Please wait a minute...
SCI和EI收录∣中国化工学会会刊
[an error occurred while processing this directive]
Table of Content
28 June 2007, Volume 15 Issue 3
    REACTION KINETICS, CATALYSIS
    Investigation of Cathode Catalysts for Intermediate-temperature
    H2S-Air Fuel Cells
    ZHONG Li, LUO Jingli, K.Chuang
    2007, 15(3):  305-308.  doi:
    Abstract ( )   PDF (171KB) ( )  
    References | Related Articles | Metrics

    Cathode catalysts comprising composite NiO, NiO-Pt, or LiNiO2 have been developed for electrochemical oxidation of hydrogen sulfide in intermediate-temperature solid oxide fuel cells (ITSOFCs). All catalysts exhibited good electrical conductivity and catalytic activity at operating temperature. Composite NiO catalysts were found to be more active and have lower over potential and higher current density than pure Pt although the electrical conductivity of NiO itself is lower than that of Pt. This problem has been overcome by either admixing as high as 10% (by mass) Ag powder into NiO cathode layer or using composite NiO catalysts such as NiO-Pt and LiNiO2 catalysts. Composite catalysts like NiO with Ag, electrolyte and starch admixed, NiO-Pt, which was prepared from a mixture of NiO and Pt powders, by admixing electrolyte and starch, and LiNiO2, which is derived from the reac-tion of LiOH?H2O and NiO with electrolyte and starch admixed have been shown to be feasible and effective in an intermediate-temperature H2S-air fuel cell. A fuel cell using Li2SO4-based proton-conducting membrane as electro-lyte, metal sulfides as anode catalysts, and composite NiO as cathode catalysts produced a maximum current density about 300mA?cm-2 and maximum power density over 80 mW?cm-2 at 680℃.

    Secondary Cracking of Gasoline and Diesel from Heavy Oil Catalytic Pyrolysis
    LIU Zhichang, MENG Xianghai, XU Chunming, GAO Jinsen
    2007, 15(3):  309-314.  doi:
    Abstract ( )   PDF (249KB) ( )  
    References | Related Articles | Metrics
    This paper investigated the secondary cracking of gasoline and diesel from the catalytic
    pyrolysis of Daqing atmospheric residue on catalyst CEP-1 in a fluidized bed reactor. The
    results show that the secondary cracking reactivity of gasoline and diesel is poor, and the
    yield of total light olefins is only about 10% (by mass). As reaction temperature
    increases, ethylene yield increases, butylene yield decreases, and propylene yield shows a
    maximum. The optimal reaction temperature is about 670℃ for the production of light
    olefins. With the enhancement of catalyst-to-oil mass ratio and steam-to-oil mass ratio,
    the yields of light olefins increase to some extent. About 6.30% of the mass of total
    aromatic rings is converted by secondary cracking, indicating that aromatic hydrocarbons
    are not easy to undergo ring-opening reactions under the present experimental conditions.
    Preliminary Study on the Vaporization Ratio of the Slurry in the Residue Fluid Catalytic
    Cracking Disengager
    YAN Pingxiang, LAN Xingying, XU Chunming, GAO Jinsen
    2007, 15(3):  315-319.  doi:
    Abstract ( )   PDF (171KB) ( )  
    References | Related Articles | Metrics
    The vaporization ratios of the slurry at various temperature and partial pressure were
    calculated with the group-contribution method, and then the phase state of the slurry in
    the residue fluid catalytic cracking (RFCC) disengager was determined. This research could
    provide some advices on how to select the technological conditions to decrease the coking
    in the RFCC disengager. The oil gas temperature and the slurry partial pressure had
    signifi-cant effects on the vaporization ratio of the slurry. Increasing the oil gas
    temperature and reducing the slurry partial pressure could effectively slow down the coking
    speed in the RFCC disengager. According to the calculation results, a correlation was
    established to predict the vaporization ratio of the slurry under different operating
    conditions.
    Peracetic acid synthesis by acetaldehyde liquid phase oxidation in trickle bed reactor
    ZHANG Tengyun, LUO Jingli, K.Chuang, ZHONG Li
    2007, 15(3):  320-325.  doi:
    Abstract ( )   PDF (375KB) ( )  
    References | Related Articles | Metrics
    In this paper, shorter residence time (a few minutes) with high yield in the trickle bed
    process for peracetic acid synthesis by acetaldehyde liquid phase oxidation can be realized
    on the selected packing material SA-5118. For acetaldehyde in acetone with ferric ion as
    catalyst, the optimized process conditions were presented. The main factors influencing the
    yield, selectivity and conversion are residence time, temperature and acetaldehyde
    concentration, respectively. The temperature range checked is from 30 to 65℃. High yield
    of 81.53% with high se-lectivity of 91.84% can be obtained at higher temperature of 55℃
    when the residence time is 5.5min and the acet-aldehyde concentration is 9.85% (by mass).
    And there is a critical acetaldehyde concentration point (Cccp) between 18% and 19.5% (by
    mass). At temperature less than 55℃, the highest yield to peracetic acid at each
    temperature level increases with temperature when the acetaldehyde concentration is below
    Cccp and decreases with temperature when the acetaldehyde concentration is above Cccp.
    Kinetic Model and Simulation Analysis for Toluene Disproportionation and C9-Aromatics
    Transalkylation
    XU Ouguan, SU Hongye, JI Jianbing, JIN Xiaoming, CHU Jian
    2007, 15(3):  326-332.  doi:
    Abstract ( )   PDF (276KB) ( )  
    References | Related Articles | Metrics
    A new kinetic model for commercial unit of toluene disproportionation and C9-armatiocs
    transalkylation is developed based on the reported reaction scheme. A time based catalyst
    deactivation function taking weight hourly space velocity (WHSV) into account is
    incorporated into the model, which reasonably accounts for the loss in activity because of
    coke deposition on the surface of catalyst during long-term operation. The kinetic
    parameters are benchmarked with several sets of balanced plant data and estimated by the
    differential variable metric optimization method. Sets of plant data at different operating
    conditions are applied to make sure validation of the model and the results show a good
    agreement between the model predictions and plant observations. The simulation analysis of
    key variables such as temperature and WHSV affecting process performance is discussed in
    detail, giving the guidance to select suitable operating conditions.
    TRANSPORT PHENOMENA & FLUID MECHANICS
    Dynamic simulation of shear-induced particle migration in a two-dimensional circular
    Couette device
    YU Zhaosheng, SHAO Xueming, R.Tanner
    2007, 15(3):  333-338.  doi:
    Abstract ( )   PDF (632KB) ( )  
    References | Related Articles | Metrics
    The shear-induced migration of neutrally-buoyant non-colloidal circular particles in a two
    -dimensional circular Couette flow is investigated numerically with a distributed Lagrange
    multiplier based fictitious domain method. The effects of inertia and volume fraction on
    the particle migration are examined. The results indicate that inertia has a negative
    effect on the particle migration. In consistence with the experimental observations, the
    rapid migration of particles near the inner cylinder at the early stage is observed in the
    simulation, which is believed to be related to the chain-like clustering of particles. The
    migration of circular particles in a plane Poiseuille flow is also examined in order to
    further confirm the effect of such clustering on the particle migration at early stage.
    There is tendency for the particles in the vicinity of outer cylinder in the Couette device
    to pack into concentric rings at late stage in case of high particle concentration.
    Voidage measurement of gas-oil two-phase flow
    WANG Weiwei
    2007, 15(3):  339-344.  doi:
    Abstract ( )   PDF (209KB) ( )  
    References | Related Articles | Metrics
    A new method for the voidage measurement of gas-oil two-phase flow was proposed. The
    voidage measurement was implemented by the identification of flow pattern and a flow
    pattern specific voidage measurement model. The flow pattern identification was achieved by
    combining the fuzzy pattern recognition technique and the crude cross-sectional image
    reconstructed by the simple back projection algorithm. The genetic algorithm and the
    partial least square method were applied to develop the voidage measurement models.
    Experimental results show that the proposed method is effective. It can overcome the
    influence of flow pattern on the voidage measurement, and also has the advantages of
    simplicity and speediness.
    SEPARATION SCIENCE & ENGINEERING
    Numerical simulation of separating gas mixtures via hydrate formation in bubble column
    LUO Yantuo, ZHU Jianhua, CHEN Guangjin
    2007, 15(3):  345-352.  doi:
    Abstract ( )   PDF (365KB) ( )  
    References | Related Articles | Metrics
    To develop a new technique for separating gas mixtures via hydrate formation, a set of
    medium-sized experimental bubble column reactor equipment was constructed. On the basis of
    the structure parameters of the experimental bubble column reactor, assuming that the
    liquid phase was in the axial dispersion regime and the gas phase was in the plug flow
    regime, in the presence of hydrate promoter tetrahydrofuran (THF), the rate of hydrogen
    enrichment for CH4+H2 gas mixtures at different operational conditions (such as
    temperature, pressure, concentration of gas components, gas flow rate, liquid flow rate)
    were simulated. The heat product of the hydrate reaction and its axial distribution under
    different operational conditions were also calculated. The results would be helpful not
    only to setting and optimizing operation conditions and design of multi-refrigeration
    equipment, but also to hydrate separation technique industrialization.
    SYSTEM ENGINEERING
    Isolation of whole-plant multiple oscillations via non-negative spectral decomposition
    XIA Chunming, ZHENG Jianrong, J.Howell
    2007, 15(3):  353-360.  doi:
    Abstract ( )   PDF (427KB) ( )  
    References | Related Articles | Metrics
    Constrained spectral non-negative matrix factorization (NMF) analysis of perturbed
    oscillatory process control loop variable data is performed for the isolation of multiple
    plant-wide oscillatory sources. The technique is described and demonstrated by analyzing
    data from both simulated and real plant data of a chemical process plant. Results show that
    the proposed approach can map multiple oscillatory sources onto the most appropriate
    control loops, and has superior performance in terms of reconstruction accuracy and
    intuitive understanding compared with spectral independent component analysis (ICA).
    Synthesis of water utilization system using concentration interval analysis method (Ⅰ)
    Non-mass-transfer-based operation
    LIU Yongjian, YUAN Xigang, LUO Yiqing
    2007, 15(3):  361-368.  doi:
    Abstract ( )   PDF (209KB) ( )  
    References | Related Articles | Metrics
    A strategy for water and wastewater minimization is developed for continuous water
    utilization systems involving fixed flowrate (non-mass-transfer-based) operations, based on
    the fictitious operations that is introduced to represent the water losing and/or
    generating operations and a modified concentration interval analysis (MCIA) technique. This
    strategy is a simple, nongraphical, and noniterative procedure and is suitable for the
    quick yields of targets and the identification of pinch point location. Moreover, on the
    basis of the target method, a heuristic-based approach is also presented to generate water
    utilization networks, which could be demonstrated to be optimum ones. The proposed
    approaches are illustrated with example problems.
    Synthesis of water utilization system using concentration interval analysis method (Ⅱ)
    Discontinuous process
    LIU Yongjian, YUAN Xigang, LUO Yiqing
    2007, 15(3):  369-375.  doi:
    Abstract ( )   PDF (189KB) ( )  
    References | Related Articles | Metrics
    The first part of the series of this article proposed a systematic method for the synthesis
    of continuous water-using system involving both non-mass-transfer-based and mass-transfer-
    based operations. This article, by extending the method, proposes a time-dependent
    concentration interval analysis (CIA) method to solve the problems associated with the
    synthesis of discontinuous or batch water-using systems involving both non-mass-transfer-
    based and mass-transfer-based operation. This method can effectively identify the
    possibility of water reuse and the amount of water reused under time constraints for
    minimizing the consumption of freshwater in single or repeated batch/discontinuous water-
    using systems. Moreover, on the basis of the heuristic method adapted from concentra-tion
    interval analysis method for the continuous process network design, the network design for
    the discontinuous or batch process can be obtained through the designs for every time
    interval. Case study illustrates that the method presented in this article can
    simultaneously minimize the freshwater consumption in single or repeated
    batch/discontinuous water system and can determine a preferable storage tank capacity for
    some problems.
    THERMODYNAMICS AND CHEMICAL……
    Experiment and modeling of pure and binary adsorption of n-butane and butene-1 on ZSM-5
    zeolites with different Si/Al ratios
    WANG Fei, WANG Wenchuan, HUANG Shiping, TENG Jiawei, XIE Zaiku
    2007, 15(3):  376-386.  doi:
    Abstract ( )   PDF (336KB) ( )  
    References | Related Articles | Metrics
    Four ZSM-5 zeolite catalysts with different Si/Al ratios for the catalytic cracking of C4
    fractions to produce ethylene and propylene were prepared in this study. First, the
    adsorption isotherms of pure n-butane and butene-1 and their mixtures on these catalysts at
    300K and p=0—100kPa were measured using the intelligent gravimetric analyzer. The
    experimental results indicate that the presence of Al can significantly affect the
    adsorption of butene-1 than that of n-butane on ZSM-5 zeolites. Then, the double Langmuir
    (DL) model was applied to study the pure gas adsorption on ZSM-5 zeolites for pure n-butane
    and butene-1. By combining the DL model with the ideal adsorbed solution theory (IAST), the
    IAST-DL model was applied to model the butene-1 (1)/n-butane (2) binary mixture adsorption
    on ZSM-5 zeolites with different Si/Al ratios. The calculated results are in good agreement
    with the experimental data, indicating that the IAST-DL model is effective for the present
    systems. Finally, the adsorption over a wide range of variables was predicted at low
    pressure and 300K by the model proposed. It is found that the selectivity of butene-1 over
    n-butane increases linearly with the decrease of Si/Al ratio. A correlation between the
    selectivity and Si/Al ratio of the sample was proposed at 300K and p=0.08MPa.
    BIOTECHNOLOGY & BIOENGINEERING
    Production of indigo by immobilization of E. coli BL21 (DE3) cells in calcium-alginate gel
    capsules
    LU Yan, MEI Lehe
    2007, 15(3):  387-390.  doi:
    Abstract ( )   PDF (149KB) ( )  
    References | Related Articles | Metrics
    The ability of catalyzing indole into indigo of gene engineering strain expressing P450 BM3
    immobilized by entrapment in calcium-alginate gel capsules was examined, and various
    characteristics of immobilized cells were assessed. Optimum conditions for cells activity
    were not affected after immobilization, and pH and temperature for both free and
    immobilized cells were found to be pH 7.5 and 35℃, respectively. The immobilized cells
    exhibited a markedly improved thermal stability than free cells. After five repeated
    experiments, the yield of indigo with the immobilized cells retained over 94% of their
    original activity, which indicated that the operational stability for recycling in batch
    processes was improved.
    Biosynthesis and characterization of polyhydroxyalkanoate copolyesters in Ralstonia
    eutropha
    PHB4 harboring a low-substrate-specificity PHA synthase PhaC2Ps from Pseudomonas
    stutzeri
    1317
    CHEN Jingyu, ZHANG Lei, CHEN Jinchun, CHEN Guoqiang
    2007, 15(3):  391-396.  doi:
    Abstract ( )   PDF (135KB) ( )  
    References | Related Articles | Metrics
    A series of polyhydroxyalkanoate (PHA) copolymers consisting of short-chain-length (SCL)
    and medium-chain-length (MCL) 3-hydroxyalkanoate (3HA) monomers were synthesized in the
    recombinant Ralstonia eutropha PHB-4 harboring a low-substrate-specificity PHA synthase
    PhaC2Ps from Pseudomonas stutzeri 1317. These polyesters, whose monomer compositions varied
    widely in chain length, were purified and characterized by acetone fractionation, nuclear
    magnetic resonance (NMR), gel-permeation chromatography (GPC), and differential scanning
    calorimetry (DSC). This was the first time that the physical properties of PHA copolymers
    polymerized by PhaC2Ps were characterized. The results indicated that the variation in MCL
    3HA contents did not have an obvious influence on the molecular weights of these PHA
    copolymers but was effective in changing their physical properties. The variation in the
    thermal property of PHA copolymers with 3-hydroxyoctanoate (3HO) content was also inves-
    tigated in this study.
    Transdermal drug delivery by electroporation: The effects of surfactants on pathway
    lifetime and drug transport
    JIANG Guoqiang, ZHU Dequan, ZAN Jia, DING Fuxin
    2007, 15(3):  397-402.  doi:
    Abstract ( )  
    References | Related Articles | Metrics
    Electroporation creates aqueous pathways by short high-voltage pulses resulting in a
    transient permeabilization of stratum corneum and an increase in the transdermal delivery
    rate. However the aqueous pathways will reseal after pulsing, which leads to the rapid drop
    of transdermal flux. In the present study, the surfactants were added to the donor solution
    to hinder the shrinkage and resealing of the electropore, and to prolong the lifetime of
    the aqueous pathways with the consideration that the surfactants could reduce the surface
    energy of the electropore. These effects of surfactants were demonstrated by the dynamic
    electrical resistance of the skin and the fluorescent imaging of the local transport
    regions. Piroxicam (PIX) was transported percutaneously in the presence of surfactants in
    vitro. Owing to the longer lifetime of aqueous pathways, together with the promotion of PIX
    availability at the barrier exterior and the improvement in the partition of PIX into the
    aqueous pathways, the presence of surfactants led to a remarkable increase in the
    transdermal delivery rate during electroporation and a significant growth of the
    accumulative transdermal amount of PIX.
    Nitrogen sources affect streptolydigin production and related secondary metabolites
    distribution of Streptomyces lydicus AS 4.2501
    LI Liangzhi, QIAO Bin, YUAN Yingjin
    2007, 15(3):  403-410.  doi:
    Abstract ( )   PDF (276KB) ( )  
    References | Related Articles | Metrics
    The effects of nitrogen sources on streptolydigin production and distribution of secondary
    metabolites were investigated for flask cultured S. lydicus AS 4.2501. When peptone,
    asparamide, and glutamic acid were examined as the nitrogen source, respectively, liquid
    chromatography-mass spectrometry (LC-MS) and photodiode array (PDA) analyses revealed the
    formation of two analogues of streptolydigin in the fermentation broth. When soybean meal
    was used as the source of nitrogen, three analogues of streptolydigin were detected. The
    use of ammonium sulfate as a source of nitrogen resulted in a lower pH value of the
    fermentation system, thus inhibiting streptolydigin biosynthesis and changing the metabolic
    profiling. Among the nitrogen sources that were made use of, glutamic acid was most
    favorable to the formation of streptolydigin. Simultaneously, this study also showed that
    the changing nitrogen sources resulted in altering the production and relative ratios of
    streptolydigin and its analogues.
    Development and experimental evaluation of a steady-state model for the step-feed
    biological nitrogen removal process
    ZHU Guibing, PENG Yongzhen, WANG Shuying, ZUO Jinlong, WANG Yayi, GUO Jianhua
    2007, 15(3):  411-417.  doi:
    Abstract ( )   PDF (217KB) ( )  
    References | Related Articles | Metrics
    In this article, a steady-state mathematical model was developed and experimentally
    evaluated to investigate the effect of influent flow distribution and volume ratios of
    anoxic and aerobic zones in each stage on the total nitrogen concentration of the effluent
    in the step-feed biological nitrogen removal process. Unlike the previous modeling methods,
    this model can be used to calculate the removal rates of ammonia and nitrate in each stage
    and thereby predict the concentrations of ammonia, nitrate, and total nitrogen in the
    effluent. To verify the simulation results, pilot-scale experimental studies were carried
    out in a four-stage step feed process. Good correlations were achieved between the measured
    data and the simulation results, which proved the validity of the developed model. The
    sensitivity of the model predictions was analyzed. After verification of the validity, the
    step feed process was optimally operated for five months using the model and the criteria
    developed for the design and operation. During the pilot-scale experimental period, the
    effluent total nitrogen concentrations were all below 5mg•L-1, with more than 90% removal
    efficiency.
    PROCESS AND PRODUCT TECHNOLOGY
    Synthesis, properties and application of a novel epoxidized soybean oil-toughened phenolic
    resin
    SITU Yue, HU Jianfeng, HUANG Hong, FU Heqing, ZENG Hanwei, CHEN Huanqin
    2007, 15(3):  418-423.  doi:
    Abstract ( )   PDF (270KB) ( )  
    References | Related Articles | Metrics
    A novel epoxidized soybean oil-toughened-phenolic resin (ESO-T-PR) has been synthesized by
    etherification graft and multi-amine curing ESO. Fourier transform infrared spectroscopy
    (FTIR) was adopted to investigate its molecular structure and scan electron microscope
    (SEM) was used to observe the micro morphology of its impact fracture surface. This ESO-T-
    PR was adopted as the matrix resin to prepare paper copper clad laminate (P-CCL) and the
    properties of resulting P-CCL are found superior to the related Chinese National Standard.
    The toughing mechanism was investigated by comparing the impact strength, solderleaching
    resistance, flexural strength, peeling strength and morphology of this ESO-T-PR with those
    of other two ESO modified phenolic resins. It is demonstrated that during the synthesizing
    process of ESO-T-PR, the phenol hydroxyl is etherified by ESO or ESO epoxy resin prepolymer
    (ESO chain extension polymer) and the long ESO epoxy resin chain segments enhance the
    crosslink density of ESO-T-PR and consequently improve the impact toughness and
    solderleaching resistance of P-CCL made of ESO-T-PR. The ESO-T-PR is a cheap matrix resin
    with excellent properties to make P-CCL (elec-tric guide board).
    An innovated tower-fluidized bed prilling process
    WU Yuan, BAO Chuanping, ZHOU Yuxin
    2007, 15(3):  424-428.  doi:
    Abstract ( )   PDF (289KB) ( )  
    References | Related Articles | Metrics
    Cooling-solidification of sprayed droplets is one of major methods for prilling of melt.
    Traditionally, this is carried out in an empty tower, and the equipment requirement for
    producing larger particles is very high, resulting in not only significant cost increasing
    but also difficulties in transporting melt etc. Based on analysis and simulation, a new
    prilling process is developed for the melt prilling, which combines a tower with a
    fluidized bed so that the height of equipment is greatly decreased, and it exhibits
    satisfactory performance in industrial application. Mathematical model for tower prilling,
    its simulated results, the structure of the equipment for the innovated prill-ing process
    and its application are addressed.
    Study on the properties of microcapsulated chlorocyclophosphazene polypropylene composites
    LIU Yaqing, ZHAO Guizhe
    2007, 15(3):  429-432.  doi:
    Abstract ( )   PDF (218KB) ( )  
    References | Related Articles | Metrics
    Microcapsulated chlorocyclophosphazenes were synthesized, and then microcapsulated
    chlorocyclo-phosphazene/polypropylene(PP) composites were prepared. The results showed that
    microcapsulated chlorocyclo-phosphazene had good high thermal stability through
    thermogravimetric analysis (TGA). The flammability and mechanical properties of
    microcapsulated chlorocyclophosphazene/polypropylene composites were investigated by
    limiting oxygen index experiment, UL 94V flame retardancy test, cone calorimetry, tensile
    experiment, and impact test, respectively. It was shown that the microcapsulated
    chlorocyclophosphazene/PP composites had better tensile strength, impact strength, flame
    retardant properties and smoke suppress properties compared with chlorocyclo-phosphazene/PP
    composites.
    The morphology, phase composition and effect of corrosion product on simulated
    archaeological iron
    WANG Zise, XU Chunchun, CAO Xia, XU Ben
    2007, 15(3):  433-438.  doi:
    Abstract ( )   PDF (575KB) ( )  
    References | Related Articles | Metrics
    The immersion corrosion of archaeological iron in solution (0.06mol•L-1 NaCl+0.03mol•L-1
    Na2SO4+ 0.01mol•L-1 NaHCO3) simulating soil water composition was presented. The evolution
    of archaeological iron from iron to iron oxide and to iron oxy-hydroxides compounds was
    investigated by scanning electron microscope (SEM) and X-ray diffraction (XRD) analysis.
    According to the morphology, phase composition, and transformation process, the
    contributions of each corrosion product to archaeological iron were discussed.
    REVIEWS
    Progress in the study on the phase equilibria of the CO2-H2O and CO2-H2O-NaCl systems
    JI Yuanhui, JI Xiaoyan, FENG Xin, LIU Chang, LÜ, Linghong, LU Xiaohua
    2007, 15(3):  439-448.  doi:
    Abstract ( )   PDF (321KB) ( )  
    References | Related Articles | Metrics
    To study the feasibility of CO2 geological sequestration, it is needed to understand the
    complicated multiple-phase equilibrium and the densities of aqueous solution with CO2 and
    multi-ions under wide geological conditions (273.15—473.15K, 0—60MPa), which are also
    essential for designing separation equipments in chemical or oil-related industries. For
    this purpose, studies on the relevant phase equilibria and densities are reviewed and ana-
    lyzed and the method to improve or modify the existing model is suggested in order to
    obtain more reliable pre-dictions in a wide temperature and pressure range. Besides, three
    different models (the electrolyte non random two-liquid (ELECNRTL), the electrolyte NRTL
    combining with Helgeson model (ENRTL-HG), Pitzer activity co-efficient model combining with
    Helgeson model (PITZ-HG)) are used to calculate the vapor-liquid phase equilib-rium of CO2
    -H2O and CO2-H2O-NaCl systems. For CO2-H2O system, the calculation results agree with the
    experi-mental data very well at low and medium pressure (0—20MPa), but there are great
    discrepancies above 20MPa. For the water content at 473.15K, the calculated results agree
    with the experimental data quite well. For the CO2-H2O-NaCl system, the PITZ-HG model show
    better results than ELECNRTL and ENRTL-HG models at the NaCl concentration of 0.52mol•L-1.
    Bur for the NaCl concentration of 3.997mol•L-1, using the ELECNRTL and ENRTL-HG models
    gives better results than using the PITZ-HG model. It is shown that available experimental
    data and the thermodynamic calculations can satisfy the needs of the calculation of the
    sequestration capacity in the temperature and pressure range for disposal of CO2 in deep
    saline aquifers. More experimental data and more accu-rate thermodynamic calculations are
    needed in high temperature and pressure ranges (above 398.15K and 31.5MPa).
    RESEARCH NOTES
    Solid-liquid equilibria of trans-1,2-cyclohexanediol+butyl acetate+water ternary system
    ZHOU Cairong, SHI Xiaohua, WANG Haifeng, GAO Yuguo, JIANG Denggao
    2007, 15(3):  449-452.  doi:
    Abstract ( )   PDF (198KB) ( )  
    References | Related Articles | Metrics
    Using a laser observation technique, the solubilities of trans-1,2-cyclohexanediol in butyl
    acetate + water were measured at the temperature range from 298.15K to 323.15K by a
    synthetic method at atmospheric pressure. It is shown that the solubilities of trans-1,2-
    cyclohexanediol in butyl acetate + water were affected greatly by the proportion of butyl
    acetate and water, and presented maximum value at given temperature. The UNIFAC model was
    used to correlate the experimental data. The average relative deviation (ARD) between
    experimental and cal-culated values is 3.03%.
    Toluene oxyfunctionalization with air over metalloporphyrins and reaction condition
    optimization
    LI Yongfei, YAN Xuhui, JIANG Guofang, LIU Qiang, SONG Jianxin, GUO Cancheng
    2007, 15(3):  453-457.  doi:
    Abstract ( )   PDF (152KB) ( )  
    References | Related Articles | Metrics
    Catalytic activities of a series of metalloporphyrin complexes in selective aerobic
    oxidation of toluene were investigated. The effects of different central metal ions in
    metalloporphyrins [T(p-Cl)PPMCl (M=Fe,Co,Mn,Cu)] on the reaction course had been examined
    and it was found that T(p-Cl)PPCu presented the highest catalytic activity in the reaction.
    The reaction conditions of toluene oxidation were optimized by using orthogonal experiment
    design. Five relevant factors were investigated: temperature, air pressure, catalyst
    loading, air flow rate and reaction time. The effects of the five factors on both toluene
    conversion and total yield of benzaldehyde and benzyl alcohol were discussed. The research
    results showed that the reaction temperature was the most significant factor influencing
    toluene oxidation. On the basis of the margin analysis, the optimum conditions for the
    toluene conversion and the total yield of benzaldehyde and benzyl alcohol respectively were
    achieved, under which the toluene conversion was up to 14.67% and the total yield of
    benzaldehyde and benzyl alcohol reached 5.89%.
    Microwave-assisted synthesis of modified polyaspartic acid in solvent
    ZHANG Yuling, HUANG Junli, CHENG Zhihui, YANG Shilin
    2007, 15(3):  458-462.  doi:
    Abstract ( )   PDF (229KB) ( )  
    References | Related Articles | Metrics
    Polyaspartic acid (PASP) is suitable for the inhibition of scale deposition from water. To
    enhance its inhibition efficiency, PASP was modified by reacting aspartic acid (Asp) with
    glutamic acid (Glu) to provide Asp-Glu copolymer under microwave irradiation. The influence
    of reaction parameters on conversion, molecular weight and inhibition of CaCO3
    precipitation was investigated Infra-red. (IR), 1H nuclear magnetic resonance (1H NMR) and
    13C nuclear magnetic resonance (13C NMR) spectroscopies were used to characterize the
    copolymer. The results show that copolymerization of aspartic acid and glutamic acid is
    catalyzed by a small amount of phosphorous acid (H3PO4) in solvent, the product conversion
    is 98.05% under the following conditions: the molar ratio of glutamic acid to reactant
    [Glu/(Asp+Glu)] is 0.3 and that of catalyst (Cat) to reactant [Cat/(Glu+Asp)] is 0.05
    (0.65ml H3PO4), the volume of solvent dimethylformamide is 16ml, the microwave power used
    is 720W and the reaction for 3 min. The weight average molecular weight of copolymer
    synthesized under these conditions is 2709 and the inhi-bition rate for CaCO3 is 97.75%.