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SCI和EI收录∣中国化工学会会刊
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Table of Content
28 September 2015, Volume 23 Issue 9
    Fluid Dynamics and Transport Phenomena
    Unsteady RANS and detached eddy simulation of themultiphase flow in a co-current spray drying
    Jolius Gimbun, Noor Intan Shafinas Muhammad, Woon Phui Law
    2015, 23(9):  1421-1428.  doi:10.1016/j.cjche.2015.05.007
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    A detached eddy simulation (DES) and a k-ε-based Reynolds-averaged Navier-Stokes (RANS) calculation on the co-current spray drying chamber is presented. The DES used here is based on the Spalart-Allmaras (SA) turbulence model, whereas the standard k-ε (SKE) was considered here for comparison purposes. Predictions of the mean axial velocity, temperature and humidity profile have been evaluated and compared with experimental measurements. The effects of the turbulence model on the predictions of the mean axial velocity, temperature and the humidity profile are most noticeable in the (highly anisotropic) spraying region. The findings suggest that DES provide amore accurate prediction (with error less than 5%) of the flow field in a spray drying chamber comparedwith RANS-based k-ε models. The DES simulation also confirmed the presence of anisotropic turbulent flow in the spray dryer from the analysis of the velocity component fluctuations and turbulent structure as illustrated by the Q-criterion.
    Experimental research on breakup of 2D power law liquid film
    Lixing Xu, Zhenyan Xia, Mengzheng Zhang, Qing Du, Fuqiang Bai
    2015, 23(9):  1429-1439.  doi:10.1016/j.cjche.2015.03.011
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    On account of limited knowledge of the breakup of power law liquid film, the process of its disintegration and atomization was studied by using a planar liquid film. A linear stability analysis was adopted to predict the breakup characteristics of the power law film. The predicting formulas of stripping breakup length and diameter of ligament were put forward presently. Through high-speed photography and laser light sheet illumination, different breakup characteristics of flat power law film under different conditions were derived. The characteristic dimension of breakup regimes were defined and extracted. The effects of several parameters (injection pressure, ambient pressure, nozzle structure and fluid property) on the stripping breakup length and spray angle were investigated. The results revealed that increasing both the velocity of liquid film and the ambient pressure facilitated the breakup of film, reduced the stripping breakup length and enlarged the spray angle in different extents. The comparison between theoretical and experimental results was conducted to validate the feasibility of the linear stability theory.
    Rheological and drag reduction properties of hydroxypropyl xanthan gum solutions
    Meng Tian, Bo Fang, Leiping Jin, Yongjun Lu, Xiaohui Qiu, Hao Jin, Kejing Li
    2015, 23(9):  1440-1446.  doi:10.1016/j.cjche.2015.04.003
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    Hydroxypropyl xanthan gum (HXG) was prepared from xanthan gum (XG) and propylene oxide under alkaline condition. Rheological and drag reduction properties of different concentrations of aqueous HXG and XG solution were studied. The micro-structure network of HXG and XG solutions was investigated by Cryo-FESEM. The results showed that HXG and XG solutions could exhibit shear thinning property. The apparent viscosity of 6 g·L-1 HXG solution was 1.25 times more than that of 6 g·L-1 XG solution. The storage modulus G' and the loss modulus G" of HXG solutions were greater than those of XG solutions, and thixotropic and viscoelastic properties were more significant in HXG solutions. The HXG and XG solutions reduced the pressure drop of straight pipe, and themaximumdrag reduction of 1 g·L-1 HXG and XG in smooth tube reached 72.8% and 68.1%, respectively. Drag reduction rate was increased as the concentration increased. The HXG solution may become a new polymeric drag reducer.
    Measurment of gas-liquid two-phase slug flow with a Venturi meter based on blind source separation
    Weiwei Wang, Xiao Liang, Mingzhu Zhang
    2015, 23(9):  1447-1452.  doi:10.1016/j.cjche.2015.05.008
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    Wepropose a novel flowmeasurementmethod for gas-liquid two-phase slug flowby using the blind source separation technique. The flow measurementmodel is established based on the fluctuation characteristics of differential pressure (DP) signalsmeasured froma Venturimeter. It is demonstrated that DP signals of two-phase flow are a linear mixture of DP signals of single phase fluids. The measurementmodel is a combination of throttle relationship and blind source separation model. In addition,we estimate the mixturematrix using the independent component analysis (ICA) technique. The mixture matrix could be described using the variances of two DP signals acquired from two Venturi meters. The validity of the proposed model was tested in the gas-liquid twophase flow loop facility. Experimental results showed that for most slug flow the relative error is within 10%. We also find that the mixture matrix is beneficial to investigate the flow mechanism of gas-liquid two-phase flow.
    Movement of dispersed droplets ofW/O emulsion in a uniform DC electrostatic field: Simulation on droplet coalescence
    Jun Zhang
    2015, 23(9):  1453-1459.  doi:10.1016/j.cjche.2015.07.007
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    Considering the droplet coalescence, themotion of a group of dispersed droplets inW/O emulsion in a DC electric field is simulated. The simulation demonstrates the evolutions of droplet number, size as well as its distribution, local concentration distribution and droplet size-velocity relationwith the applied time of electric field. The simulated average droplet size is roughly consistent with the experimental value. The simulated variation of droplet number with time under several applied voltages shows that increasing voltage is more effective for raising the rate of droplet coalescence than extending exerting time. However, with the further raise of applied voltage, the improvement in droplet coalescence rate becomes less significant. The evolution of simulated droplet size- velocity relationship with time shows that the inter-droplet electric repulsion force is very strong due to larger electric charge on the droplet under higher applied voltage, so that the magnitude and the direction of droplet velocity become more random, which looks helpful to droplet coalescence.
    Computational fluid dynamic simulations on liquid film behaviors at flooding in an inclined pipe
    Jianye Chen, Yuan Tang, Wei Zhang, Yuchen Wang, Limin Qiu, Xiaobin Zhang
    2015, 23(9):  1460-1468.  doi:10.1016/j.cjche.2015.07.012
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    The complex liquid film behaviors at flooding in an inclined pipe were investigated with computational fluid dynamic (CFD) approaches. The liquid film behaviors included the dynamicwave characteristics before flooding and the transition of flow pattern when flooding happened. The influences of the surface tension and liquid viscosity were specially analyzed. Comparisons of the calculated velocity at the onset of flooding with the available experimental results showed a good agreement. The calculations verify that the fluctuation frequency and the liquid film thickness are almost unaffected by the superficial gas velocity until the flooding is triggered due to the Kelvin-Helmholtz instability. When flooding triggered at the superficial liquid velocity larger than 0.15 m·s-1, the interfacial wave developed to slug flow, while it developed to entrainment flow when it was smaller than 0.08 m·s-1. The interfacial waves were more easily torn into tiny droplets with smaller surface tension, eventually evolving into the mist flow.When the liquid viscosity increases, the liquid film has a thicker holdup with more intensive fluctuations, and more likely developed to the slug flow.
    Catalysis, Kinetics and Reaction Engineering
    Production of glycerol carbonate via reactive distillation and extractive distillation: An experimental study
    Huajun Wang, Lei Pang, Chao Yang, Yihua Liu
    2015, 23(9):  1469-1474.  doi:10.1016/j.cjche.2015.06.011
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    A process for the production of glycerol carbonate (GC) is proposed with the transesterification of glycerol (GL) and dimethyl carbonate (DMC)with CaO as catalyst by reactive distillation and extractive distillation. The performance of solvents in separating DMC-methanol azeotrope and the effects of operation parameters on the reactive distillation process are investigated experimentally. The results indicate that both the GL conversion and GC yield increase with the DMC/GL molar ratio, reflux ratio, final temperature of tower bottom, and CaO/GL molar ratio and decrease as the recycle number of CaO increases. The calciumconcentration in the residual reaction mixture also decreases remarkably as the DMC/GL molar ratio increases. At DMC/GL molar ratio 4.0, reflux ratio 1.0, final temperature of tower bottom 358 K, and CaO/GL molar ratio 0.05, both the GL conversion and GC yield can reach above 99.0%, and the mass concentration of calcium in the product is less than 0.08%.
    Process Systems Engineering and Process Safety
    Genetic algorithm for short-term scheduling of make-and-pack batch production process
    Wuthichai Wongthatsanekorn, Busaba Phruksaphanrat
    2015, 23(9):  1475-1483.  doi:10.1016/j.cjche.2015.04.021
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    This paper considers a scheduling problem in industrial make-and-pack batch production process. This process equips with sequence-dependent changeover time, multipurpose storage units with limited capacity, storage time, batch splitting, partial equipment connectivity and transfer time. The objective is to make a production plan to satisfy all constraints while meeting demand requirement of packed products from various product families. This problemis NP-hard and the problemsize is exponentially large for a realistic-sized problem. Therefore, we propose a genetic algorithm to handle this problem. Solutions to the problems are represented by chromosomes of product family sequences. These sequences are decoded to assign the resource for producing packed products according to forward assignment strategy and resource selection rules. These techniques greatly reduce unnecessary search space and improve search speed. In addition, design of experiment is carefully utilized to determine appropriate parameter settings. Ant colony optimization and Tabu search are also implemented for comparison. At the end of each heuristics, local search is applied for the packed product sequence to improve makespan. In an experimental analysis, all heuristics show the capability to solve large instances within reasonable computational time. In all problem instances, genetic algorithmaveragely outperforms ant colony optimization and Tabu search with slightly longer computational time.
    A novel 3-layer mixed cultural evolutionary optimization framework for optimal operation of syngas production in a Texaco coal-water slurry gasifier
    Cuiwen Cao, Yakun Zhang, Teng Yu, Xingsheng Gu, Zhong Xin, Jie Li
    2015, 23(9):  1484-1501.  doi:10.1016/j.cjche.2015.03.005
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    Optimizing operational parameters for syngas production of Texaco coal-water slurry gasifier studied in this paper is a complicated nonlinear constrained problem concerning 3 BP (Error Back Propagation) neural networks. To solve this model, a new 3-layer cultural evolving algorithmframeworkwhich has a population space, amediumspace and a belief space is firstly conceived. Standard differential evolution algorithm (DE), genetic algorithm (GA), and particle swarm optimization algorithm (PSO) are embedded in this framework to build 3-layer mixed cultural DE/GA/ PSO (3LM-CDE, 3LM-CGA, and 3LM-CPSO) algorithms. The accuracy and efficiency of the proposed hybrid algorithms are firstly tested in 20 benchmark nonlinear constrained functions. Then, the operational optimization model for syngas production in a Texaco coal-water slurry gasifier of a real-world chemical plant is solved effectively. The simulation results are encouraging that the 3-layer cultural algorithm evolving framework suggests ways in which the performance of DE, GA, PSO and other population-based evolutionary algorithms (EAs) can be improved, and the optimal operational parameters based on 3LM-CDE algorithm of the syngas production in the Texaco coalwater slurry gasifier shows outstanding computing results than actual industry use and other algorithms.
    Combined mass and heat exchange network synthesis based on stage-wise superstructure model
    Linlin Liu, Jian Du, Fenglin Yang
    2015, 23(9):  1502-1508.  doi:10.1016/j.cjche.2015.03.006
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    Integrating multiple systems into one has become an important trend in Process Systems Engineering research field since there is strong demand from the modern industries. In this study, a stage-wise superstructurebased method is proposed to synthesize a combined mass and heat exchange network (CM&HEN) which has two parts as themass exchange network (MEN) and heat exchange network (HEN) involved. To express the possible heat exchange requirements resulted from mass exchange operations, a so called “indistinct HEN superstructure (IHS)”, which can contain the all potential matches between streams, is constructed at first. Then, a non-linear programming (NLP) mathematical model is established for the simultaneous synthesis and optimization of networks. Therein, the interaction between mass exchange and heat exchange is modeling formulated. The NLP model has later been examined using an example from literature, and the effectiveness of the proposed method has been demonstrated with the results.
    High dimension feature extraction based visualized SOM fault diagnosis method and its application in p-xylene oxidation process
    Ying Tian, Wenli Du, Feng Qian
    2015, 23(9):  1509-1517.  doi:10.1016/j.cjche.2015.03.007
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    Purified terephthalic acid (PTA) is an important chemical raw material. P-xylene (PX) is transformed to terephthalic acid (TA) through oxidation process and TA is refined to produce PTA. The PX oxidation reaction is a complex process involving three-phase reaction of gas, liquid and solid. To monitor the process and to improve the product quality, as well as to visualize the fault type clearly, a fault diagnosis method based on selforganizing map (SOM) and high dimensional feature extraction method, local tangent space alignment (LTSA), is proposed. In this method, LTSA can reduce the dimension and keep the topology information simultaneously, and SOMdistinguishes various states on the outputmap.Monitoring results of PX oxidation reaction process indicate that the LTSA-SOM can well detect and visualize the fault type.
    Simultaneous optimization of heat-integrated crude oil distillation systems
    Yiqing Luo, LiwenWang, HeWang, Xigang Yuan
    2015, 23(9):  1518-1522.  doi:10.1016/j.cjche.2015.03.008
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    Crude oil distillation is important in refining industry. Operating variables of distillation process have a critical effect on product output value and energy consumption.However, the objectives of minimumenergy consumption and maximum product output value do not coordinate with each other and do not lead to the maximum economic benefit of a refinery. In this paper, a systematic optimization approach is proposed for the maximum annual economic benefit of an existing crude oil distillation system, considering product output value and energy consumption simultaneously. A shortcut model in Aspen Plus is used to describe the crude oil distillation and the pinch analysis is adopted to identify the target of energy recovery. The optimization is a nonlinear programming problem and solved by stochastic algorithm of particle warm optimization.
    Bifurcation control and eigenstructure assignment in continuous solution polymerization of vinyl acetate
    Nan Zhang, Tong Qiu, Bingzhen Chen
    2015, 23(9):  1523-1529.  doi:10.1016/j.cjche.2015.03.009
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    Themajor difficulty in achieving good performance of industrial polymerization reactors lies in the lack of understanding of their nonlinear dynamics and the lack ofwell-developed techniques for the control of nonlinear processes, which are usually accompanied with bifurcation phenomenon. This work aims at investigating the nonlinear behavior of the parameterized nonlinear system of vinyl acetate polymerization and furthermodifying the bifurcation characteristics of this process via a washout filter-aid controller, with all the original steady state equilibria preserved. Advantages and possible extensions of the proposed methodology are discussed to provide scientific guide for further controller design and operation improvement.
    Equation oriented method for Rectisol wash modeling and analysis
    Ning Gao, Chi Zhai, Wei Sun, Xingyu Zhang
    2015, 23(9):  1530-1535.  doi:10.1016/j.cjche.2015.03.010
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    Rectisol process ismore efficient in comparison with other physical or chemical absorption methods for gas purification. To implement a real time simulation of Rectisol process, thermodynamic model and simulation strategy are needed. In this paper, a method of modified statistical associated fluid theorywith perturbation theory is used to predict thermodynamic behavior of process. As Rectisol process is a highly heat-integrated process with many loops, amethod of equation oriented strategy, sequential quadratic programming, is used as the solver and the process converges perfectly. Then analyses are conducted with this simulator.
    A procedure for design of hydrogen networks with multiple contaminants
    Xuefei Wang, ZheWang, Huipeng Zhao, Zhiyong Liu
    2015, 23(9):  1536-1541.  doi:10.1016/j.cjche.2015.04.004
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    It is necessary to reduce hydrogen consumption to meet increasingly strict environmental and product-quality regulations for refinery plants. In this paper, the concentration potential concepts proposed for design of water-using networks are extended to synthesis of hydrogen networks with multiple contaminants. In the design procedure, the precedence of processes is determined by the values of concentration potential of demands. The usage of complementary source pair(s) to reduce utility consumption is investigated. Three case studies are presented to illustrate the effectiveness of the method. It is shown that the design procedure has clear engineering meaning.
    Energy, Resources and Environmental Technology
    Adsorption characteristics of construction waste for heavy metals from urban stormwater runoff
    JianlongWang, Pingping Zhang, Liqiong Yang, Tao Huang
    2015, 23(9):  1542-1550.  doi:10.1016/j.cjche.2015.06.009
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    Stormwater runoff has become an important source of surface water pollution. Bioretention, a lowimpact development measure in urban stormwater management, has been proven to be effective in the removal of pollutants fromstormwater runoff,with appropriate bioretention media. In this study, constructionwasteswere selected as bioretention media to remove heavy metals fromstormwater runoff. Static and dynamic adsorption batch experiments were carried out to investigate the adsorption of heavy metals in simulated stormwater runoff system with construction wastes in different particle sizes. The experimental results show that the pseudo-secondorder kinetic model characterizes the adsorption process and the adsorption equilibriumdata are well described by Freundlich isotherm model. The construction wastes used can remove heavy metals from stormwater runoff effectively, with their average removal rates all more than 90%. The particle size of construction wastes greatly influences the equilibrium time, rate and adsorption capacity for heavy metals.
    Removal of diclofenac from aqueous solution with multi-walled carbon nanotubes modified by nitric acid
    Xiang Hu, Zhao Cheng
    2015, 23(9):  1551-1556.  doi:10.1016/j.cjche.2015.06.010
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    Modified multi-walled carbon nanotubes (MWCNTs) were used as adsorbents for removal of diclofenac. The reaction conditions were examined. Langmuir, Freundlich, Temkin, and Dubinin-Radushkevich isotherm models were applied to determine appropriate equilibrium expression. The results show that the experimental data fit the Freundlich equation well. Thermodynamic parameters show that the adsorption process is spontaneous and exothermic. The kinetic study indicates that the adsorption of diclofenac can be well described with the pseudo-second-order kinetic model and the process is controlled by multiple steps.
    Extraction of potassium from K-feldspar via the CaCl2 calcination route
    Bo Yuan, Chun Li, Bin Liang, Li Lü, Hairong Yue, Haoyi Sheng, Longpo Ye, Heping Xie
    2015, 23(9):  1557-1564.  doi:10.1016/j.cjche.2015.06.012
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    The extraction of potassiumfrom K-feldspar via a calcium chloride calcination route was studied with a focus on the effects of the calcination atmosphere, calcination temperature and time,mass ratio of CaCl2 to K-feldspar ore and particle size of the K-feldspar ore. The results demonstrated that a competing high-temperature hydrolysis reaction of calcium chloride with moisture in a damp atmosphere occurred concurrently with the conversion reaction of K-feldspar with CaCl2, thus reducing the amount of potassium extracted. The conversion reaction started at approximately 600 ℃ and accelerated with increasing temperature. When the temperature rose above 900 ℃, the extraction of potassium gradually decreased due to the volatilization of the product, KCl. As much as approximately 41% of the potassium was volatilized in 40 min at 1100 ℃. The mass ratio of CaCl2/ K-feldspar ore significantly affected the extraction. At a mass ratio of 1.15 and 900 ℃, the potassium extraction reached 91% in 40 min, while the extractionwas reduced to only 22% at the theoreticalmass ratio of 0.2. Optimal process conditions are as follows: ore particle size of 50-75 μm, tablet forming pressure of 3 MPa, dry nitrogen atmosphere, mass ratio of CaCl2/ore 1.15:1, calcination temperature of 900 ℃, and calcination time of 40 min. The XRD analysis revealed that a complex phase transition of the product SiO2was also accompanied by the conversion reaction of K-feldspar/CaCl2. The SiO2 product formed at the initial stagewas in the quartz phase at 900 ℃ and was gradually transformed into cristobalite after 30 min.
    Materials and Product Engineering
    The role of the symmetry and the flexibility of the anion on the characteristics of the nanostructures and the viscosities of ionic liquids
    Jianguang Qi, Yufeng Hu, Yamei Zhao, Jiguang Li
    2015, 23(9):  1565-1571.  doi:10.1016/j.cjche.2015.04.013
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    The transport properties of ionic liquids (ILs) are crucial properties in view of their applications in electrochemical devices. One of the most important advantages of ILs is that their chemical-physical properties and consequently their bulk performances can be well tuned by optimizing the chemical structures of their ions. This will require elucidating the structural features of the ions that fundamentally determine the characteristics of the nanostructures and the viscosities of ILs. Here we showed for the first time that the “rigidity”, the order, and the compactness of the three-dimensional ionic networks generated by the anions and the cation head groups determine the formation and the sizes of the nanostructures in the apolar domains of ILs. We also found that the properties of ionic networks are governed by the conformational flexibility and the symmetry of the anion and/or the cation head group. The thermal stability of the nanostructures of ILswas shownto be controlled by the sensitivity of the conformational equilibrium of the anion to the change of temperature. We showed that the viscosity of ILs is strongly related to the symmetry and the flexibility of the constitute ions rather than to the size of the nanostructures of ILs. Therefore, the characteristics of the nanostructures and the viscosities of ILs, especially the thermal stability of the nanostructures, can be fine-tuned by tailoring the symmetry and the conformational flexibility of the anion.
    Influence of surface etching pretreatment on PEO process of eutectic Al-Si alloy
    Kang Li, Wenfang Li, Guoge Zhang, Min Wang, Peng Tang
    2015, 23(9):  1572-1578.  doi:10.1016/j.cjche.2015.06.004
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    To solve the problems generally encountered during the plasma electrolytic oxidation (PEO) of Al alloys with high Si content, a pretreatment of chemical etching was applied before the process. The influence of such pretreatment was studied by SEM, EDS and XRD. The pretreatment presents a significant effect on positive voltage at the beginning stage of PEO, leading to higher voltage over thewhole process. The difference between the positive voltages of non-etched and etched specimens decreases graduallywith the increase of processing time. The pretreatment exhibitsmuch less influence on the negative voltage. For the sample with surface pretreatment, the average growth rate of PEO coating is increased from 0.50 to 0.84 μm·min-1 and the energy consumption is decreased from 6.30 to 4.36 kW·h·μm-1·m-2. At the same time, both mullite and amorphous SiO2 contents are decreased in the coating.