of biological nitrogen removal by anaerobic ammonium oxidation

    YAO Junqin;ZHOU Shaoqi

    2005, 56(10):  1826-1831. 
    Abstract ( 629 )   PDF (470KB) ( 650 )  
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    Anaerobic ammonium oxidation(ANAMMOX) was first discovered in a denitrifying fluidized bed reactor by scholars in the Netherlands and proved to be an innovative biological nitrogen removal method.ANAMMOX can remove ammonia and nitrite simultaneously at a low cost; therefore, more and more research has been focused on this field in the recent ten years. In this paper, the progress of investigation on ANAMMOX is reviewed.The mechanisms of biological reaction of ANAMMOX process and basic physiological properties of ANAMMOX microorganisms are discussed, and the start-up with different bioreactors is introduced. Furthermore, ANAMMOX technologies, such as OLAND, SHARON-ANAMMOX and CANON, are also briefly discussed.In addition, the primary results by the authors are briefly reported.A new ANAMMOX process with UASB-biofilm bioreactor was developed by using nitrifying bacteria from activated sludge treated with landfill leachate as the start-up acclimation microorganisms, and a short-term start-up period (56 days) was achieved successfully.
    Estimation of refrigerant mixture phase equilibrium with UNIFAC model
    WU Xianzhong, CUI Xiaoyu, LI Meiling
    2005, 56(10):  1832-1836. 
    Abstract ( 1009 )   PDF (417KB) ( 197 )  
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    In this paper, the vapor-liquid phase equilibrium thermodynamic properties of HCFCs refrigerant mixtures were estimated by using the UNIFAC model of group contribution.According to experimental data in literature, the interaction coefficients of the three main groups were obtained by mathematical fitting. Based on the interaction coefficients, the vapor-liquid phase equilibrium properties of the new refrigerant mixtures R32/R227ea, R227ea/R134a , R152a/R227ea and the ternary refrigerant mixture R32/R125/R134a were obtained and agreed well with the experimental data.The paper’s work provides a generalized method to predict new HFCs refrigerant mixture.The result can meet the demand of engineering designs which use new refrigerant mixtures as working fluids.
    Model for distribution of heated falling liquid film on vertical solid planar surface
    ZHANG Feng, GENG Jiao, WANG Baorong, ZHANG Zhibing
    2005, 56(10):  1837-1842. 
    Abstract ( 887 )   PDF (544KB) ( 376 )  
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    A liquid film flowing down along a heated solid plate may be remarkably influenced by Marangoni effect. This effect is usually generated by the existence of surface tension gradient that is induced by variations of surface temperature in the transverse direction of the film(due to the flow rate difference between film center and rim), causing notable contraction of the film. The shrinkage effect interacts with the liquid wetting ability and the expansion effect induced by the mass flow, resulting in distinct bulgy structure in the cross-section of the film rim. A mathematical model describing the characteristics of the heated film was derived by taking into account the effect of surface tension gradient on the film flow, as well as the force balance and mass conservation in the bulgy structure. The model indicated that low surface temperature,small liquid-solid contact angle and large mass flux could benefit preferential extension of the liquid film on a solid plate. The comparison of the model with the experimental data, showed that the model could satisfactorily describe the flow characteristics of a falling films on a heated plate. It is expected that the model can be used as a theoretical basis for optimal design and operation of falling film process and equipments.
    传递现象

    Mass transfer and reaction kinetics of NO absorption with aqueous ferrous cysteine solution in double-stirred cell

    LI Wei;WU Chengzhi;MA Biyao;SHI Yao

    2005, 56(10):  1843-1848. 
    Abstract ( 652 )   PDF (458KB) ( 225 )  
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    The mass transfer and reaction kinetics of the absorption of NO with aqueous ferrous cysteine solutions were studied in a double-stirred cell.The result indicated that the NO absorption with Fe(Ⅱ)(CyS)2 was a fast pseudo-first-order reaction.The second-order rate constant was determined from experimental results and found to be 1.18×105m3•mol-1•s-1 at pH 8.0 and 323 K.Three kinds of theoretical models were used in this mass transfer with chemical reaction process, and the same expression of enhancement factors was found.A comparison was made between the experimental enhancement factor and the data calculated from the models.The maximum relative deviation was less than 13%, which was reasonable in the research of gas-liquid reaction.

    Single-phase flow and heat transfer in micro-channels

    ZHOU Jijun;SHEN Sheng;XU Jinliang;CHEN Yong

    2005, 56(10):  1849-1855. 
    Abstract ( 718 )   PDF (997KB) ( 549 )  
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    Experiments on friction factor and heat transfer performances were conducted in micro-channels with deionized water as working fluid.It was found that the friction factor and heat transfer characteristics in micro-channels deviated from theoretical predictions for conventional channels.The measured fRe values was higher than classical theory prediction and increased with increasing Reynolds number, while heat transfer coefficient was lower than the prediction.The influence of surface roughness of channel wall,which was the possible reason for the deviation was discussed.It was also found that for the same thermal resistance, higher inlet temperature and heat flux were able to decrease pressure drop.The friction correlation for the lamina flow,was proposed on the basis of experimental data.

    Modified expression of segregation index for iodide-iodate reaction system

    CHU Guangwen;SONG Yunhua;CHEN Jianming;YANG Haijian;CHEN Han;CHEN Jianfeng

    2005, 56(10):  1856-1859. 
    Abstract ( 595 )   PDF (361KB) ( 500 )  
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    During the preparation of the iodide-iodate solution I- was oxidized,which caused large deviation of calculated segregation index from experimental value.In this paper, the concentrations of I-3,I- and I2 in as-prepared solution were determined through concentration analysis of I-3 by spectrophotometer, and then the oxidized amount of I- was calculated.A modified expression of segregation index for iodide-iodate reaction system was deduced and verified by experiments, indicating that the deviation between experimental results and the modified expression was within ±15%.
    Adsorption performance of composite adsorbent for adsorption refrigeration
    CUI Qun, CHEN Haijun, ZHU Yuezhao, YAO Huqing
    2005, 56(10):  1860-1864. 
    Abstract ( 743 )   PDF (501KB) ( 259 )  
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    Adsorption performance of adsorbents for the adsorption cooling cycle was discussed. Adsorption isotherms and adsorption rate of water or ethanol on composite adsorbents prepared by the authors (named M4-0132, M1-0001, M1-9906 and M2-0003 respectively), were tested. The results of fitting to the micro-pore filling theory equation and calculation of characteristic adsorption work based on these pairs were presented. The results showed that the amount of water adsorbed by composite adsorbents was as high as 2 times that by silica gel and 2.5 times that by 13X molecular sieve, respectively, and characteristic adsorption work calculated was 2.55~4.78 kJ•mol-1, only 12%~29% of that on 13X molecular sieve. The values of adsorption rate of water on composite adsorbents were higher than that on silica gel. Analysis for ethanol adsorption on composite adsorbent, M1-0001, showed occurrence of capillary condensation, which resulted in a considerably higher ethanol uptake than on activated carbon at higher relative vapor pressure. The characteristic adsorption work of ethanol on composite sorbents was 2.55~4.78 kJ•mol-1, merely 10%~20% of that on activated carbon. Based on comprehensive estimate of adsorption properties, including adsorption loading, characteristic adsorption work and adsorption rate etc., M4-0132 and M1-0001 composite adsorbents were more preferred for the adsorption cooling process, and the preferable type of isotherm for adsorption cooling cycle appeared to be the Ⅴ type of Brunauer classification.
    Condensation heat transfer of R22 outside horizontal doubly-enhanced tubes
    ZHANG Dingcai, LIU Qibin, TAO Wenquan, HE Yaling
    2005, 56(10):  1865-1868. 
    Abstract ( 646 )   PDF (717KB) ( 294 )  
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    An experimental study on R22 film condensation on single horizontal tubes(one smooth tube and two doubly enhanced ones) was conducted at the saturation temperatures of 32℃, 35℃ and 38℃ respectively. A modified Wilson plot was used to obtain the water-side and vapor-side heat transfer coefficients. The results indicated that the experimental condensation heat transfer coefficients agreed with the Nusselt theory with ±10%. The water side heat transfer coefficients of tube No.1 and tube No.2 were 2.78 and 2.99 times of that of smooth tube, respectively. At the same heat flux the condensation heat transfer coefficients of tube No.1 and tube No.2 were 8.2—18.0 times and 8.1—12.4 times of the smooth tube, respectively. Thermal resistance analysis showed that the relative percentage of vapor-side thermal resistance increased with water velocity. When the thermal resistance values of the two sides were equal, the water velocity of tube No.1 was 1.25 m•s-1(Re=2.41×104) and that of No.2 was 0.82 m•s-1(Re=1.54×104).For all cases, the wall thermal resistance was less than 4 percentage. The reasons accounting for the superiority of tube No.1 were analyzed.
    Particle rotation characteristics in CFB riser
    LUO Zhongyang, WU Xuecheng, WANG Qinhui, GAO Qiong, FANG Mengxiang, CEN Kefa
    2005, 56(10):  1869-1874. 
    Abstract ( 699 )   PDF (1279KB) ( 506 )  
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    By using an advanced measurement system composed of a high-speed digital video camera and a high-power laser sheet, an experimental research was carried out on the particle rotation characteristics in a cold Circulating Fluidized Bed (CFB) riser with square cross-sectional area of 200 mm×200 mm and height of 4 m.Particle movement images were analyzed with Matlab, PhotoShop and ACDSee software, captured at 13 measurement points in a quarter of a cross-section in the upper dilute phase area of the CFB riser.Particle rotation speed was observed and checked by the dual-frequency method. The results showed that the particle rotated when moving along the riser in gas-solid two-phase flow of the CFB riser, and the average particle rotational speed in the wall area was higher than that in the center area in the testing cross-section. Those particles, with either relatively smaller diameter or higher radial component of velocity,were inclined to have a higher rotational speed. The average rotational velocity of irregular particles was obviously higher than that of regular ones.Average particle rotational velocity in the CFB riser was 300 r•s-1 and maximum rotational velocity was 2000r•s-1 at superficial gas velocity Vg=5 m•s-1,recycling solids mass flux Gs=1.5 kg•m-2•s-1 and particle average diameter dp=0.5 mm.
    Soft measurement method of phase volume fraction for oil/water two-phase flow
    ZHAO Xin, JIN Ningde, LI Weibo
    2005, 56(10):  1875-1879. 
    Abstract ( 680 )   PDF (1068KB) ( 281 )  
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    For the conductance fluctuating signals measured from oil/water two-phase upward flow in a vertical pipe,11 feature selections reflecting flow characteristics of oil/water two phase flow were extracted.The feature selections in frequency domain were derived by using the linear prediction method of speech signal processing and the feature selections in time domain were derived by the time series statistical analysis.All extracted features were taken as the input of artificial neural network, at the total flow rate ranging from 10 m3•d-1 to 60 m3•d-1 and water cut from 51% to 91%, the prediction model of artificial neural network based on the Levenbery-Marquardt algorithm was used and good water cut prediction results of oil/water two-phase flow were obtained.This study provided a new way to measure the phase volume fraction of two phase flow by soft sensor.
    Comparison of bubble behavior between single orifice and porous spargers air-water bubble columns
    LIANG Bin, HU Qiang, ZHOU Hui, ZHANG Quanzhong, SHEN Wei
    2005, 56(10):  1880-1886. 
    Abstract ( 889 )   PDF (1889KB) ( 275 )  
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    Bubble dispersion greatly relies on spargers. Single orifice and porous spargers were tested inside a bubble column under a low gas throughput to study their influences on gas dispersion and gas-liquid interface area. A PBE model without considering the effect of bubble coalescence was developed to describe axial bubble distribution. Both simulation and experimental results showed that bubbles broke up much faster than coalesced under low gas velocity. For a single orifice sparger, breakage was a dominant feature for bubbles after they left the orifice. Initial bubbles formed over the orifice were mostly larger than the largest stable bubble. They broke up quickly and their sizes were reduced below the maximum diameter ds of stable bubbles. In contrast, a porous sparger produced a large amount of initial bubbles smaller than the largest stable bubble. The bubbles possessed smaller size and narrower distribution compared with the bubbles obtained by single orifice spargers. With the porous sparger, gas-liquid surface area was increased by 5—6 times even though the gas holdup changed insignificantly. High mass transfer area could be obtained by injecting more small initial bubbles with diameters under ds.
    催化、动力学与反应器

    Preparation and catalytic oxidation activity of Pr2-xSrxCoOλ with K2NiF4

    ZHONG Hua;ZENG Xirui;LUO Laitao

    2005, 56(10):  1887-1891. 
    Abstract ( 612 )   PDF (572KB) ( 172 )  
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    The mixed oxides Pr2-xSrxCoOλ(0.2≤x≤1.0) with K2NiF4 structure were synthesized by the polyglycol gel method.The composition and structure of the catalysts were characterized by means of XRD,TPD,TPR,XPS,and chemical analysis.The catalytic performance for CO and C3H8 oxidation was investigated.The results showed that the mixed oxides displayed K2NiF4 structure.Other phases were found when x=0.2 and x=1.0 and the mixed oxide was single A2BO4 when 0.2<x<1.0.With the increase of x, average crystalline size, unit cell volume and lattice parameters of Pr2-xSrxCoOλ catalysts decreased gradually, however, the concentration of oxygen vacancy, the desorption amount of lattice oxygen, the amount of Co3+, and lattice distortion increased gradually.There were only the desorption peak approaching BE (529 eV) in the O1s curves of Pr2-xSrxCoOλ catalysts when x=0.2 and x=0.4.However, the O1s curves of Pr2-xSrxCoOλ catalysts, when x=0.6—1.0,included two peaks, and the peak areas approaching BE (531 eV) increased with the increase of x.The catalytic activities for CO and C3H8 oxidation were closely correlated with oxygen vacancy, lattice oxygen and Co3+.
    Model for etherification kinetics of pyrocatechol and methallyl chloride
    WEI Xiaobo, WANG Liangjie, LUO He’an
    2005, 56(10):  1892-1896. 
    Abstract ( 738 )   PDF (765KB) ( 404 )  
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    This work measured the kinetic data for the etherification of pyrocatechol with methallyl chloride and proposed a kinetic model for the reaction process according to the factor analysis of the reaction process and the data. The model included a desirable main reaction with two concomitant side reactions. The activation energy values of the main and side reactions were obtained, and the optimal reaction conditions such as reaction temperature, time, feeding time of methallyl chloride were discussed based on the reaction model. While a concomitant reaction was intensified at a lower temperature, another concomitant reaction was intensified at a higher temperature.
    催化、动力学与反应器

    Synthesis of allylamine in ethanol

    TANG Bingtao;ZHANG Shufen;YANG Jinzong

    2005, 56(10):  1897-1900. 
    Abstract ( 907 )   PDF (266KB) ( 309 )  
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    Allylamine was prepared from the ammonolysis of allyl chloride or the reaction of allyl chloride with hexamethylenetetramine in ethanol. The selectivity of allylamine was improved from 21.4% to 67.6% when the reaction was carried out in ethanol instead of liquid ammonia. At the same time, the selectivity of allylamine was increased from 13.3% to 67.6% when the molar ratio of NH3 to allyl chloride was increased from 4.5∶1 to 25∶1.However, the reaction of allyl chloride and hexamethylenetetramine in ethanol produced allylamine with high selectivity (100%) and high yield (87%).The synthesis of allylamine from the reaction of allyl chloride and hexamethylenetetramine in ethanol was more straightforward and convenient.
    Simulation of nonlinear chromatographic process for surfactant-polymer flooding
    CHEN Chaohui, ZHUANG Huajie, LI Xi
    2005, 56(10):  1901-1906. 
    Abstract ( 650 )   PDF (471KB) ( 192 )  
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    The combined flooding in oil recovery is a multiphase chromatographic process.Modeling for multiphase, multicomponent nonlinear chromatography was applied to simulation of the surfactant/polymer flooding process.By means of the method of characteristics, the characteristic velocities of saturation and concentration waves were solved.Then, integrating the eigenvectors led to wave profiles of saturation and concentration in physical spatial domain.The simulation results indicated that the concentration shock of polymer appeared earlier than that of surfactant; moreover due to solutes’movement, saturation wave could develop into multi-shock, which enabled the oleic flow to form oil bank rapidly.In addition,the influencing factors, such as concentration, flow velocity, adsorption constant and partitioning coefficient were also discussed.
    Immobilization of tannin on collagen fiber membrane and its adsorption to Pb(Ⅱ) and Hg(Ⅱ) in aqueous solution
    MA Hewei, LIAO Xuepin, WANG Ru, SHI Bi
    2005, 56(10):  1907-1911. 
    Abstract ( 653 )   PDF (606KB) ( 188 )  
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    A novel adsorption membrane with excellent physical properties was prepared by immobilizing bayberry tannin onto hide collagen fiber membrane. The equilibrium adsorption capacities of the membrane to Pb(Ⅱ) and Hg(Ⅱ) were 39.9 mg&#8226;g-1 and 75.2 mg&#8226;g-1 respectively at 303 K when the equilibrium concentrations of Pb(Ⅱ) and Hg(Ⅱ) were 192.1 mg&#8226;L-1 and 23.5 mg&#8226;L-1.Higher temperature led to higher adsorption capacity. The adsorption isotherm of Pb(Ⅱ) on the tannin immobilized membrane could be described by the Langmuir model, however, the isotherms of Hg(Ⅱ) tended to be fitted by the Freundlich model. The data of adsorption rate could be well described by the pseudo-second-order rate model. Continuous adsorption experiments indicated that multi-layer membranes were efficient for the removal of Pb(Ⅱ) and Hg(Ⅱ) from water. The membrane was easy to be regenerated by 0.1 mol&#8226;L-1 HNO3 after continuous adsorption and no considerable change of its adsorption property was observed after adsorption and desorption cycles.
    分离工程

    Scaling salts removal in RO concentrates by inorganic induced method

    YANG Qingfeng
    2005, 56(10):  1912-1914. 
    Abstract ( 461 )   PDF (458KB) ( 162 )  
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    过程系统工程

    Operating regime based soft sensing of polypropylene melt flow rate

    LI Chunfu;WANG Guizeng;YE Hao

    2005, 56(10):  1915-1921. 
    Abstract ( 597 )   PDF (867KB) ( 413 )  
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    Operating regime based soft sensing model of polypropylene melt flow rate (MFR) was developed.First, different operating regimes were determined according to the concentration of hydrogen in the reactor.Then for each operating regime, a nonlinear PLS (NLPLS) model was built by combining PLS with RBF networks.Finally, all the sub-models were combined to formulate the global model. To deal with the problem that the process changed with time, a recursive nonlinear PLS (RNPLS) algorithm was proposed to update the model to adapt process changes.In addition, an on-line model estimation and updating procedure based on moving window approach was proposed.The proposed method was used in an actual plant, and the results showed that the model achieved quite good performance and the accuracy of the model could satisfy the practical need.
    Artificial neural network based on hybrid genetic algorithm and prediction of melting points of organic compounds
    PENG Qianrong, YANG Min, SHI Yanfu, YU Huarui, LIU Zhongxiang
    2005, 56(10):  1922-1927. 
    Abstract ( 664 )   PDF (452KB) ( 428 )  
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    In order to avoid local minimum points during training BP network,adaptive crossover mutation algorithm and elitist model algorithm were used,which could optimize the weight and bias of BP network so as to build a hybrid genetic algorithm neural network. The algorithm consisted of the respective advantages of adaptive crossover mutation algorithm and elitist model algorithm. The best solution of problems was obtained by using as few generations as possible.In this way, local minimum point was prevented and the better average fitness and individual of best fitness were obtained in the algorithm. The artificial neural network with the above optimization strategy could greatly improve stability and speed of convergence and guarantee convergence to a global minimum point.Application of artificial neural network to predict physical properties of materials is a promising field to be developed. In this paper the proposed artificial neural network based on hybrid genetic algorithm was used to predict melting points of organic compounds. The molecular mass, critical density, normal boiling point and dipole moment of organic compounds were used in prediction.The predicted values based on artificial neural network with hybrid genetic algorithm were better than the values calculated with the Joback equation and Xu equation.
    过程系统工程

    Hill-climbing particle swarm optimization algorithm with variable width neighborhood and its application

    CHEN Guochu;YU Jinshou

    2005, 56(10):  1928-1931. 
    Abstract ( 757 )   PDF (366KB) ( 257 )  
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    This paper proposes a hill-climbing particle swarm optimization algorithm with variable width neighborhood (vwnHCPSO).The new method assumes that some stochastic particles are produced in an initial neighborhood of the best particle Pg at the first iteration of PSO.Then the best individual Pgn of the stochastic particles is found. If Pgn is better than Pg,Pg is replaced with Pgn and the next iteration of PSO goes on. If Pgn is not better than Pg,the neighborhood width of the best particle Pg is broadened, the stochastic particles production is renewed and the best individual Pgn of stochastic particles is found again. If Pgn can be better than Pg now, Pg is replaced with Pgn and the next iteration of PSO can go on. Otherwise, the neighborhood width of the best particle Pg is broadened again and the next iteration of PSO does not go on until the best individual Pgn of stochastic particles is found or the neighborhood width exceeds the scheduled width. Then, vwnHCPSO, hill-climbing particle swarm optimization algorithm with invariable width neighborhood (HCPSO) and PSO are used to resolve several well-known and widely used test functions’ optimization problems. Results show that vwnHCPSO has greater efficiency, better performance and more advantages in many aspects than HCPSO and PSO. Next, vwnHCPSO is used to train artificial neural network (NN) to construct a practical soft-sensor of light diesel oil flash point of the main fractionator of fluid catalytic cracking unit (FCCU).The obtained results and comparison with actual industrial data indicate that the new method proposed in this paper is feasible and effective in soft-sensor of light diesel oil flash point.
    表面与界面工程

    Penicillin acylase hydrolysis of 6-APA in reversed micelle with ionic liquids

    XIA Hansong;YU Jiang;LIU Huizhou

    2005, 56(10):  1932-1935. 
    Abstract ( 773 )   PDF (417KB) ( 482 )  
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    Penicillin hydrolysis by penicillin acylase was carried out in reversed micelle with [C14mim]Cl ionic liquids. The experiment indicated that this catalytic reaction showed better performance in enzymatic solubility, activity and stability than the reaction in reversed micelle with cetyl trimethyl ammonium bromide (CTAB). For example, the maximum solubility of penicillin acylase in ionic liquids system was twice more than that in CTAB, and the maximal enzymatic activity in ionic liquids was 1.3 times than that in CTAB.The outstanding properties of ionic liquids, including low charge density and irregular sharpness of head ring,might be attributable to its distinct head group. Ionic liquids made it possible to optimize the enzymatic catalysis in reversed micelle through altering its interfacial structure effectively.
    Natural gas & coal co-gasification to produce synthesis gas in hot simulation
    OUYANG Zhaobin, DUAN Dongping, GUO Zhancheng, SONG Xueping, YU Xianpu
    2005, 56(10):  1936-1941. 
    Abstract ( 591 )   PDF (1720KB) ( 462 )  
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    A new process, natural gas & coal co-gasification for synthesis gas production,was developed by combining natural gas steam reforming and coal gasification process.The H2/CO ratio of crude synthesis gas could be controlled in the range of 1.0—2.0. Using a moving bed as reactor, coke and coal as the raw materials in the preliminary study of hot simulative experiments, the effects of blowing parameters H2O/CH4/O2 on the temperature in the flame zone and the H2/CO ratio of synthesis gas were investigated.Natural gas and oxygen were blown into the reactor at the same position to keep the temperature of reactor above 1000 ℃ and the blowing parameters H2O/CH4/O2 were adjusted to produce crude synthesis gas, in which the H2/CO ratio varied to the range of 1.0—2.0, the contents of active compounds (H2 and CO) were more than 90.0% and the residue methane was less than 2.0%.The concept of natural gas & coal co-gasification process is correct and feasible.
    能源和环境工程

    Reduction of Fe3+ by intermediates during Fenton oxidation of p-chlorophenol

    DU Yingxun;ZHOU Minghua;LEI Lecheng

    2005, 56(10):  1942-1947. 
    Abstract ( 664 )   PDF (593KB) ( 287 )  
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    To understand the pathways of Fe2+ regeneration during the Fenton oxidation of p-chlorophenol(4-CP), the change of the concentration of Fe2+ and the reduction of Fe3+ by the intermediates were studied.Fe2+ remained almost unchanged during the oxidation of 4-CP by the Fenton process.But in the presence of 1-propanol,the scavenger of &#8226;OH, Fe2+ sharply decreased to 10% at the end of the first minute. Analysis of the rate constants of Fe2+ and Fe3+ with H2O2, &#8226;OH, HO2&#8226; and O-2&#8226; suggested that the net contribution of these radicals to Fe2+ regeneration was small and the reduction of Fe3+ by the intermediates of 4-CP oxidation was the main pathway of Fe2+ regeneration. Hydroquinone and benzoquinone were identified as the intermediates by HPLC. Hydroquinone could reduce Fe3+ quickly but benzoquinone could hardly reduce Fe3+.Hydroquinone was oxidized to form benzoquinone by Fe3+ and the ratio of hydroquinone to Fe3+ was 1∶2.This study is helpful to better understand the regeneration of Fe2+ in the Fenton process.
    Mechanism of SO2 removal in O2/CO2 combustion
    WANG Hong, DONG Xuewen, WANG Quanhai, QIU Jianrong, ZHENG Chuguang
    2005, 56(10):  1948-1954. 
    Abstract ( 572 )   PDF (547KB) ( 373 )  
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    O2/CO2 combustion is one of the processes to remove SO2 from pulverized-coal fired boiler.In this paper, SO2 emission and removal in O2/CO2 combustion were investigated in a fixed bed reactor and a drop tube reactor. The results indicated that the amount of SO2 emission was much less than conventional air combustion due to the presence of both homogeneous desulphurization and heterogeneous desulphurization in O2/CO2 combustion.Experimental study also suggested that the change of flue gas composition led to the difference of sulphur oxidation degree and the sulphur in coal could be released in different speciations and SO2 is only one of them.In O2/CO2 atmosphere, the desulphurization agent in coal itself showed different desulphurization behaviour comparing with that in air combustion; the desulphurization agent had an optimized microstructure which was beneficial not only for the improvement of the desulphurization efficiency but also for the adsorption of sulphur in the bottom ash.The kinetics calculation results also verified the above mechanism.
    能源和环境工程

    Correlativity between group modify index and chromatography retention value of PCDFs

    DU Xihua
    2005, 56(10):  1955-1961. 
    Abstract ( 725 )   PDF (425KB) ( 203 )  
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    Group modify index was adopted to describe the molecular structure of polychlorinated dibenzofurans (PCDFs),and a quantitative relationship model between the RI,RRT value and the molecular structure index of PCDFs was established by linear regression. Eight models,each of which was constructed by using all sample sets,with high correlation coefficient r>0.97,were developed for three columns(DB-5,SE-54 and OV-101),with mean relative deviation of 1.09% to RI.The RI and RRT of other PCDFs molecules were predicted by the regression equation,and error analysis was discussed. The results showed that the model developed could achieve better agreement between predicted and observed mean values of the same atomic values of chlorinated dibenzofurans than those predicted in literature.
    Numerical model of volatile organic compounds remediation and its application
    XUE Qiang, LIANG Bing, WANG Huiyun
    2005, 56(10):  1962-1966. 
    Abstract ( 578 )   PDF (642KB) ( 253 )  
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    Based on the theory of fluid flow in porous media and solute transport, a coupled dynamic mathematical model of migration of volatile organic compounds (VOC) in the unsaturated soil was established. The solution of the coupled equations was accomplished by using the finite difference method. The numerical model was used to predict the temporal and spatial distribution of VOC concentrations under the conditions of soil vapor extraction. The model solutions were compared to experiment values. Results showed that there was an obvious decrease both in the concentration and in the range of presence of volatile organic compounds during the period of soil vapor extraction. Soil vapor extraction had a large impact on VOC concentrations at the early stage, with reasonable agreement between model numerical solution and measured data, which provided a quantitative verification of the model. The theoretical and technical principles were provided for engineering design of soil vapor extraction system and for environmental prediction of vapor migration.
    能源和环境工程

    Recycling of LiCoO2 cathode materials from spent lithium ion batteries

    TONG Dongge;LAI Qiongyu;JI Xiaoyang

    2005, 56(10):  1967-1970. 
    Abstract ( 821 )   PDF (502KB) ( 907 )  
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    The recycling of LiCoO2 cathode materials from spent lithium ion batteries was studied.A corresponding process was proposed.Propylene carbonate was used as the solvent to recycle electrolyte.NMP was used as the solvent to separate the active materials from current collectors at 70 ℃.Carbon powder was removed by heat-treatment. Cobalt compounds were dissolved by HCl solution and recycled as Co(OH)2. The recycled Co(OH)2 was used as the starting material to synthesize LiCoO2.The net recovery of cobalt was more than 99%.The analytical results of recycled LiCoO2 showed that the recycling process was practical.

    Kinetics of KOH catalyzed trans-esterification of cottonseed oil for biodiesel production

    CHEN He;WANG Jinfu

    2005, 56(10):  1971-1974. 
    Abstract ( 691 )   PDF (387KB) ( 456 )  
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    Methyl esters were produced by trans-esterification of cottonseed oil with methanol in the presence of a homogeneous catalyst (KOH).A kinetic model was established by taking three consecutive and reversible reactions into consideration.Rate constants were determined for each reaction by the Runge-Kutta method with optimization.The corresponding values of frequency factor and activation energy were then obtained based on the Arrhenius’ law for all forward and reverse reactions under different experimental conditions.
    Novel biocatalyst with petroleum desulfurization potential
    TONG Mingyou, CAI Xiaofeng, ZHANG Zhaobin, ZENG Yiyong, BLANKESPOOR Harvey , ZHANG Quan, XU Ping
    2005, 56(10):  1975-1977. 
    Abstract ( 599 )   PDF (258KB) ( 226 )  
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    材料科学与工程

    PPTA pulps prepared by semi-continuous direct polycondensation process

    YOU Xiulan;LIU Zhaofeng;CAO Yutong;HU Zuming

    2005, 56(10):  1978-1981. 
    Abstract ( 725 )   PDF (492KB) ( 347 )  
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    Poly-p-phenylene terephthalamide(PPTA) pulps were prepared by the semi-continuous direct polycondensation process using twin screw extruder as the main reactor. It was shown that a low temperature was needed for pre-polycondensation. The temperature for the main reaction in the twin screw extruder should be about 70℃ and the residence time of the reactive materials in the twin screw extruder should be longer than 3 min. Increasing the rotation speed of the screw had almost no effect on the relative molecular mass of PPTA pulps but had negative effect on the performance of the pulps due to too short residence time of the material in the twin screw extruder. This process had good prospects in commercial production of PPTA pulps.

    Synthesis and characterization of bis-phenyl heptasilsesquioxane

    ZHANG Juan;LI Qifang;GENG Haiping

    2005, 56(10):  1982-1986. 
    Abstract ( 649 )   PDF (1985KB) ( 589 )  
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    Heptamertic cyclopentyl siloxane 1 containing three SiOH functions was synthesized by the controlled hydrolysis of cyclopentyltrichlorosilane. Then heptameric cyclopentyl siloxane 2 containing one SiOSiMe3 function and two SiOH functions was prepared by adding chlorotrimethylsilane to the solution of 1 in THF by controlling the proper molar ratio. Finally, cage-like hepta(cyclopentyl) silsesquioxane(POSS) 3 containing two SiOSiMe2Ph functions and one SiOSiMe3 function was obtained by adding excessive chlorodimethyl- phenylsilane to the solution of 2 in THF. The prepared compounds were characterized by FTIR,1H NMR,29Si NMR .The results showed that difunctional POSS with clear structure could be prepared by this method with a high yield.A new,simple and feasible route to design and synthesize difunctional POSS was proposed.

    Synthesis and characterization of N-phenyl maleimide modified novolac resin

    ZHOU Dapeng;FAN Hong;BU Zhiyang;LI Bogeng

    2005, 56(10):  1987-1992. 
    Abstract ( 658 )   PDF (600KB) ( 468 )  
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    N-phenyl maleimide modified novolac resin was synthesized by condensation polymerization of a mixture of N-phenyl maleimide and formaldehyde by slowly feeding phenol in the presence of an acid catalyst. The polymerization conditions were optimized to obtain the high reaction conversion of PMI and proper viscosity of PPMF. It was found that reaction competition and conversion ratio for PMI were enhanced with increasing feeding time of phenol. As the reaction reflux time was increased, the conversion of PMI and the viscosity of PPMF were increased. At a higher reaction temperature or more amount of PMI, the conversion of PMI was decreased. The resins were characterized by FTIR, 13C NMR and thermal analysis. It was found that the N-phenyl maleimide groups were combined in the chains of novolacs and the N-phenyl maleimide content of PPMF could reach around 33%. DSC curve revealed two curing peaks,of which one at around 150℃ was attributed to the condensation reaction of methylol groups formed in minor quantities on the phenyl rings,and the other at around 250℃ was attributed to the addition curing reaction of the maleimide groups. TGA analysis showed that the cured PPMF had better thermal properties.
    Preparation of glass fiber reinforced phenolic injection molding materials and its properties
    FAN Hong, ZHOU Dapeng, LIU Xuemei, BU Zhiyang, LI Bogeng, SHEN Peilin
    2005, 56(10):  1993-1997. 
    Abstract ( 618 )   PDF (738KB) ( 423 )  
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    Key technical issues including the selection of base resin, the control of curing reaction and cured structure, and the dispersing of glass fiber fillers in the preparation of glass fiber reinforced phenolic injection molding materials were studied. Differences in the formed structure and morphology and curing rheological properties of phenolic injection molding materials prepared with different types of base resins were also investigated.By using blend resins of resol and novolac as base materials, optimizing raw materials formulation and preparation technology,a new kind of glass fiber reinforced phenolic injection molding material was obtained.The new material showed excellent mechanical properties, heat resistance and good flame retardant as well as suitable injection properties. Its Charpy notch impact strength was 4.3 kJ&#8226;m-2, flexural strength was 137.4 MPa, heat distortion temperature was 245 ℃ and flame retardant properties passed the attestation of UL 94 V-0. In addition, it showed good dimension stability, insulation properties and had lower-cost advantage.
    Copolymerization of dimethyl diallyl ammonium chloride and acrylamide by using AIBA·2HCl-NaHSO3 initiator and characterization
    ZHANG Wanzhong, QIAO Xueliang, CHEN Jianguo, LI Miangui
    2005, 56(10):  1998-2003. 
    Abstract ( 818 )   PDF (466KB) ( 220 )  
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    By using AIBA·2HCl-NaHSO3 initiation system,a series of high intrinsic viscosity copolymers of dimethyl diallyl ammonium chloride(DMDAAC) and acrylamide(AM) were prepared in aqueous medium under different conditions.The effects of various factors such as initiator concentration, pH of solution, composite initiator and the way of feeding AM etc.on the copolymerization of dimethyl diallyl ammonium chloride and acrylamide were studied. The results indicated that copolymerization could be initiated at a low temperature.At 30℃,nAMnDMDAAC=4∶1,ω(monomer)=30%,c(AIBA·2HCl)=1.0×10-4 mol·L-1,when the monomer solution was polymerized at pH=7.0,the intrinsic viscosity of PDMDAAC-AM was 11.56 dl·g-1;when the monomer solution was polymerized at pH=10.0,the intrinsic viscosity of copolymer was up to 13.60 dl·g-1.If continuous feeding of AM was used , the cationicity and intrinsic viscosity of copolymer could attain 38.8% and 11.61 dl·g-1.Furthermore, the monomer reactivity ratios and apparent activation energy of the polymerization system were determined.
    Synthesis and characterization of surface cross-linked humic acid/poly acrylic acid superabsorbent resin
    CHU Mo, ZHU Shuquan, LI Huamin, HUANG Zhanbin, ZOU Lizhuang
    2005, 56(10):  2004-2008. 
    Abstract ( 667 )   PDF (1153KB) ( 826 )  
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    A composite superabsorbent resin(HA-PAA) for agricultural application was prepared by the surface cross-linking reaction of sulfonated humic acid and poly acrylic acid.N,N′-methylenebisacryamide dissolved in methanol solution was used as surface cross-linking agent.The effect of the ratio of sulfonated humic to poly acrylic acid, the concentration of cross-linking agent, and volume ratio of methanol to deionized water on water absorbency was investigated.In contrast with poly acrylic acid, the surface structure of HA-PAA was analyzed by microscopic investigation, and water-absorbing mechanism was explored.The experimental results showed that HA-PAA with 10%(mass) humic acid possessed better water absorbency and electrolyte resistance.Compared with the sample of poly acrylic acid, the water retention of HA-PAA in sand was also studied.The water retention of the sand was enhanced greatly when mixed with 0.2% HA-PAA.HA-PAA can be used as water-managing and growth-improving materials for agriculture and horticulture purposes in desert-prone areas.
    Preparation and properties of super absorbent composite resin
    ZHANG Lan, YIN Yansheng, LONG Fei, YANG Rongxing
    2005, 56(10):  2009-2013. 
    Abstract ( 598 )   PDF (1131KB) ( 326 )  
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    One new type of super absorbent composite resin that can be self-degraded was prepared by using a new crosslink reagent.It was prepared by water solution co- polymerization based on acrylamide, acrylic acid, ammonium persulfat, bentonite and pillared bentonite.Ammonium persulfat was the initiator and polyhydroxyl-Al cations which was in bentonite layers was the crosslink reagent. The pillared effect of bentonite was studied by X-ray diffraction analysis; the best dosage of pillared bentonite and initiator was studied by researching the absorption capability of distilled water and 0.9% salt solution, respectively.The self-degradation of composite resin was studied by observing the state of the composite resin gel.The pillared effect was very good.The polyhydroxyl-Al cations was introduced into the layer of bentonite.The best dosage of pillared Bentonite and initiator was 2.4% and 0.34% of total monomer quality, respectively.The self-degradation of this composite resin was better than that of other super absorbent rein,At 65 ℃ it was self-degraded completely in 25 days.
    Preparation and characterization of 3,4,5-trimethoxybenzoyl-3,5-dimethylbenzoylchitin
    DUO Yingquan, CHEN Yu, LUO Yunjun, TAN Huimin
    2005, 56(10):  2014-2018. 
    Abstract ( 641 )   PDF (521KB) ( 393 )  
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    3,4,5-trimethoxybenzoyl-3,5-dimethylbenzoylchitin, a kind of novel macromolecular UV absorbent with good solubility was prepared through the co-acidylating method.The substitution degree of two kinds of acyl group was calculated from the data of elemental analysis.The substitution reaction was demonstrated by the result of FTIR.The crystallinity and thermal stability of the products were studied with the methods of X-ray diffraction and TG. The molar absorptivity values of two kinds of acyl group were 9329.1 L&#8226;mol-1&#8226;cm-1 and 652.7 L&#8226;mol-1&#8226;cm-1 respectively, which were calculated from the data of UV absorbance.Then the acyl group content could be calculated from the UV absorbance data and the results were in agreement with those calculated from the data of elemental analysis.
    Influence of different states of water in hydrogels on tensile properties
    TAN Guoxin, CUI Yingde, YI Guobin, ZHOU Jiahua
    2005, 56(10):  2019-2023. 
    Abstract ( 832 )   PDF (600KB) ( 1091 )  
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    Hydrogel materials were synthesized by radical copolymerization of 2-hydroxyethyl methacrylate (HEMA)、N-vinylpyrrolidone (NVP) and n-butyl methacrylate(BMA)/methyl methacrylate(MMA), with azobisisobutyronitrile (AIBN) as an initiator.The different states of water in swelling hydrogels were studied by means of differential scanning calorimetry (DSC) combined with thermogravimetry (TG).It was found that water in polymer existed in three states:freezing free water, freezing bond water and non-freezing bond water. DSC and TG data show that the content of freezing water in hydrogel increased with the growth of NVP percentage, and the non-freezing water in hydrogel increased with the growth of HEMA and n-butyl methacrylate(BMA)/methyl methacrylate(MMA) percentages.The tensile properties of the material increased with adding the hydrophobic monomers. The plasticization of the material was affected by the non-freezing water in hydrogel rather than by the freezing water.
    Effects of matrix material content on soluble drug release from matrix
    GAO Yingchun, ZHANG Liang, BIAN Zhengzhong
    2005, 56(10):  2024-2028. 
    Abstract ( 655 )   PDF (7217KB) ( 163 )  
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    The effects of different matrix material contents on the release of soluble drug’s mixed matrix were studied.With dissolution as guideline,and Captopril as model drug the effect of matrix material contents on the release of Captopril from hydrophilic gel matrix, wax matrix and mixed matrix were compared.The content of the matrix material had greater influence on the release of Captopril from mixed matrix than that from former single matrix. Moreover, the effect of Compritol 888 contents was more significant than that of HPMC K4M in mixed matrix.
    材料科学与工程

    Preparation of aqueous dispersion of epoxy curing agent with specially synthesized phase inversion emulsifier

    ZHOU Jiliang;TU Weiping;HU Jianqing

    2005, 56(10):  2029-2032. 
    Abstract ( 692 )   PDF (294KB) ( 252 )  
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    Generally, the curing agents for aqueous ambient-temperature-cured epoxy resin systems are epoxy-polyamine adduct, which are rendered water-soluble by salting with organic acids,while these acids have adverse influence on film property.It is a trend to develop aqueous dispersion of epoxy curing agent free of organic acids.The conventional surfactants are not suited to act as phase inversion emulsifiers to prepare aqueous dispersion of epoxy-polyamine adduct. So a special phase inversion emulsifier TETA-DGEPG-EPON834 was synthesized in two steps.Firstly, diglycidyl ether of polyglycol(DGEPG) was used as the chain extender to react with triethylenete tramine(TETA) in propylene glycol methyl ether (PM) at 70℃ for about 4 h.Secondly, epoxy resin(EPON834) was used as the chain extender to react with the adduct of TETA-DGEPG in PM at 65℃ for about 3 h.Then the special phase inversion emulsifier was used to prepare aqueous dispersion of EPON828-TETA adduct terminated by E10. In circumstances of low emulsifier concentration (5%), phase inversion was not completed at phase inversion point (PIP) (0.35). While the phase inversion has completely finished at PIP (0.45) in the circumstances of high emulsifier concentration (10%).A stable aqueous dispersion of EPON828-TETA adduct terminated by E10 was prepared in circumstances of high emulsifier concentration (10%).