Preparation Process of Intermetallic Compound SbSn and Its Desulfurization Performance
G UO Ning,YUN Zhi
2007, 20 (1): 1-4.
Abstract ( ) PDF ( 182KB ) ( ) 　　
        The influence of quench speed, twice melting , melting time and adding NaCl on structures and desulfurization performance of intermetallic compound SbSn was studied. The results show that at the condition of 30 V and 400 A, the composition of trigonal system crystal structure increases and its desulfurization performance is also enhanced with the increase of quench speed ;after twice melting , the lustration of melting material is increased , therefore crystalline grain and degree of crystal are decreased and the desulfurization performance becomes worse during rapid cooling . The uniformity of SbSn mate rial is fortified , the desulfurization performance gets better with the increase of melting time. The addition of NaCl could increase the degree of crystal and desulfurization performance during the melting process. Thiophene and ethanethiol were used as model compounds to study the mechanism of desulfurization. The result shows thiophene can be absorbed on the surface of SbSn and the C - S of ethanethiol can be broken in reaction.
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Preparation and Catalytic Performance of SO^{2 -}₄ /ZrO₂ - SiO₂ Solid Superacid
LU Guan - zhong, SU Yong,ZHANG S hun - hai, MAO Do ng - sen
2007, 20 (1): 5-8.
Abstract ( ) PDF ( 177KB ) ( ) 　　
　        A solid superacid catalyst , SO2 -4 /ZrO2 - SiO2 , was prepared by impregnating the Zr(OH)4 - Si(OH)4 co precipitate with a sulfuric acid solution, then drying and calcinating , in which the Zr(OH)4 - Si(OH)4 coprecipitate was prepared with zirconium oxychloride as zirconia sources, silica solution as silica sources and aqueous ammonia as precipitant , respectively , then drying at 110 ℃. The results from XRD and surface area measurements indicate that the addition of SiO2 strongly changes the structure of SO2 -4 /ZrO2 , hence greatly increases its surface area. The effect of preparation conditions such as concentration of sulfuric acid and calcination temperature on the catalytic performance of SO2 -4 /ZrO2 - SiO2 substituted for sulfuric acid for the esterification of n - butanoic acid with n - butyl alcohol was studied. The results show that the yield of butyricbutyl using the SO2-4 /ZrO₂ - SiO₂ catalyst prepared with the concentration of H2 SO4 by 1. 0mol /L and the calcination temperature of 550℃ is higher than 90 % when the molar ratio of butyl alcohol to butanoic acid is 1. 2 ∶1 and without addition of entrainer , which is superior to the reported results obtained using SO2 -4 /TiO2 - WO3 and TiSiW12 O40 / TiO2 catalysts under comparable experiments.
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The QSPR Between Connectivity Index and Its Converse Index and Boiling Point of Aliphatic Unsaturated Hydrocarbon
CHEN Yan
2007, 20 (1): 9-12.
Abstract ( ) PDF ( 197KB ) ( ) 　　
        On the basis of adjacency matrix , a novel connectivity indexes of mX D and its converse index mX D′were constructed from an approved new atomic v alence δdi . The correlation coefficients be tween 0 XD , 1 XD , 0 XD′, 1 XD′and boiling points for 80alkenes , 39alkynes and 169 aliphatic unsaturated hydrocarbons were made , which were 0. 999 3 , 0. 999 6, 0. 995 5, respectively and better than those of the famous Kier's index (mXv). The result shows that the new 1 XD with good structure selectivity , property relativity and clear physical meaning is easy to calculate , which provides an effective method to predict the aliphatic boiling points of the aliphatic unsaturated hydrocarbons.
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Synthesis of 2 - Methy l - 2 - Hydroxy - 1 - Phenyl - 1 - Pentanone
HU Ying - xi,LIU Xia,GUO Juan
2007, 20 (1): 13-17.
Abstract ( ) PDF ( 204KB ) ( ) 　　
　    First , 2 - methyl isocaproy l chloride was prepared by 2 - methylvaleric acid and thionyl chloride. Second, 2 - methyl - 1 - pheny l - 1 - pentanone was synthesized with benzene and isocaproy l chloride in the presence of anhydrous aluminum chloride as a catalyst. The n, 2 - methy l - 2 - hydroxy - 1 - pheny l - 1 - pentanone was prepared by chlorination and hydrolysis with 2 - methyl - 1 - pheny l - 1 - pentanone in the presence of NaOH and CCl4 as chlorinating agent and tetrabutyl ammonium bromide as the phase transfer catalyst. The result shows :w hen n(2 - methylvaleric acid)/n(thionyl chloride) is 1. 0 ∶1. 5, dropwise temperture and time of thionyl chloride is 40 ℃ and 1. 5 h respectively , reaction time is 2. 5 h, anhydrous aluminum chloride is 18. 5 g , benzene is 45 mL, dropwise time of isocaproyl chloride is 0. 5 h , the yield of 2 - methy l - 1 - pheny l - 1 -pentanone is 92. 7 %;when n(2 - methy l - 1 - pheny l - 1 - pentanone)/n(CCl4) is 1. 0 ∶1. 8 , tetrabutyl ammonium bromide is 6 g , mass fraction of sodium hydroxide is 20 % and reaction time is 5 h , the yield of 2 - methyl - 2 -hydroxy - 1 - pheny l - 1- pentanone can be up to 91%. The structure of the product was characterized by elemental analysis, IR and MS.
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Removal of Nitrogen Compounds From Crude Methylnaphthalene Oil by Extraction With Formic Acid
XIONG Jie - ming,ZHANG Li - ping,GONG Liang - fa
2007, 20 (1): 18-20.
Abstract ( ) PDF ( 178KB ) ( ) 　　
    　The crude methylna phthalene oil (CM NO) contains some nitrogen impurities, such as quinoline , isoquinoline and indole and soon. The nitrogen compounds can be removed off efficiently from CM NO by extraction with formic acid.Experiment was carried out to investigate the effect of the extraction time , temperature , formic acid concentration , volume ratio of solvent to oil on extraction. The result shows that extraction system reaches equilibrium within 3 min for quinoline , isoquino line and methylquinoline , but needs longer time for indole , the formic acid concentration has little effect on removal of quinoline , isoquinoline and methylquinoline but has strong effect on removal of indole , the higher the formic acid concentration,the higher the indole removal efficiency , the removal efficiency for indole is higher below 40 ℃. The yield for me thylnaphthalene is more than 95%, which presents an effective method for removal of nitrogen compounds from CM NO.
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Effect of CaO on Hydrogen Production by Vaporization From Biomass in Supercritical Water
WA NG Jing - chang,YUAN Ta - liang,WANG Kun, LIU Xue - w u, LI Zhi - y i
2007, 20 (1): 21-23.
Abstract ( ) PDF ( 203KB ) ( ) 　　
　    Experiments for hydro gen production w ere carried out in subcritical and supercritical water in a batch - type reactor biomass set up by our selves. Glucose was used as a model compound, and CaO was used as CO₂ remover in experiments. The effects of temperature , residence time and n (Ca) /n(C) on glucose reactions with and without CaO were examined by comparison and the optimal process for hydrogen production from biomass was also suggested. Under the condition of 480 ～530 ℃, above critical pressure , 2. 5%～ 5. 0 %mass fraction of glucose , 3～ 5 min resident time , n(Ca)/n(C) of 0. 45 ～ 0. 52 , the mass fraction of hydro gen is up to 67. 5 %.
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Estimation of the Acute Toxicity of Chloro -Aniline Compound to Photobacterium Phosphoreum by Using Topological Index
YANG Chun -feng,FENG Chang -jun,MU Lai -lo ng
2007, 20 (1): 24-27.
Abstract ( ) PDF ( 190KB ) ( ) 　　
        On the basis of the chemical topological theory , Kier's molecular connectivity index (mX vp)and Hall's elect rotopological state index(En)o f 14 chloro -aniline compounds were calculated .The quantitative structure -bioactivity relationship (QSAR) between the acute to xicity of 14 chloro -aniline compounds to photo bacterium phosphoreum and En , mX vp was investigated with multiple regression analysis .By using stepwise regression analysis, the best QS AR model was set up and the correlation coefficient was 0 .979 .By using leave - one - out (LOO) of Jackknifed method , the model shows predictability and robustness , the estimated values are close to experimental datas.
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Improvement of Method Determining Mass Concent ration of HPAM by the S tarch - Cadmium Iodide
ZHANG Zho ng - zhi,GAO Yu - ge, LU Xiao - gang,WANG Han,ZHANG Qing - jun
2007, 20 (1): 28-30.
Abstract ( ) PDF ( 192KB ) ( ) 　　
         The effect of mass concentration of starch on accuracy of determining partially hydrolyzed poly acry lamide(H PAM) concentration by use of starch - cadmium iodide method was studied. The results show that the Abs not only increases with the increase of H PAM mass concent ration, but also with the increase of straight chain starch mass concentration. A way to improve the solubility of straight chain starch was adopted and the best added quantity of starch was found. The improved process for determining H PAM mass concentration was displayed. In the range from 0 to 25 mg /L of H PAM mass concentration , a standard working curve of H PAM mass concentrationvs. solution absorbency was constructed with R2 is equal to 0. 999 8.
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Characteristics and Catalytic Performance of Nanocrys talline and Non - Nanocry stalline ZSM - 5 Zeolites
ZHANG Ling - ling,LI Feng - yan,ZHAO Tian - bo,WANG Yue
2007, 20 (1): 31-34.
Abstract ( ) PDF ( 311KB ) ( ) 　　
    　The characteristics and catalytic performance of nanocr ystalline and no n - nano crystalline ZSM - 5 Zeolites were studied. The zeolites were characterized by XRD and SEM , the acidity was measured by NH3 - TPD, surface area and pore volume were determined by N2 adsorption. Toluene alkylation and o - xylene isomerization were chosen and the catalytic activity was estimated with impulse minisize reactor - chromatogram device. The results show that to luene alkylation and o - xylene isomerization convertion of nano crystalline ZSM - 5 zeolite are 60. 98 %(450 ℃) and 90. 38 %(500 ℃) respectively , which are higher than that of non - nano crystalline ZSM - 5 zeolite(46. 18% and 75. 59 %), so nano crystalline ZSM - 5 zeolite has better catalytic activity.
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Activity of La_{1 - x}Sr _xCo_{0. 5}Mn_{0. 5}O₃ Perovskite - Type Catalyst for Simultaneous Removal of Diesel Soot Par ticulates and NO_x
SUN Zhi - qiang,WANG Hong
2007, 20 (1): 35-38.
Abstract ( ) PDF ( 188KB ) ( ) 　　
    　A series of complex oxide La_{1 - x}S r_x Co_{0. 5}Mn_{0. 5}O₃ perovskite - type catalysts in which La³⁺ is partly substituted for S r²⁺ were synthesized at low temperature through a combustion process and the catalysts were characterized by XRD, IR and BET. The activity of the catalysts for simultaneous removal of NO_x and diesel soot particulates were examined in details using temperature programmed reaction (TPR) technique. The results show that after partial substitution of La^{3 +} with Sr ²⁺ the oxygen vacancy concentration increases significantly , B^{3 +} - B^{4 +} system is formed and consequently the catalytic activity for simultaneo us removal of NO_x and diesel soot particulates is significantly improved. It is found through catalytic property testing that catalytic activity is best when x =0. 4 and the catalyst and the soot is mixtured tightly , temperature of soot combustion is 305 ～ 435 ℃, the conversion rate of NO_x can reach to 43. 7%.
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A Novel Synthetic Method of 4-Chloro-1,2-Bimethyl-Benzene by High Selective Chlorination Reaction
QIAN Jian-hua, ZHANG Qing-chun, LIU Lin, XING Jin-juan, GONG Shu-hua
2007, 20 (1): 39-41.
Abstract ( ) PDF ( 893KB ) ( ) 　　
 
The selective chlorination reaction of the aromatic ring among the aromatic compounds is very important in the economy and environmental protection aspects. A novel chlorination reaction system HCl-H₂O ₂-CH₃COOH was applied to react with o-xylene. Compared to the traditional Lewis acid catalysts which comprised sulfur and zeolite catalytic chlorination system, it took on much superiority such as high-selectivity, high-yield, simple operation, savings and environmental protection etc. The reaction conditions were controlled, the molar ratios of hydrogen peroxide, hydrochloric acid to o-xylene were 5.0,4.0 respectively, the reaction was processing under 70 ℃ until the feeding was finished and then the reaction was 2 h under 90 ℃. The conversion ratio of the raw material is over 99%, the yield is 96.9% and the selectivity is over 99% under this condition.
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Synthesis and Catalytic Properties in Cyclohexane Oxidation of Macrocyclic Heterodinuclear Complexes Encapsulated in MCM-41
GAO Li-juan, LI Rui-feng
2007, 20 (1): 42-47.
Abstract ( ) PDF ( 885KB ) ( ) 　　
 
Nine macrocyclic d-f heterodinuclear complexes ［M1M2L］(NO ₃)(H₂O)n(M,L stand for metal and ligand) were synthesized. Nine d-f heterodinuclear complexes were immobilized on MCM-41 mesoporous materials to prepare encapsulated catalyst by impregnation. The samples were characterized by using IR and UV-Vis, XRD, ICP-AES and TG/DTA techniques. The results show that the structures of heterodinuclear complexes in MCM-41 are unchanged. The catalytic properties of the prepared catalysts were studied by cyclohexane oxidation. The results show that they have better activity in cyclohexane oxidation; TOF values of these encapsulated catalysts are in the range of 20.4~49.2 h-1; the conversion of cyclohexane is the highest (72.1%) when acetic acid is used as solvent. The influence of time, temperature and the amounts of the oxidant and catalyst on cyclohexane oxidation was also investigated. The best reactive conditions are reaction time of 10~12 h, reaction temperature of 343~393 K, H2O2 amount of 5~15 mL and catalyst content of 0.5~1.0 g respectively.
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Adsorptive Desulfurization by Modified Zeolites
XU Lin-gang, LI Yong-hong
2007, 20 (1): 48-51.
Abstract ( ) PDF ( 920KB ) ( ) 　　
A series of adsorbents involving modified ZSM-5,Y,MCM-41 molecular sieves were prepared by ion-exchanging method for gasoline desulfurization. The composition and specific surface area of the adsorbents were determined by XRD technique. The effect of adsorption conditions on the desulfurization performance of the adsorbents was studied. The results show that the desulfurization performance varies for different adsorbents, CuY performs the best and the optimum adsorption conditions is ambient temperature , atmospheric pressure and mass ratio of adsorbent to oil ratio of 0.15. By analyzing the varations of the adsorbent CuY through regeneration process, the mechanism of adsorptive desulfurization was investigated.
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Suspension Bed Hydrocracking of Atmospheric Residue From Dagang Oil Field
ZHANG Lei,MU Bao-quan, DENG Wen-an, QUE Guo-he
2007, 20 (1): 52-55.
Abstract ( ) PDF ( 849KB ) ( ) 　　
 
Suspension bed hydrocracking technology and water soluble catalyst were used for upgrading of atmospheric residue from Dagang oil field. The relations among metal composition of the catalyst, reaction conditions, coke forming and conversion were systematically investigated. After optimization, the yields of AGO and VGO are 21.2% and 47.7% respectively from processing atmospheric residue under the condition of 430 ℃, 1.0 h-1 space velocity, 7 MPa and catalyst addition amount with 300 μg/g in once through operation, toluene insolubles yield level of 1.4%, a total conversion of AR which has a boiling point lower than 524 ℃ can reach above 80%.The constitutes of catalyst and reaction temperature are the main factors which affect the conversion of materials and coke formation, the conversion of materials and coke formation increase with the extend of reaction time, the conversion has little change and the trend of coke formation decreases with the increase of reaction pressure. The recycling can improve the conversion of residue but the degree is too small.
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Preparation of Hyperbranched Epoxy Resin and Its Performance
WU Bi-yao， ZHANG Jun-heng， CHEN Yao， YIN Wen -hua
2007, 20 (1): 56-59.
Abstract ( ) PDF ( 947KB ) ( ) 　　
 
The AB2 monomer was prepared by trimellitic anhydride (TMA) and ethylene glycol.The syntheses of hyperbranched polymer based upon TMA as a core molecule and AB2 monomer which contains two single carboxylic group and one hydroxy groups were studied. Two types of hyperbranched polyester (G1,G2) with different relative molecular weight were obtained by reaction between TMA and AB2 monomer and reaction between G1 and TMA respectively with different mole ratio. Using phase transfer catalyst between epichlorohydrin and potash salt hyperbranched polymer, hyperbranched epoxy polymer of G1′ and G2′ was synthesized. The structure of products was characterized by using IR, GPC and 1HNMR. The results show that G1 and G2 have narrow relative molecular weight distribution with 1.008 1 and 1.011 0 respectively; the IR shows that the hyperbranched epoxy polymer is formed.
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Synthesis of 5-o-Tolyl -2-Pentene With Na/K₂CO₃
YANG Jin-xiang, ZHENG Jia-ming, ZHANG Shui-ying, BAI Yun-fei
2007, 20 (1): 60-62.
Abstract ( ) PDF ( 806KB ) ( ) 　　
5-o-tolyl -2-pentene(OTP) was prepared by o-xylene and 1,3-butadiene under sodium as catalyst and potassium carbonate as dispersing agent .The effects of catalyst dosage, mass ratio of dispersing agent to catalyst, reaction temperature, reaction time and molar ratio of o-xylene to 1,3-butadiene were investigated. The best technical parameters were obtained : the molar ratio of o-xylene to 1,3-butadiene is 5∶1, reaction temperature is 175 ℃, reaction time is 2.5 h, mass fraction of catalyst is 0.25％, mass ratio of dispersing agent to catalyst is 16∶1.The yield of OTP is 71.2％ under the best technologic conditions. The technology has a series of advantages, for example, the process is simple, the reaction time is short, what's more, it's easy to achieve industrialization open up.
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Investigation on Slective Oxidation of CO in Hydrogen-Rich Gas for Nano Au/ZnO/TiO₂ Catalyst
WANG Chao,XU Xin,LUO Guo-hua
2007, 20 (1): 63-66.
Abstract ( ) PDF ( 883KB ) ( ) 　　
 
The catalytic activity and selectivity of catalysts prepared by coprecipitation method with different precipitants, calcined temperature and the pretreatment condition with different content of Au and ZnO loading dispersed over nanoparticles TiO₂ for CO oxidation in H₂-rich gas was studied. The simulated material gas was used as reaction gas and the evaluation on catalytic activity of product was made through microreaction- chromatograph instrument. The catalyst was characterized by XRD and BET. The results show that the activity and selectivity of the catalysts are greatly changed with the variation of the ZnO loading, the kind of precipitant, calcination temperature and pretreatment condition; the catalyst Au(2%)/ZnO(2%) /TiO₂ with (NH₂)2CO as the precipitants, calcined at 300 ℃, pretreatment in H₂ and reaction temperature for 30℃ has optimal activity and selectivity.
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Optimum Design of Multi-Holes Tube Distributor of Plate Air-Cooled Cooler
WEI Li-wa, SUN Tie
2007, 20 (1): 67-69.
Abstract ( ) PDF ( 993KB ) ( ) 　　
 
Since the heat exchanger plates are designed along vertical direction, the uniform level of the inlet medium has vital effect on the whole efficiency of cooling rate. The multi-holes distributor optimum design was discussed.The structure design of multi-holes distributor was put forward and the design method was mathematically described ,then deduced the formula of pressure reduction. Flow pattern in the distributor was simulated by CFX software. The results show that the effect of uniform distribution is good. These have some importance to fundamental thought of distributer optimum design and formular reduction of pressure on the distributor design.
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Numerical Simulation of Reactor for Methanol Steam Reforming in Automobile
LI Cong, LI Xing-hu, JIANG Lei, SONG Ling-jun
2007, 20 (1): 70-73.
Abstract ( ) PDF ( 922KB ) ( ) 　　
 
In order to investigate the temperature field and the distribution of the volume fraction of mixed gas in methanol reforming reactor, a two-dimensional mathematical model was presented for describing the complex physical and chemical processes in the reformer of methanol-steam. The numeration of the steady field in the reactor was made with software STAR-CD by using TGrid mesh technology and laminar flow model which dispersed the equation by finite volume difference method and solved by using SIMPLE arithmetic. The simulation result can describe the temperature field and the distribution of volume fraction of mixed gas in methanol reforming reactor. The model reliability was verified experimentally on self-designed equipment. The model can predict the temperature and volume fraction of various compositions, because the experiments dates are very close to simulated ones. The effect of the tube diameter on the reactor was investigated by using the model. The result shows that with the increase of diameter, the temperature is increased, but there is nearly no change of compositions volume fraction.
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Calculation and Analysis on the Performance of Adjustable Ejector
SHEN Sheng-qiang, ZHANG Kun
2007, 20 (1): 74-76.
Abstract ( ) PDF ( 870KB ) ( ) 　　
 
A scheme through measuring crush needle in the nozzle for adjusting the ejector was presented. A mathematical model for the performance of adjustable ejector was established and used to analyze the effect of cross section area variation of the nozzle on the parameters of entrainment ratio, fluid pressures and flow rate and so on. The results indicate that the outlet flow rate can be controlled within a stable extent by adjusting the cross section area of the nozzle, the adjustable nozzle can extend the effective working range of ejectors.
 
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Experimental Investigation and Analysis on the Response Velocity of a Swing SMA Spring Actuator
WANG Hong， YAO Xiong-liang
2007, 20 (1): 77-80.
Abstract ( ) PDF ( 947KB ) ( ) 　　
According as the electrothermal driving principle of SMA springs, the simulation of SMA spring,s response velocity was made and analyzed, at the same time, an experiment on a SMA spring actuator of biomimetic propel was investigated. The result shows that the response velocity of the actuator is related with the driving current, the cooling speed and the pre-tensile length, the response velocity of SMA actuator is improved by increasing the driving current and the cooling speed, which is in accord with the result of simulation. In addition, the response velocity of the actuator is affected by the pre-tensile length, the response velocity of the actuator is improved by choosing an appropriate pre-tensile length, but the SMA spring will come into being irreversible deformation if the pre-tensile length is too large.
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The Effect of Soil Resistivity on Cathodic Protection Potential Distribution Outside of Tank Bottom
 
DU Yan-xia, ZHANG Guo-zhong
2007, 20 (1): 81-84.
Abstract ( ) PDF ( 938KB ) ( ) 　　
 
A mathematical model was established for the cathodic protection potential distribution outside of tank bottom, in which the inhomogeneity of medium was taken into account. The effect of soil resistivity change along vertical direction on potential distribution was studied through numerical simulation. The simulated results indicate that the non-uniformity is further intensified due to the bitumen sand base; soil resistivity in the position where auxiliary anodes are placed has significant effect on potential distribution; there is a buried depth of anode for optimal potential distribution under different geological conditions.
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Prediction of Flash Points of Fatty Alcohols Based on Artificial Neural Networks
PAN Yong, JIANG Jun-cheng
2007, 20 (1): 85-89.
Abstract ( ) PDF ( 828KB ) ( ) 　　
 
A quantitative structure-property relationship (QSPR) model based on artificial neural networks was established to predict the flash points of fatty alcohols. A set of topological indices was used as molecular structure descriptors to describe the molecular structure characteristics of fatty alcohols. Using the back-propagation artificial neural networks which have the satisfactory nonlinear prediction ability, the correlation between molecular structures and flash points of fatty alcohols was studied with molecular structure descriptors as input parameters and flash point as output one. The results show that the predicted flash points are in good agreement with the experimental data, which are superior to those of conventional group contribution methods. The method proposed can be used to predict not only the quantitative relation between flash points and molecular structures of fatty alcohols but also the flash points of organic compounds for engineering.
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Application of Particle Swarm Algorithms to Optimization of Chemical Production Process
CHANG Xiao-ping,QIN Jian-hua, Yigong LOU
2007, 20 (1): 90-93.
Abstract ( ) PDF ( 840KB ) ( ) 　　
Basic particle swarm algorithms were intelligentized. Based on the intelligentized algorithms and MATLAB, simulation regarding optimization of benzene-toluene flash vaporization process during process of chemical production was made. The simulation result shows that the amount of benzene in vapor phase product reaches the maximum under the condition of effective adjustment of temperature, pressure and diffluence coefficient and the production process is optimized. It also proves that the intelligentized algorithms are practical in optimization of chemical production process.
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Data Mining Techniques for Structure of Single XML Document 
MEI Dong-xia, ZHANG Xiao-ming
2007, 20 (1): 94-98.
Abstract ( ) PDF ( 898KB ) ( ) 　　
An algorithm based on structure of XML was proposed. XML was parsed using JAVA DOM in order to get XML document tree. The label of XML was stored as label path. Then, frequent transactions were obtained through mining association rules on label paths. The results show that if only the structure of XML is anomaly, the efficiency will be improved when minimal support is increased.
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