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Table of Content
05 August 2007, Volume 58 Issue 8
    Measurement and correlation of liquid-liquid equilibrium data for ionic liquid-based aqueous two-phase system of[Bmim]BF4-H2O-Na2CO3
    LIU Bingyan, LIU Peiyuan, WANG Guoping, LIN Jinqing
    2007, 58(8):  1885-1890. 
    Abstract ( 727 )   PDF (787KB) ( 522 )  
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    The solubility curve and density curve of 1-butyl-3-methylimidazolium tetrafluoroborate-water-sodium carbonate system ([Bmim]BF4-H2O-Na2CO3) were measured with the turbidity titration method at 30℃ under atmospheric pressure and were correlated with empirical equations. The liquid-liquid equilibrium data of the system were measured with the turbidity-density method and the phase diagram was constructed. As shown by experimental results, one phase of the aqueous two-phase system was composed mainly of water and ionic liquid whereas the sodium carbonate concentration was very low, the other phase was composed mainly of water and sodium carbonate whereas the ionic liquid concentration was very low. The system could be used for extraction and separation. It could also be used for primary separation and recovery of ionic liquids from aqueous solution. Othmer-Tobias and Bancroft equations were used for correlation of the liquid-liquid equilibrium data, but the result was not satisfactory. The maximum relative error was about 94.99%, and the maximum average relative error was about 15.69%.A new method for the correlation by using Othmer-Tobias and solubility equations was proposed. The maximum relative error was about 4.52%, and the maximum average relative error was about 2.77%.The calculated results were in good agreement with experimental data. The method could be used for correlation of liquid-liquid equilibrium for the system with a low content of one component.

    A new method for determining mixing time in stirred tanks
    ZHANG Qinghua, MAO Zaisha, YANG Chao, WANG Zheng
    2007, 58(8):  1891-1896. 
    Abstract ( 801 )   PDF (1572KB) ( 490 )  
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    A new definition of mixing time was proposed based on the fraction of well-mixed volume. The mixing process in the stirred tank with a single Rushton turbine was examined by solving the transport equation of the tracer based on the numerical simulation of the whole flow field. It was shown that the value of mixing time was dependent on the speed and position of impeller. Mixing time decreased with the increase of impeller speed at the same volume concentration. When the impeller was in the center of the tank, the mixing time was the shortest. The draft tube with proper dimension and position could effectively decrease mixing time.

    Micro-macro simulation of polymeric fluid flow
    ZHANG Xiaohua, OUYANG Jie, KONG Qian
    2007, 58(8):  1897-1904. 
    Abstract ( 651 )   PDF (2203KB) ( 510 )  
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    Based on simulation of molecular models of polymeric fluids,a new micro-macro method for numerical calculation of viscoelastic flow is presented in this paper. This method coupled the mass and momentum conservation equations at the macroscopic level,with a stochastic differential equation which models the evolution of the polymer configures at the microscopic level. Accordingly,the velocity filed was determined by solving the conservation equation with a meshless method,and the stress was computed from the molecular configuration rather than from closed-form constitutive equations. Thus this method bypassed the need for a rheological constitutive equation to describe the polymeric fluid. In order to validate this method and to demonstrate its robustness,the start-up planar Couette flow was studied for Hookean,FENE and FENE-P dumbbell models and the lid-driven cavity flow was studied for Hookean dumbbell models.

    Frictional pressure drop characteristics of R410A-oil mixture flow boiling in 7 mm straight and C-shape enhanced tubes
    HU Haitao, DING Guoliang, WANG Zhence, WEI Wenjian
    2007, 58(8):  1905-1910. 
    Abstract ( 628 )   PDF (1360KB) ( 235 )  
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    An experimental study of frictional pressure drop characteristics of R410A-oil mixture flow boiling inside straight and C-shape horizontal enhanced tubes was performed. The test tube was an internally spiral grooved tube with the outer diameter of 7.0 mm. Experimental parameters included evaporating temperature 5℃, mass flux from 200 kg·m-2·s-1 to 400 kg·m-2·s-1, heat flux from 7.56 kW·m-2 to 15.1 kW·m-2, inlet vapor quality from 0.1 to 0.7, and oil concentration from 0 to 5%.The test result showed that frictional pressure drop of R410A-oil mixture flow boiling inside straight and C-shape enhanced tubes increased with increasing oil concentration and mass flux. New correlations of frictional pressure drop for R410A-oil mixture flow boiling inside the straight enhanced tube and C-shape enhanced tube were developed respectively based on the mixture properties. The new frictional pressure drop correlation for the straight enhanced tube could agree with 97% of the experimental data within deviation of ±10%, and the frictional pressure drop correlation for the C-shape enhanced tube could agree with 95% of the experimental data within deviation of ±15%.

    Airside heat and mass transfer characteristics of split fin-and-tube heat exchangers under dehumidifying conditions
    MA Xiaokui, DING Guoliang, ZHANG Yuanming
    2007, 58(8):  1911-1916. 
    Abstract ( 752 )   PDF (6331KB) ( 311 )  
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    The airside heat and mass transfer characteristics of seven split fin-and-tube heat exchangers with hydrophilic coating were studied under dehumidifying conditions experimentally. The effects of fin pitch and inlet relative humidity on airside heat and mass transfer performance were investigated. The results indicated that the heat and mass transfer performance decreased with the increase of fin pitch. The heat transfer performance was insensitive to the change of inlet relative humidity, and the mass transfer became weaker with the rise of inlet relative humidity. Correlations were proposed to describe the heat and mass transfer characteristics. The Colburn heat transfer factors Jh correlation could describe 96.6% of experimental data and the Colburn mass transfer factors Jm correlation could describe 81.4% of experimental data with an error of ±15%.Correspondingly, the mean deviations of the proposed heat and mass transfer correlation were 5.3% and 8.5%, respectively.

    Measurement of infinite dilution diffusion coefficients of small molecule solvents in nascent polyethylene particles by inverse gas chromatography
    YAN Xiaowei, SHAN Yibin, WANG Jingdai, YANG Yongrong
    2007, 58(8):  1917-1925. 
    Abstract ( 576 )   PDF (1659KB) ( 445 )  
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    Based on the classical theory of linear and non-equilibrium chromatography process, the infinite dilution diffusion coefficients of dichloromethane, tri-chloromethane, tetra-chloromethane and n-hexane in nascent polyethylene particles were measured in the temperature range from 323.15 K to 358.15 K with inverse gas chromatography (IGC). Polyethylene particles, as obtained from the polymerization reactor, were directly used to prepare packed columns without any change of the polymer morphology. The effects of diffusion temperature, molecular weight of different solvents and polyethylene crystallinity on diffusivity were investigated. It was shown by the IGC results that the diffusion coefficients increased with rising temperature for a particular polymer/solvent system, while decreased with increasing molecular weight of diffusing solvent for homologue solvents, such as dichloromethane, tri-chloromethane and tetra-chloromethane. The crystallinity of semicrystalline polyethylene also affected the diffusion coefficients significantly in the way that higher crystallinity corresponded to lower diffusion coefficients for both dichloromethane and n-hexane. The measured diffusion coefficients were compared with model predicted values and good agreement was found, indicating the reported IGC method in this work had good reliability.

    Effects of electric field distribution on R123 boiling heat transfer enhancement
    HUANG Xuan, LI Ruiyang, YU Hongling, LIU Chunyan
    2007, 58(8):  1926-1930. 
    Abstract ( 674 )   PDF (1125KB) ( 309 )  
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    The effect of six different electrode arrangements on R123 pool boiling heat transfer was investigated. The resultant electric field intensities and distributions on the heat transfer surface were numerically calculated. Both electric field intensity and homogeneity on the heat transfer surface were different for different electrode arrangements. It was found that heat transfer enhancement was related to electric field homogeneity, electric field intensity and heat flux. At a lower heat flux, heat transfer was enhanced more significantly than at a higher heat flux. Meanwhile the higher the electric potential, the more significant the heat transfer enhancement. Electro-hydrodynamics(EHD) boiling heat transfer enhancement was the result of both electric field intensity and homogeneity.

    Steady state circulation flow analysis of loop pulsating heat pipe
    SU Lei, ZHANG Hong
    2007, 58(8):  1931-1934. 
    Abstract ( 577 )   PDF (714KB) ( 328 )  
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    The heat balance and characteristics of steady state circulation flow of a single loop pulsating heat pipe was studied with thermo-mechanical analysis. The relationship of system dissipation work and volume work when the system was running stably and the relationship of water vapor expansion work and saturated pressure with water as working fluid were established. The results showed that dissipation work was necessary to keep stable running,and the heat absorption from the evaporator section must be equal to the heat release from the condenser section. The temperature and pressure of the evaporator section must be higher than those of the condenser section. The water vapor expansion work must be higher than the condenser compression work,and the difference was used to overcome system dissipation work. The graph of water vapor expansion work distribution and its variation with saturated pressure was presented,with a maximum work at pressure 2.5MPa and temperature 225℃.

    Atomization and drop-size distribution of liquid-liquid systems
    LIANG Kunfeng, PENG Zhengbiao, YUAN Zhulin, FAN Fengxian
    2007, 58(8):  1935-1942. 
    Abstract ( 1210 )   PDF (2552KB) ( 1225 )  
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    Drop formation in liquid-liquid atomization processes is one of the key techniques of liquid-liquid circulating fluid bed (CFB).A high resolution digital camera and image processing were used to investigate the process of drop formation in a normal CFB experimental system. The photos and sizes of drops in the whole flux range were obtained from experiments, and the distribution function was used to analyze the drop-size distribution (DSD).Experimental results indicated that DSD from a specific flux was in good agreement with Rosin-Rammler distribution function, and the areas of drop formation were divided into single drop formation section, transition section, and multiple drop formation section. It was found that with increasing flux, the uniformity of drops decreased at first and then increased and the median diameter of drops always decreased in both single drop formation section and multiple drop formation section. The uniformity and median diameter of drops in the multiple drop formation section changed insignificantly, whereas they remained unchanged in the transition section. And the diameters of drops formed were mostly between 0.7 mm and 1.0 mm while the flux of water was 50 ml·min-1.The research results provide a reasonable flux range of drop formation for practical operation of CFB based on the design demand of particle-size.

    Flow pattern map of two-phase flow of nitrogen and water based nano-liquids in horizontal capillary tube
    GAO Yipu, LIU Zhenhua
    2007, 58(8):  1943-1947. 
    Abstract ( 640 )   PDF (1924KB) ( 238 )  
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    The flow pattern map of the two-phase flow of nitrogen and water based CuO nano-liquid in a horizontal capillary tube was investigated experimentally. The nano-liquid was a suspension consisting of water, CuO nano-particles and sodium dodecyl benzol sulphate solution (SDBS).The flow pattern map of nitrogen-water in a horizontal capillary tube was firstly investigated and the result was compared with previously published models for the conventional tubes. Then, different specific volumes of SDBS and CuO nano-particles were added into water to make a series of water based CuO nano-liquids. The flow pattern characteristics of the gas-nanoliquids in a horizontal capillary tube were investigated.The experimental result showed that the flow pattern maps of gas-liquid two-phase flow for capillary tube differed significantly from those for the conventional tubes. For the gas-nanoliquids flow in the capillary tube, the flow pattern transitions for gas-liquid two-phase flow occurred at lower flow gas velocities compared with the gas-water flow in the same capillary tube. The effect of the gas-nanoliquids on the two-phase flow pattern resulted mainly from the change of surface tension. Since the surfactant and nano-particles decreased the surface tension of the nano-liquid, the flow pattern transitions for gas-nanoliquids occurred at much lower velocities compared with the case of gas-water. The concentrations of the nano-particles and SDBS had no effect on the flow pattern map of the gas-nanoliquids.

    Identification of gas-liquid two-phase flow pattern based on wavelet energy feature
    ZHOU Yunlong, WANG Qiang, YANG Zhihang, SUN Bin, CHEN Xiaobo, WANG Liyuan
    2007, 58(8):  1948-1954. 
    Abstract ( 744 )   PDF (2751KB) ( 307 )  
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    Gas-liquid two-phase flow pattern affects the characteristics of flow and heat transfer of a two-phase system, the performance characteristics of such a two-phase system, and the exact measurement of flow parameters. Aimed at the nonlinear and non-stationary characteristics of pressure difference signal, Hilbert-Huang transform(HHT) and wavelet packet transform were used to decompose the pressure-difference fluctuation signals and obtain the wavelet energy (IMF energy and wavelet packet energy) features of various [HJ*3/5]flow patterns. The IMF energy eigenvectors and wavelet packet energy eigenvectors were input into the Elman neural network, and flow regime intelligent identification can be performed. The experimental study showed that these two eigenvectors combined with the Elman neural network could accurately identify the four flow regimes and each method shows its merit and shortcoming. In addition, the result of flow regimes identification by using the Elman neural network was compared with that by using the BP neural network, which showed that the Elman neural network [HJ]had higher identification accuracy than the BP neural network.

    Hydrodynamic principles of hydrocyclone quench box
    LAI Chaorong, CHENG Zhenmin, Huang Zibin, FANG Xiangchen, LIU Zhongxin, PENG Deqiang
    2007, 58(8):  1955-1959. 
    Abstract ( 562 )   PDF (538KB) ( 345 )  
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    A hydrocyclone quench box was designed according to the fluid dynamics of spiral flow. The quench box size, the drainage tube diameter, and the inlet tube diameter were designed based on Froude number and conservation of mechanical energy. The pressure drop of the hydrocyclone quench box was measured, and the liquid volumetric mass transfer coefficient was determined by oxygen absorption. The hydrocyclone quench box was compared with the horizontal flow quench box. The streamline of hydrocyclone quench box was simulated by computational fluid dynamics software. It was found that the pressure-drop and liquid volumetric mass transfer coefficient of the hydrocyclone quench box was better than the horizontal flow quench box .The pressure drop was less than 20 kPa and the liquid volumetric mass transfer coefficient was 0.0256 s-1 at 10 m3·h-1 liquid flow rate and 60 m3·h-1 gas flow rate. Simulation indicated that the average length of streamline under spiralling was 4 times of that under non-spiralling condition, which enhanced mixing for gas and liquid.

    Intrinsic kinetics for catalytic combustion of off-gas from acrylonitrile plant
    WEI Liqiong, ZHU Jiqin, LI Chengyue
    2007, 58(8):  1960-1966. 
    Abstract ( 573 )   PDF (1501KB) ( 636 )  
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    The catalytic combustion of the individual components and the mixtures of carbon monoxide, propylene and propane were investigated by using an integral microreactor under the conditions of no diffusion limitations. The adsorption properties of the reactants were probed by the temperature-programmed desorption (TPD) technique to distinguish the probable reaction mechanism. The Eley-Rideal kinetic models were selected to fit the experimental data of individual components conversion, and the parameters of the models were estimated by the partial least-square (PLS) method and simplex search optimization. The calculated conversion values of every component were in good agreement with the experimental data. Also, it was found that the conversions predicted by the individual component kinetic models were consistent with the experimental results of the mixture catalytic combustion.

    Kinetics of the gas phase catalytic oxidation of toluene in a microreactor
    GE Hao, CHEN Guangwen, YUAN Quan, LI Hengqiang
    2007, 58(8):  1967-1972. 
    Abstract ( 624 )   PDF (1182KB) ( 403 )  
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    In this work, the kinetics of gas phase selective oxidation of toluene to benzaldehyde (BA) and benzoic acid (BAc) over V2O5/TiO2 catalyst was studied in a microchannel reactor. With the elimination of the mass and heat transfer limitations, the intrinsic characteristics of the reactions were well investigated in the microreactor. It was found that the activity of the catalyst decreased within the first three hours and after that no deactivation occurred during the experiments. The kinetic experiments were carried out in the steady state of the catalyst. A reaction network including five reactions was proposed, i.e.the consecutive oxidation of toluene to BA, BA to BAc, and the deep oxidation of all of the three to COx. It was assumed that the reactions were first order dependent on the organic compounds and the kinetic parameters were evaluated by the integral reactor model. The rate constants at a specific temperature, the pre-exponential factors and the activation energies of all the reaction steps were estimated. A simple and practicable kinetic model was built to characterize the process and to pre-estimate the rate of toluene oxidation and the product distribution within a rather wide reaction condition range.

    Influence of support acid-treatment on catalytic performance of (SiO2)-O-AlCl2 catalyst in alkylation reaction
    DENG Shaoliang, JI Min, LI Xiuyuan, HE Min, JIANG Shan, CAI Tianxi
    2007, 58(8):  1973-1977. 
    Abstract ( 788 )   PDF (854KB) ( 353 )  
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    SiO2 support was pretreated by hydrochloric acid solution and used to prepare (SiO2)-O-AlCl2 catalyst by the two-step vapor method.Its catalytic performance of activity,stability and selectivity in the alkylation reaction of benzene with mixed long chain olefins (C10—C13) were tested, and compared with that obtained over the catalyst of AlCl3 immobilized on untreated SiO2 support.The catalyst using acid-treated SiO2 as support exhibited the stability of 17 cycles, which was much higher than that of the catalyst of AlCl3 immobilized on untreated SiO2.The results of IR, TGA and chemical analysis indicated that the concentration of hydroxyl and the amount of halide on the surface of SiO2 were increased by the acid-treatment process, which was beneficial to the lifetime of (SiO2)-O-AlCl2 catalyst.Moreover, the immobilization temperature of AlCl3 on the SiO2 support pretreated by hydrochloric acid solution influenced the lifetime of (SiO2)-O-AlCl2 catalyst.The (SiO2)-O-AlCl2 catalyst prepared at 200℃ was better.

    A new rotating falling film slurry photoreactor for water purification
    SANG Xuemei, QUAN Xuejun, ZHAO Qinghua, TAN Huaiqin
    2007, 58(8):  1978-1982. 
    Abstract ( 603 )   PDF (4437KB) ( 308 )  
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    A new rotating falling film slurry photoreactor(RFFS)was proposed based on the analysis of the characteristics of traditional bubble slurry photoreactor(TBS).The performance of RFFS was investigated by using Degussa P25 as the photocatalyst and phenol as the model chemical of photocatalytic degradation.In comparison,RFFS had higher efficiency in photocatalytic degradation,especially it could be operated at a higher concentration of catalyst,thus solving the problem of light transfer in the traditional bubble slurry photoreactor.The mass transfer in the photocatalytic slurry was largely strengthened because of the presence of the rotating film on the reactor wall,and the bulk slurry in the center part of the reactor was circulated and flowed down spirally on the reactor wall,and had more time to accept photons.As a result,the efficiency in photocatalytic degradation was largely improved.When circulating flow rate was more than 2.7 L·min-1,aeration rate was 1.0 L·min-1 and catalyst concentration was 3.0 g·L-1,the efficiency in photocatalytic degradation for RFFS increased by 1.6 times for the traditional bubble slurry photoreactor.The degradation kinetics of phenol in RFFS followed apparent first order reaction kinetic model.

    Flammable limits and maximum half cycle for inert porous medium burner with reciprocating flow
    SHI Junrui, XIE Maozhao, ZHOU Lei
    2007, 58(8):  1983-1988. 
    Abstract ( 714 )   PDF (6938KB) ( 300 )  
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    Based on the simplified theoretical solution deduced by the authors,the temperature profiles in the burner,the flammable limit and maximum half cycle were theoretically predicted by a piecewise linear function.These solution were applicable to inert porous medium combustors with reciprocating flow without heat loss to the surrounding.The predicted flammable limits showed the same trends as experiments for gas velocities less than 0.12 m·s-1,indicating that the lean flammable limit was getting lower with increasing gas velocity.However,when the gas velocity was greater than 0.17 m·s-1,it had little effect on the flammable limits.Computational results also showed that the flammable limits could be extended with porous media of smaller pore sizes.In addition,it was shown that the predicted maximum half cycle was proportional to the product of gas velocity and the specific heat ratio of solid to gas.The combustor length had significant influence on the maximum half cycle and a longer length permitted a larger half cycle. The predicted flammable limits and maximum half cycle provided a guidance for the combustor design and some insights into the further improvement of combustor performance.

    Kinetics of rubber-modified nylon 6
    ZHAO Hongkai, QIAN Chunxiang, QIAO Shuyuan
    2007, 58(8):  1989-1995. 
    Abstract ( 840 )   PDF (6776KB) ( 280 )  
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    Kinetic parameters were calculated based on the curve of reactive temperature rise measured with the adiabatic approach in the temperature range of 145℃ to 160℃ for the catalytic system of NaOH and acyl caprolactam end-capped butadiene-acrylonitrile rubber (CHTBN) or styrene-butadiene rubber (CHTBS).The reaction was first order, the activation energy was between 72.91—73.16 kJ·mol-1 and the pre-exponential factor was between 3.22×1011— 3.38×1011mol 1-n·s-1 in the system of CHTBN/NaOH.While in CHTBS/NaOH, the reaction order was between 1.23—1.34, the activation energy was between 85.55—86.88 kJ·mol-1 and the pre-exponential factor was between 4.52×1011—5.09×1011mol 1-n·s-1.The adiabatic reaction kinetic model of caprolactam anion was established based on prior research findings, and the polymerization reaction was simulated with the kinetic model. The agreement between simulation results and experimental data showed that the model was reasonable and correct.

    Air oxidation of 2,6-diisopropylnaphthalene to 2,6-naphthalenedicarboxylic acid in liquid phase
    JIN Haibo, HAN Zhansheng, SHAN Xilin, LI Daren, WU Zhiqiang, YANG Chunyu
    2007, 58(8):  1996-2003. 
    Abstract ( 600 )   PDF (2485KB) ( 281 )  
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    The influences of catalyst concentration, reaction temperature and pressure, feed rate, and water content on the liquid phase oxidation of 2,6-diisopropylnaphthalene to 2,6-naphthalenedicarboxylic acid (2,6-NDCA)were studied in a 1 L titanium reactor using air as oxidant, acetic acid as solvent, and a Co-Mn-Br mixture as catalyst, and the optimum operation conditions were obtained in the experimental range.Meanwhile, the promotor effects of individual CO2 and Ni2+ and their combined use on the activity of Co-Mn-Br catalyst were discussed.Based on the results of the batch experiments, a continuous process for making 2,6-NDCA was developed.The yield of 2,6-NDCA increased from 69% to 73% and the purity of 2,6-NDCA could be up to 95% with the increasing of reaction time.

    Hot water extraction of longan polysaccharide assisted by microwave pretreatment
    YANG Cuixian, LI Qingbiao, LING Xueping, SHAO Wenyao, XU Hui
    2007, 58(8):  2004-2009. 
    Abstract ( 702 )   PDF (563KB) ( 265 )  
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    Longan polysaccharide (LPS) has been discovered to have high anti-oxidation and anti-senility activity, while only a few studies about its extraction and chemical structure analysis have been reported.In this paper, longan pulp was pretreated by microwave and then LPS was extracted with hot water.The results of single-factor examination and orthogonal experiments showed that the optimal process parameters for this method were: microwave pretreatment with power 700 W for 60 s, followed by hot water extraction with solid(g)-liquid (ml)ratio of 1∶15 at 100℃ for 7 h with stirring speed of 240 r·min-1.The optimal yield of 9.00 mg·g-1(dried longan biomass weight) was achieved under these parameters.Ultraviolet spectrum and FTIR analysis showed that LPS was a β type acidic heterosaccharide with pyran and acetyl amino group.

    Selection of solvents for extractive distillation(Ⅰ)Artificial neural network model for QSPR of solvents
    SONG Haihua, ZHANG Xuegang, SONG Gaopeng
    2007, 58(8):  2010-2015. 
    Abstract ( 591 )   PDF (429KB) ( 162 )  
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    In order to select the optimum solvents of extractive distillation on the basis of molecular simulation, a mathematical model must be firstly established for describing the quantitative structure-property relationships (QSPR) of the solvents.In this paper the molecular connectivity indexes (MCI) were used to express two-dimensional molecular topological structure, which could indicate not only the kind and number of atoms or groups composing the solvent molecule but also the inter-connective characteristics among them.The major solvent properties, such as selectivity and solubility were the functions of infinite dilution activity coefficients, γ∞.Because of the extraordinary complexity between molecular structure and γ∞, an artificial neural network (ANN) model was used for the QSPR.An appropriate database was established and the back-propagation (BP) algorithm was used to train the ANN model, and the well-trained ANN model proved to be more accurate in calculating γ∞ than the prevailing UNIFAC method.

    Selection of solvents for extractive distillation(Ⅱ)Comprehensive fuzzy evaluation model
    SONG Haihua, ZHANG Xuegang, FENG Guohong
    2007, 58(8):  2016-2020. 
    Abstract ( 617 )   PDF (374KB) ( 329 )  
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    In selecting the optimum solvents of extractive distillation, multiple factors should be considered and the evaluation of these factors are often of fuzzy characteristics.In this paper a comprehensive fuzzy evaluation (CFE) model was used for choosing the solvents.At first the membership functions of factors influencing the solvent performance versus the judgment grades were determined and the fuzzy evaluation matrix, R, was given.Then the weight-distributed sets, A, were determined by multi-experts-scoring.At last, the comprehensive evaluation results were obtained based on all factors considered, and the candidate solvents were queued in the order of superiority.The CFE method was used to select the solvents of two extractive distillation processes for separating benzene/n-heptane and ethyl acetate/ethanol mixtures respectively, and the method proved to be successful with perspective industrial applications.

    CFD modeling of permeate process in 19-channel porous ceramic membranes
    PENG Wenbo, QI Hong, CHEN Gangling, ZOU Linling, XING Weihong, XU Nanping
    2007, 58(8):  2021-2026. 
    Abstract ( 869 )   PDF (3511KB) ( 463 )  
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    Based on Darcy’s law, a CFD model of permeate process in 19-channel ceramic membrane was established.The pure water flux (PWF) of ceramic membranes was predicted by the CFD model with the finite volume method.By using this method, the simulated PWF of 19-channel ceramic membrane was in good agreement with experimental results.The contributions of each channel to the total PWF of 19-channel ceramic membranes depended on the mean pore size of membrane as well as on the distance of the channel from the membrane outer surface.CFD modeling is an essential tool in designing the configuration of ceramic membrane.

    Prediction of reverse osmosis performance based on genetic algorithm and adsorption-diffusion model
    CHENG Huiwen, JI Chaoqing, XU Li
    2007, 58(8):  2027-2032. 
    Abstract ( 653 )   PDF (412KB) ( 244 )  
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    The equations of solute rejection and concentrate rate on porous membrane were deduced based on the model of absorption-diffusion.Genetic algorithm (GA) was used to simulate the performance of the membrane.The calculated parameters, such as the solute distribution coefficient, the solute diffusion coefficient and the solvent diffusion coefficient in the membrane phase for the ESPA2 membrane, were all in agreement with the measured ones of aromatic polyamide reverse osmosis composite membrane and the mean square deviation of NaCl-permeability was between 10-7 and 10-6.

    Steric-hindrance pore model for separation of uncharged solutes by nanofiltration with molecular weight cut-off as parameters
    ZHANG Xianqiu, ZHANG Linsheng, Lv Xiwu, DU Mingxia
    2007, 58(8):  2033-2037. 
    Abstract ( 1008 )   PDF (1684KB) ( 694 )  
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    A model to describe the retention of solute could reduce the need of repeated testing for each new application and be useful for understanding the separation mechanisms of nanofiltration.For uncharged solutes, the separation is achieved by sieving effect, and steric-hindrance pore(SHP)model is appropriate.But obtaining membrane pore radius (rp) from SHP model needs permeation experiments of uncharged solutes, which are difficult and burdensome.On the other hand, the molecular weight cut-off (MWC) is a concept that is strongly established in membrane field.By introducing the MWC in SHP model, the existing information about the membrane can be used, which can simplify the implementation of model.In this paper, the correlation between the Stokes radius (rs) and molecular weight (MW) was established.[HJ*4/9]Then based on the assumption that the membrane pore radius equals the Stokes radius of uncharged solute with molecular weight equal to MWC, rp and rs can be expressed as functions of MWC and MW respectively.On the basis of SHP model and Spiegler-Kedem model, a model named as MWC parameters steric-hindrance pore model (MWC-SHP) was established.Permeation experiments of aqueous solution of glucose and sucrose with spiral membrane (NF270) were conducted and the structural parameters (rp and the ratio of membrane porosity to membrane thickness) were estimated by using MWC-SHP model and SHP model respectively.The results estimated from MWC-SHP model were in agreement with SHP model.Moreover, rejection prediction of uncharged solutes by nanofiltration with MWC-SHP model was in agreement with experimental data, which showed MWC-SHP model could be applicable to the evaluation of the structure of nanofiltration membrane and rejection prediction of uncharged solutes.

    Multi-objective optimization of simulated moving bed chromatography separation based on NSGA-Ⅱ algorithm
    WU Xiandong, JIN Xiaoming, SU Hongye
    2007, 58(8):  2038-2044. 
    Abstract ( 985 )   PDF (506KB) ( 263 )  
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    The concept and method of multi-objective optimization are applied to the simulated moving bed (SMB) chromatography separation based on multi-objective evolutionary algorithm—non-dominated sorting in genetic algorithms—NSGA-Ⅱ algorithm.The moving bed chromatography separation was simulated using true moving bed (TMB) modeling strategy. Subsequently, using the separation performance parameters as the objective function, two-objective optimization problems were solved to determine the optimal operation conditions.The results showed that the non-inferior solution sets obtained by NSGA-Ⅱ were distributed uniformly and this algorithm had good convergence and robustness.The multi-objective optimization of the optimal operation conditions of the simulated moving bed facilitated the design and operation of a simulated moving bed.

    Sensor fault diagnosis approach based on structure optimized SRAMS
    FU Kechang, DAI Liankui, WU Tiejun
    2007, 58(8):  2045-2050. 
    Abstract ( 600 )   PDF (1152KB) ( 236 )  
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    Optimal design of the incidence matrix for structured residual approach with maximized sensitivity (SRAMS) is discussed in this paper, in order to overcome the shortcoming of SRAMS that ignores the speed and sensitivity of fault diagnosis while considering the isolability of fault codes in the incidence matrix design.A set of optimal design indices including fault sensitivity and fault diagnosis sensitivity were defined, based on which two design algorithms were developed.The proposed approach was tested in the sensor fault detection and diagnosis of a fluidized catalytic cracking unit,and simulation results showed that the diagnosis performance was better than original SRAMS.

    Multi-modeling of pH neutralization processes using improved k-means clustering based on new validity function
    ZHOU Lifang, ZHOU Luwen, ZHAO Yuhong
    2007, 58(8):  2051-2055. 
    Abstract ( 1086 )   PDF (470KB) ( 263 )  
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    The modeling and control of pH neutralization processes is a difficult problem in the field of process control.A multi-modeling method using an improved k-means clustering based on a new validity function is proposed in this paper.There are some common problems, including the number of clusters assumed as a priori knowledge and initial cluster centers selected randomly for classical k-means clustering.The proposed algorithm is used to compute initial cluster centers and a new validity function is added to determine the appropriate number of clusters, then partial least squares (PLS) is used to construct the regression equation for each local cluster.Simulation results showed that multiple models using the proposed algorithm gave good performance, and the feasibility and validity of the proposed algorithm was verified.

    Preparation and characterization of electrodes modified by self-assembled Prussian blue film
    HUA Hui, CHEN Yiwei, JIN Wanqin, XU Nanping
    2007, 58(8):  2056-2061. 
    Abstract ( 598 )   PDF (1684KB) ( 469 )  
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    A series of Prussian blue(PB) modified Pt electrodes with various layers were prepared by electrostatic layer-by-layer adsorption of iron(Ⅲ)and hexacyanoferrate(Ⅱ)on Pt electrodes. Scanning electron microscopy(SEM)and UV-visible spectroscopy(UV-Vis)were used to observe their morphologies and optical properties,while the electrochemical properties were determined by cyclic voltammogram(CV).The results showed that the nano-size PB film could be self-assembled on the Pt electrodes with a controlled thickness,and the UV-Vis absorbance was linear with the dipping cycles. Both soluble and insoluble Prussian blue were the components of the film. The cyclic voltammograms showed that the peak current was in proportion to the square root of scan rate and the concentration of PB. The as-prepared modified electrodes can be used as biosensors.

    α-Acetolactatedecarboxylase immobilized onto magnetic polyvinyl alcohol microspheres
    QIAN Siriguleng, WANG Hongying, LIU Yang, GENG Jinfeng, ZHU Jingying, CUI Maoxin
    2007, 58(8):  2062-2066. 
    Abstract ( 837 )   PDF (512KB) ( 379 )  
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    Magnetic polyvinyl alcohol (PVA) microspheres with 8—64 μm in diameter were prepared from PVA by dispersion and copolymerization with Fe3O4 as magnetite.There were more functional groups, such as hydroxyl and carboxyl etc. on the microsphere surface.1,1′-Carbonyldiimidazole (CDI), a carbonylating agent, was used for the activation of hydroxyl groups of PVA, and α-acetolactatedecarboxylase (ALDC) was immobilized onto the magnetic PVA microspheres by covalent bonding through the amino group.The results showed that total activity, protein binding, specific activity and activity retention of the immobilized enzyme were 63293 U·g-1, 72.67 mg·g-1, 870.96 U·mg-1and 48.71%,respectively.The optimum temperature of immobilization enzyme was 50℃ and the optimum pH was 6.0.Compared with the free enzyme of ALDC, the thermal, operational and pH stability of the immobilized enzyme were improved.After being stored at 4℃, pH 6.0 for 31 days, the immobilized ALDC retained 95.7% of its initial activity which was 8% higher than the free enzyme.

    Experimental investigation of production behavior of methane hydrate under ethylene glycol injection
    LI Gang, LI Xiaosen, TANG Liangguang, ZHANG Yu, FENG Ziping, FAN Shuanshi
    2007, 58(8):  2067-2074. 
    Abstract ( 693 )   PDF (918KB) ( 332 )  
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    This paper investigates the flow characteristics of dissociated methane gas and water from methane hydrate (MH) by ethylene glycol (EG) injection in porous sediments by utilizing a one-dimensional experimental apparatus.With the developed apparatus, the experiment was run for hydrate dissociation with the chemical inhibitor stimulation method by injecting EG solution with different concentrations and rates.The experimental result suggested that the gas production process was generally divided into four steps: initial injection, chemical inhibitor dilution, hydrate dissociation,production of remaining gas.However, the water production rate keeps nearly constant during the whole production process.Under the experimental condition, the production efficiency was affected by both EG concentration and injection rate, and it reached a maximum with the EG concentration of 60%(mass).

    Benzene decomposition by non-thermal plasma process
    WU Zuliang, GAO Xiang, LI Jiwu, SUN Peide, LUO Zhongyang, CEN Kefa
    2007, 58(8):  2075-2080. 
    Abstract ( 621 )   PDF (691KB) ( 352 )  
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    Non-thermal plasma technology is one of the most important gaseous organic pollutant treatment technologies.A new non-thermal plasma technology(corona discharge radical shower technology)was used to study benzene decomposition with the following results.Benzene was readily decomposed with the radical shower technology.The decomposition products were CO2 mainly,but a small amount of CO was generated.Increasing energy density and relative humidity of additional gas could improve the CO2/COx ratio and the extent of decomposition.With 21 W·h·m-3 energy density and 80% relative humidity of additional gas,the CO2/COx ratio and COx generation rate could reach 84.6% and 78.5%, respectively.The benzene decomposition process involved electron dissociation reaction,radical reaction and ion reformation reaction.Moreover,radical reaction was the most important.

    Effect of different types carbon sources on phosphorus release in enhanced biological phosphorus removal process
    HOU Hongxun, WANG Shuying, YAN Jun, PENG Yongzhen
    2007, 58(8):  2081-2086. 
    Abstract ( 820 )   PDF (447KB) ( 436 )  
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    Phosphorus release(P-release)is one of the important factors in enhanced biological phosphorus removal(EBPR)process,and insufficient P-release usually is the main reason for the instability of EBPR.In order to study the effect of different types of carbon sources on P-release,the effluent activated sludge of the aerobic zone of the anaerobic-anoxic-aerobic oxidation ditch process was used.Different types of carbon sources, such as acetate,propionate,glucose,ethanol and methanol were used.The main test was made though captive test with a 10 L reactor.The results indicated that:(1)In anaerobic conditions,poly P-accumulating organisms(PAOs) released P rapidly with acetate or propionate acting as carbon sources,and the specific P release rate was 290.5 and 236.7 mg P·(g VSS)-1·d-1, respectively.However with glucose,ethanol or methanol acting as carbon source,P released slowly,the specific P release rate was 49.4,38.8 and 8.91 mg P·(g VSS)-1·d-1 respectively.(2)Whereas in anoxic conditions,P release rate was just the same as the anaerobic conditions if acetate or propionate acted as carbon sources.But P was seldom released with glucose,ethanol or methanol acting as carbon source in anoxic conditions.(3)PAOs utilized NO-3 to uptake P after P-release,if original NO-3 was high enough,and acetate acted as carbon source.

    Electrocatalytic oxidation of phenol on several metal-oxide film electrodes
    WANG Yaqiong, GU Bin, XU Wenlin
    2007, 58(8):  2087-2093. 
    Abstract ( 647 )   PDF (1188KB) ( 272 )  
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    Ti/SnO2+Sb2O3, Ti/SnO2+Sb2O3/PbO2 and Ti/SnO2+Sb2O3/RuO2+PbO2 electrodes were prepared and the electrocatalytic oxidation of phenol was studied in acidic media on the electrodes by bulk electrolysis experiments under galvanostatic control.The results clearly showed that the oxidation reactions of phenol followed first-order kinetics at all of three kinds of electrodes under experimental conditions and the electrode materials produced remarkable effects on apparent reaction rate and instantaneous current efficiency (ICE) of electrocatalytic oxidation of phenol.The apparent rate constants for Ti/SnO2+Sb2O3, Ti/SnO2+Sb2O3/PbO2 and Ti/SnO2+Sb2O3/RuO2+PbO2 electrodes were 6.66×10-2 min-1, 2.49×10-2min-1 and 9.76×10-3min-1 at 25℃, respectively, and the initial ICEs were 78.7%, 38.9% and 13.2% respectively.When Ti/SnO2+Sb2O3 electrode was used as anode and the phenol solution was electrolyzed for 60 min, the concentration of phenol decreased from 2.13×10-3 mol·L-1 to 3.27×10-5mol·L-1, and the conversion of phenol reached 98.5%, but the conversion was only 82.7% and 29.8% for Ti/SnO2+Sb2O3/PbO2 and Ti/SnO2+Sb2O3/[JP3]RuO2+PbO2 electrodes, respectively.The voltammograms of the anodes in the phenol solution revealed that there was a higher oxygen evolution potential for Ti/SnO2+Sb2O3 electrode, which was beneficial to the oxidation of organic compounds.

    Numerical simulation of effect of fiber in polymeric fluid with fiber suspensions
    ZHANG Hongping, OUYANG Jie, LIU Defeng, ZHENG Supei
    2007, 58(8):  2094-2102. 
    Abstract ( 578 )   PDF (3572KB) ( 471 )  
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    For polymeric fluid with fiber suspensions,a multi-scale model was developed.The model coupled the rheologic behavior of incompressible flow field on the macro-scale,the effect of transient orientation of the fiber on the meso-scale,and the information of probability distribution of finite extensible nonlinear elastic(FENE) dumbbell model on the polymeric molecular level.The governing equations for the polymeric flow field,the composite stress,the distribution of molecular chain configurations and fiber orientation were coupled and solved simultaneously.The semi-implicit method for pressure linked equations revised and finite difference method on source term(SIMPLER-FDMS)method was used to calculate the multi-scale governing [JP2]equations.In the simulation of 4∶1 isothermal planar contraction flow,the validity of the multi-scale model was proved by the analysis of distribution of normal stress difference,shear stress,and the fiber orientation ellipse.For investigating the effects of fiber parameters on the viscoelastic behavior and fiber orientation probability of polymeric fluid with fiber suspensions,a parametric study about the fiber concentration,fiber-fiber interaction and [JP]fiber aspect ratio was conducted.

    Controlled synthesis of nano-sized TiO2 powders using high-temperature vapor phase process
    CHENG Yi, CHEN Jiaqi, DING Shi
    2007, 58(8):  2103-2109. 
    Abstract ( 619 )   PDF (1665KB) ( 343 )  
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    Controlled synthesis of nano-sized titania (TiO2) powder was performed by an improved design of a flame reactor, where titanium tetrachloride (TiCl4) was oxidized in vapor phase at high temperature conditions.By isolating the methane (CH4) flames from the injection of TiCl4, the formation of TiO2 occurred at a certain distance from the TiCl4 inlet, which accordingly avoided the scaling phenomenon often encountered in such processes.The particle diameter and its distribution could be effectively influenced by the operating conditions.The results showed that a lower precursor concentration and a higher carrier-gas flow rate benefited the production of smaller particles of TiO2.The increase of the carrier-gas flow rate resulted in the transition from laminar flow to turbulent flow and the decrease of flame length,and consequently the formation of smalle particles.With increasing flow rate of CH4, the flame, i.e., the reaction zone, enlarged, causing larger particle size owing to the longer time for the formed TiO2 to stay in the flame.While, extra oxygen supply around the center nozzle of TiCl4 could effectively reduce the particle size of TiO2, which may be attributed to the better initial mixing of TiCl4 and oxygen.The nano-sized TiO2 particles ranging from 20 nm to 80 nm on average were obtained in most of the experiments.

    Mechanism of surface control reaction and characterization of graft copolymers of acrylamide onto starch
    SHANG Xiaoqin, LAI Yaping, CHEN Zhanyun, TONG Zhangfa, JIANG Huiyi, ZHENG Cheng
    2007, 58(8):  2110-2114. 
    Abstract ( 855 )   PDF (1186KB) ( 1116 )  
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    The starch acrylamide graft copolymers (St-g-PAM) were synthesized by inverse emulsion polymerization with cassava starch and acrylamide as raw materials and ammonium persulfate as the initiator.The structures of St-g-PAM were characterized with Fourier transform infrared spectroscopy (FTIR), thermogravimetry (TG), differential scanning calorimetry (DSC), X-ray diffraction (XRD)and scanning electronic microscope (SEM).Meanwhile, the graft copolymerization mechanism in the inverse emulsion was discussed.The results showed that grafting copolymerization reaction occurred on the surface of the starch particle which was in agreement with the mechanism of surface control reaction.PAM grafted into the base of starch successfully, and the aggregation phase of raw starch was changed from semi-crystalline state to amorphous aggregation state due to the graft reaction of starch and acrylamide.However, the graft copolymerization of acrylamide onto starch did not alter the thermal stability of starch.

    Synthesis,structure and photophysical properties of pyridinium dye DEHSPI
    CAO Duxia, WANG Yuhong, CHEN Hongyu, LI Guozhong, ZHANG Guohui
    2007, 58(8):  2115-2119. 
    Abstract ( 602 )   PDF (470KB) ( 265 )  
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    A new organic pyridinium dye named as 4-[4-(N,N-diethylamino)-2-hydroxy-styryl]-N-methylpyridinium iodide(DEHSPI)has been synthesized.Its crystal structure was determined by X-ray diffraction.DEHSPI belongs to monoclinic system,C2/c space group,a=3.5970(4)nm,b=1.16270(15)nm,c=2.2081(3)nm,β=114.341(7)°,V=8.4139(18)nm3,Z=8,F(000)=3632,μ=1.536 mm-1,Dc=1.417 g·cm-3,R=0.0501.The structure analyses of DEHSPI and the dye without 2-hydroxyl group revealed that the planarity of cation backbone in DEHSPI was strongly increased by the 2-hydroxyl group.The photophysical properties of the dye in different solvents and a polymer-impregnated sol-gel composite glass were also investigated.The fluorescence intensity in the composite glass with higher concentration increased greatly as compared with that in solution and there was no fluorescence quenching based on the aggregation of molecules in high concentration.The dye had higher stability in the composite glass.

    Effects of additive on product quality of seed precipitation in sodium aluminate solution
    WANG Xihui, YU Haiyan, WU Yusheng, BI Shiwen, CHEN Yuguo
    2007, 58(8):  2120-2124. 
    Abstract ( 775 )   PDF (1190KB) ( 338 )  
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    The effect of an additive prepared from fatty acid surface active agent and heneicosane on two-stage seed precipitation process and Al2O3 production was studied.The results showed that the additive,with concentration of 60×10-6g·L-1,enhanced remarkably the precipitation process and improved the quality of Al(OH)3 and Al2O3.The precipitation rate of sodium aluminate solution increased by 2%,and the percentage of <45μm particles of Al(OH)3 and Al2O3 reduced by about 7% and 6.7%, respectively by adding the additive.The SEM photographs indicated that the additive could accelerate growth,agglomeration of Al(OH)3 particles and the Al(OH)3 particles were in the shape of globular crystals.The mechanism of additive effect was also studied.

    Numerical simulation of migration of chemical substances from plastic food packaging materials into foods
    LIU Zhigang, WANG Zhiwei
    2007, 58(8):  2125-2132. 
    Abstract ( 552 )   PDF (654KB) ( 360 )  
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    The US Food and Drug Administration (FDA) and European Commission (EC) have carried out theoretical and experimental researches on migration of chemical substances.Migration of chemical substances from plastic packaging materials into foods contaminates foods and finally endangers people’s health, and has been widely studied and discussed.Numerical simulation of migration of chemical substances (migrants) from plastic food packaging materials into foods and the instability of migrants in foods were performed by using the finite difference method (FDM).The results showed that the diffusivity of migrants DP was key to migration dynamics.Partition coefficient KP,F represents the ratio of migrant concentration in packaging materials to that in foods at equilibrium.The concentration of migrants in foods at equilibrium increased with the increase of its initial concentration in packaging materials.For multilayer packaging, functional barrier layer was able to efficiently delay migration and assure food safety.The thickness of barrier layers influenced the barrier effect and then the ability to protect foods from contamination.The instability of migrants in foods is a problem newly found and leads to underestimation of migration.

    Preparation method and experimental apparatus of microcapsules by using microfluids digitalization technology
    ZHANG Xiaole, HOU Liya, ZHANG Weiyi
    2007, 58(8):  2133-2137. 
    Abstract ( 743 )   PDF (934KB) ( 228 )  
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    A new method of preparing monodisperse microcapsules was proposed on the basis of digitalization of microfluids technology.By employing this method, the microcapsule material was divided into micro-droplets, digitally transported and jetted by means of disturbing micropipette with controllable pulse inertial force.In the experiments, sesame oil was microencapsulated with sodium alginate.In the process of microencapsulation, every disturbing pulse produced a single emulsion-solvent droplet.The rhythm of microencapsulation could be either sequential or encoded, therefore the process of microencapsulation could be effectively controlled.By changing the inside diameter of the micropipette, standardized microcapsules of different micron scale sizes were produced, and the size distribution was narrow.The number of microcapsules could be calculated by counting the time.

    Microstructure and flocculation properties of hydrophobically associating acrylamide-modified cationic copolymer
    ZHONG Chuanrong, HE Wenqiong, LAI Li, LUO Pingya
    2007, 58(8):  2138-2143. 
    Abstract ( 800 )   PDF (1021KB) ( 419 )  
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    The hydrophobically associating copolymers,poly (BS/AM/DMDAAC)(PBAD) were synthesized from acrylamide (AM),butyl styrene (BS) and dimethyldiallyammonium chloride (DMDAAC) by the micellar free radical copolymerization technique.The copolymers were characterized with UV and FT-IR.The atomic force microscope(AFM) measurement showed that aggregates had been formed in the aqueous solution of 0.005 g.dl-1 PBAD, and with the increase of PBAD concentration, the number and size of aggregates increased due to the intermolecular hydrophobic association of butylphenyl groups.The optimum flocculant concentration of PBAD was 0.005 g·dl-1 in the aqueous solution of 3% diatomite and the transmittance was 96.5%.The NaCl concentration obviously influenced the bridging and adsorption behavior of the copolymer for celite suspensions, and calcium and aluminium ions strengthened the flocculation effect of the polymer.

    材料化学工程与纳米技术

    Ultrasonic synthesis of poly (β-alkoxy,naphthalene vinylene)

    2007, 58(8):  2144-2148. 
    Abstract ( 587 )   PDF (859KB) ( 261 )  
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    Poly (β-alkoxy,naphthalene vinylene) (PAONV) was synthesized from β-naphthol and H(CH2)mBr(m=4,6,8,9) under ultrasonic irradiation.The influences of reaction conditions on the yield of intermediates and polymers were studied.The structure of intermediates and polymers were characterized with IR and 1H NMR spectroscopy.These results showed that the total yield of PAONV under ultrasonic irradiation was 70.0%—74.4%,higher than that under reflux stirring.The reaction time was shortened from 35 h to 20 h.The yield of etherification in the C2H5ONa system was higher than that in the NaOH system.The dimetyl sufoxide as a strong polar solvent favored the yield of dehydrochlorination.The best reaction times of etherification, chloromethylation, dehydrochlorination were 5 h,5 h,10 h,respectively.