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SCI和EI收录∣中国化工学会会刊
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English
本期目录
2007年 第15卷 第1期 刊出日期:2007-02-28
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TRANSPORT PHENOMENA & FLUID MECHANICS
简单剪切流动中液滴断裂机理
林长志, 郭烈锦
. 2007, 15(1): 1-5. doi:
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The experimental results of the deformation and breakup of a single drop immersed in a Newtonian liquid and subjected to a constant shear rate which generated by counter rotating Couette apparatus were presented in this paper. From experimental observations, the breakup occurred by three mechanisms, namely, necking, end pinching, and capillary instability. Quantitative results for the deformation and breakup of drop are presented. The maximum diameter and Sauter mean diameter of daughter drops and capillary thread radius are linearly related to the inverse shear rate and independent of the initial drop size, the dimensionless wavelength which is the wavelength divided by the thread width at breakup is independent of the shear rate and initial drop size, and the deformation of threads follows a pseudo-affine deformation for Cai/Cac larger than 2.
压力保持系统中一口井的压力恢复分析
林加恩, 杨慧珠
. 2007, 15(1): 6-11. doi:
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The development and application of a new solution is demonstrated for the type-curve analysis and interpretation of well test data from a multiwell reservoir system of both production and injection wells with two-phase flow. The buildup type curves or buildup behavior could be obtained through the solution by using superposition. But a new outer boundary condition for variable pressure boundary must be introduced to obtain the correct pressure buildup solutions by superposition. A technique is shown to determine the deviation time from the infinite-acting semilog radial flow stabilization in the derivatives of pressure, which is calculated with respect to and plotted vs. shut-in time.
Field examples are given to illustrate the use of the proposed method for analyzing transient pressure data from a well located in a multi-well water-injection reservoir. An adaptive genetic algorithm-based method is used to match the pressure and pressure derivative data to estimate reservoir parameters. The validity and applicability of the proposed method are also demonstrated through the examples.
颗粒尾涡增强湍流的大涡模拟以及气固两相流中湍流变动的数值模拟
曾卓雄, 周力行, 祁海鹰
. 2007, 15(1): 12-16. doi:
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The turbulence enhancement by particle wake effect is studied by large eddy simulation (LES) of turbulent gas flows passing a single particle. The predicted time-averaged and root-mean-square fluctuation velocities behind the particle are in agreement with the Reynolds-averaged Navier-Stokes modeling results and experimental results. A semi-empirical turbulence enhancement model is proposed by the present authors based on the LES results. This model is incorporated into the second-order moment two-phase turbulence model for simulating vertical gas-particle pipe flows and horizontal gas-particle channel flows. The simulation results show that compared with the model not accounting for the particle wake effect, the present model gives simulation results for the gas turbu-lence modulation in much better agreement with the experimental results
下行床反应器中惰性颗粒射入对结焦抑止和颗粒速度均匀化的影响
张济宇, 祝媛, 田亚峻, 谢克昌
. 2007, 15(1): 17-23. doi:
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The coking observation and particle flow behaviour in both thermal plasma and cold plexiglas downers were investigated in a binary particle system formed by injecting coarse inert particles (carrying coke away and scouring wall) and fine coal powders into the downer reactor. The results demonstrate that this scheme is a rational selection to prevent coking on downer walls and improve particle velocity distribution along the radial direction. When injected coarse particles mixed with fine powders in downers, the fluctuation of local particle velocity in the radial direction becomes smaller and two peaks in the radial distribution of local particle velocity occur due to the improved dispersing character and flow structure, which are beneficial to the thermo-plasma coal cracking reaction and coking prevention.
基于魏格纳分布的鼓泡流化床中结焦早期诊断
张建胜, 吕俊复, 王昕, 张海, 岳光溪,SUDAToshiyuki, SATOJunichi
. 2007, 15(1): 24-29. doi:
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An experimental verification is reported on the early predicting index of agglomeration in bubbling fluidized bed. Coarse quartz sand, which has the same density but larger diameter than the bed material, was used to simulate the initial agglomerated particle. Wigner distribution was used to analyze the pressure fluctuation of the tested bed, and the average amplitude of local domain frequency (LDF) and local peak weighted average frequency (LPWA) under different operating conditions were measured and compared. The results showed that the LDF is sensitive to the agglomeration phenomena and had quick response to the incipient agglomeration in fluidized beds. It can be concluded from the results that these two parameters could be taken as the characteristic indexes to the ag-glomeration in fluidized beds.
T-形分叉槽道纤维悬浮湍流场的数值模拟
张善亮, 林建忠, 张卫峰
. 2007, 15(1): 30-38. doi:
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The concentration and orientation of fiber in a turbulent T-shaped branching channel flow are investigated numerically. The Reynolds averaged Navier-Stokes equations together with the Reynolds stress turbulent model are solved for the mean flow field and the turbulent kinetic energy. The fluctuating velocities of the fluid are assumed as a random variable with Gaussian distribution whose variance is related to the turbulent kinetic energy. The slender-body theory is used to simulate the fiber motion based on the known mean and fluctuating velocities of the fluid. The results show that at low Reynolds number, fiber concentration is high in the flow separation regions, and fiber orientation throughout the channel is widely distributed with a slight preference of aligning along the horizontal axis. With increasing of Re, the high concentration region disappears, and fiber orientation becomes ho-mogeneous without any preferred direction. At high Reynolds number, fiber concentration increases gradually along the flow direction. The differences in the distribution of concentration and orientation between different fiber aspect ratio are evident only at low Re. Both Re and fiber aspect ratio have small effect on the variance of orientation angle.
SEPARATION SCIENCE & ENGINEERING
直接和间接电合成制备出的高铁酸钾的物理和电化学性能
徐志花, 王建明, 邵海波, 张鉴清
. 2007, 15(1): 39-43. doi:
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K2FeO4 powders were synthesized by the ex-situ and in-situ electrochemical methods, respectively, and characterized by infrared spectrum (IR), scanning electron microscopy (SEM), X-ray powder diffraction (XRD) and BET. Their electrochemical performances were investigated by means of galvanostatic discharge and electrochemi-cal impedance spectroscopy (EIS). The results of physical characterization showed that the two samples have simi-lar structural features, but their surface morphologies and oriented growth of the crystals are different, which results in smaller specific surface area and lower solubility of the ex-situ electrosynthesized K2FeO4 sample. The results of discharge experiments indicated that the ex-situ electrosythesized K2FeO4 electrode has much larger discharge ca-pacity and lower electrode polarization than the in-situ electrosynthesized K2FeO4 electrode. It was found from the results of EIS that lower electrochemical polarization might be responsible for the improvement on the discharge performance of the ex-situ electrosynthesized K2FeO4 electrode.
REACTION KINETICS, CATALYSIS AND……
甲烷等离子体转化合成碳二烃反应过程和过渡态理论
王保伟, 杨恩翠, 许根慧, 郝金库
. 2007, 15(1): 44-50. doi:
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The direct synthesis of C2 hydrocarbons (ethylene, acetylene and ethane) from methane is one of the most important task in C1 chemistry. Higher conversion of methane and selectivity to C2 hydrocarbons can be realized through plasma reaction. In order to explore the reaction process and mechanism, the possible reaction paths (1)—(4) were proposed on coupling reaction of methane through plasma and studied theoretically using semi-PM3 method [PM3 is parameterization method of modified neglect of diatomic overlap (MNDO)] including determining the transition state, calculating the activation energy and thermodynamic state functions and analyzing the bond order and intrinsic reaction coordinate. The reaction heat results indicate that the reactions (2) and (4) are exothermic, while reactions of (1) and (3) are endothermic. The activation energy results show that activation energy for reac-tions (1) and (2) was much lower than that of reaction paths (3) and (4). Therefore, paths (1) and (2) is the favorable reaction path energetically. More interestingly by comparing the intrinsic reaction coordinated (IRC) of the reaction paths (1) and (2), it is found that the variations of bond lengths in reaction path (1) has a crucial effect on the poten-tial energy, while in reaction path (2), the adjustment of the system geometry also contributes to the whole potential energy of the system.
聚碳酸酯连续熔融酯交换过程的反应闪蒸模拟
秦吉臣, 谢小莉, 曹贤武, 瞿金平
. 2007, 15(1): 51-62. doi:
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A model of the continuous melt transesterification process of bisphenol-A and diphenyl carbonate in a continuous stirred tank reactor to produce polycarbonate is presented. The model is developed by using the molecular species model of polycarbonate melt polycondensation and the modeling method of reactive flash. Liquid phase is treated as perfect mixed flow and the vapor phase is assumed following the ideal gas law. With this model, the continuous melt transesterification process of bisphenol-A and diphenyl carbonate is examined with respect to different process parameters.
载体对镍催化剂催化间二硝基苯加氢制间苯二胺反应性能的影响
刘迎新, 陈吉祥, 张继炎
. 2007, 15(1): 63-67. doi:
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The hydrogenation of m-dinitrobenzene to m-phenylenediamine in liquid phase was studied with the nickel catalysts supported on SiO2, TiO2, γ-Al2O3, MgO and diatomite carriers. Based on the experiments of X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), temperature-programmed reduction (TPR), temperature-programmed desorption of hydrogen (H2-TPD) and activity evaluation, the physico-chemical and catalytic properties of the catalysts were investigated. Among the catalysts tested, the SiO2 supported nickel catalyst showed the highest activity and selectivity towards m-phenylenediamine, over which 97.3% m-dinitrobenzene con-version and 95.1% m-phenylenediamine yield were obtained at 373K under hydrogen pressure of 2.6MPa after re-action for 6 h when using ethanol as solvent. Although TiO2 and diatomite supported nickel catalysts also presented high activity, they had lower selectivity towards m-phenylenediamine. As for γ-Al2O3 and MgO supported catalysts were almost inactive for the object reaction. It was shown that both the activity and selectivity of the catalysts were strongly depended on the interaction between nickel and the support. The higher activities of Ni/SiO2, Ni/TiO2 and Ni/diatomite could be attributed to the weaker metal-support interaction, on which Ni species presented as crystal-lized Ni metal particles. On the other hand, there existed strong metal-support interaction in Ni/MgO and Ni/-Al2O3, which causes these catalysts more difficult to be reduced and the availability of Ni active sites de-creased, resulting in their low catalytic activity.
使用加热空气的预混天然气催化燃烧的实验研究
许考, 刘中良, 何洪, 程水源, 马重芳
. 2007, 15(1): 68-74. doi:
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In this paper the premixed catalytic combustion emissions such as CO, unburned hydrocarbon (UHC), NOx and the temperature distribution in the catalytic monolith with ultra low concentration of Pd were studied. Three types of monoliths were used for experiments and the temperature of preheated air was respectively 50℃, 100℃ and 200℃. The results showed that preheated air made radial temperature in the catalytic monolith uniform which helped to avoid local hot spots so as to decrease NOx emission. The experiment also proved that the shorter monolith showed much better catalytic combustion performance than longer one and the temperature at the exit of the shorter monolith was relatively lower. On the contrary, the temperature was higher in the longer monolith and the lethal NOx emission was slightly increased.
SYSTEM ENGINEERING
催化重整过程的多目标优化
侯卫锋, 苏宏业, 牟盛静, 褚健
. 2007, 15(1): 75-80. doi:
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In this article, a multiobjective optimization strategy for an industrial naphtha continuous catalytic reforming process that aims to obtain aromatic products is proposed. The process model is based on a 20-lumped kinetics reaction network and has been proved to be quite effective in terms of industrial application. The primary objectives include maximization of yield of the aromatics and minimization of the yield of heavy aromatics. Four reactor inlet tem-peratures, reaction pressure, and hydrogen-to-oil molar ratio are selected as the decision variables. A genetic algorithm, which is proposed by the authors and named as the neighborhood and archived genetic algorithm (NAGA), is applied to solve this multiobjective optimization problem. The relations between each decision variable and the two objectives are also proposed and used for choosing a suitable solution from the obtained Pareto set.
运用层次分析法对化学产品的环境经济性能集成评价
钱宇, 黄智贤, 闫志国
. 2007, 15(1): 81-87. doi:
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With the increasing public consciousness on environmental issues, chemical products and process designs require simultaneous satisfaction and compromise of environmental and economical requirements. To fulfill the two con-flicting while complementary objectives, a systematic approach for life cycle design of a chemical product is proposed in this article. Multiattribute decision-making is adopted in a trade-off consideration of both technical economical evaluation and environmental impacts assessment using the analytic hierarchy process (AHP) approach. On the basis of an evaluation of the relative importance of the criteria multicriteria decision making is performed. In this study, an AHP model is used to derive single a criteria score by analyzing the environmental impact and life cycle cost of a product, respectively. And a fluctuant weight analysis is put forth to calculate the integrated index of the product to enable products to be ranked or selected intuitionally and conveniently. The proposed AHP model has been applied to a case study, a comparative study on chamber cleaning with NF3 and C2F6. The results show that the proposed AHP model is capable of providing a rational and relevant evaluation.
一种基于改进NLJ算法的对象辨识方法及其应用
姜景杰, 甄新平, 李全善, 魏环, 靳其兵, 潘立登
. 2007, 15(1): 88-91. doi:
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The accurate model is the most important and basic condition for the application of advanced process control, but the conventional methods do not provide satisfactory results in the case of unstable processes. To effectively control these processes, a novel identification method (Model Parameters and Initial States Identification simultaneously in closed loop —MPISI) is proposed. The model parameters and initial states of state equation can be simultaneously identified using this method. The results of simulation and application show that this method has the advantageous of disturbance-rejection and robustness. This method proposes a novel way for the optimization and the advanced control of the process systems.
基于滚动MPCA的青霉素发酵过程的在线监控
汪志锋, 袁景淇
. 2007, 15(1): 92-96. doi:
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To reduce the variations of the production process in penicillin cultivations, a rolling multivariate statistical approach based on multiway principle component analysis (MPCA) is developed and used for fault diagnosis of penicillin cultivations. Using the moving data windows technique, the static MPCA is extended for use in dynamic process performance monitoring. The control chart is set up using the historical data collected from the past successful batches, thereby resulting in simplification of monitoring charts, easy tracking of the progress in each batch run, and monitoring the occurrence of the observable upsets. Data from the commercial-scale penicillin fer-mentation process are used to develop the rolling model. Using this method, faults are detected in real time and the corresponding measurements of these faults are directly made through inspection of a few simple plots (t-chart, SPE-chart, and T2-chart). Thus, the present methodology allows the process operator to actively monitor the data from several cultivations simultaneously.
THERMODYNAMICS AND CHEMICAL……
利用二元体系的C H红外光谱推算汽液平衡数据
朱霄, 姚加, 李浩然, 韩世钧
. 2007, 15(1): 97-101. doi:
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Prediction of vapor-liquid equilibrium (VLE) is extremely necessary to separate liquid mixture in chemical production, especially when the required experimental data are difficult to measure, or the measurement is not economical. The infinite dilution activities can be used to predict VLE. However, it needs both the ends of the activities that are difficult to obtain for many systems. In the present study, a new model is proposed for correlating the frequency shift of C H stretching band of IR spectra over the whole concentration. Investigated mixtures in-clude water/2-propanol, water/N, N-dimethylformamide (DMF), water/methanol, water/ethanol, water/1, 4-dioxane, and water/dimethylsulfoxide (DMSO) systems. Simultaneous correlations of C H frequency shift and VLE data are made. Furthermore, the VLE data were predicted with satisfactory results by the parameters obtained from IR spectra coupled with one of the infinite dilution activity coefficients.
SRK方程α的改进及其在汽-液相平衡预测中的应用
罗明检, 马沛生, 夏淑倩
. 2007, 15(1): 102-109. doi:
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Based on results of saturated vapor pressures of pure substances calculated by SRK equation of state, the factor α in attractive pressure term was modified. Vapor-liquid equilibria of mixtures were calculated by original and modified SRK equation of state combined with MHV1 mixing rule and UNIFAC model, respectively. For 1447 saturated pressure points of 37 substance including alkanes; organics containing chlorine, fluorine, and oxygen; inorganic gases and water, the original SRK equation of state predicted pressure with an average deviation of 2.521% and modified one 1.673%. Binary vapor-liquid equilibria of alcohols containing mixtures and water containing mixtures also indicated that the SRK equation of state with the modified α had a better precision than that with the original one.
己二酸在几种有机溶剂中溶解度的测定与关联
樊丽华, 马沛生, 相政乐
. 2007, 15(1): 110-114. doi:
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Using a laser detecting system, solubility data were measured for adipic acid dissolved in six pure solvents, namely, cyclohexanone, cyclohexanol, acetic acid, N,N-dimethylformamide, N,N-dimethylacetamide, and dimethylsulfoxide at the temperature range from 293.15K to 353.15K. All these data were regressed by , NRTL, Wilson, and the modified Wilson models. For the study of six, , NRTL, and the modified Wilson models were found to provide an accurate mathematical representation of the experimental results, with overall average absolute relative de-viations between measured and calculated values as 1.74%, 2.06%, and 3.06%, respectively. The results showed that the model is the most suitable for description of the solid-liquid equilibrium containing adipic acid.
BIOTECHNOLOGY & BIOENGINEERING
限制曝气实现常温条件下生活污水短程硝化
彭永臻, 高守有, 王淑莹, 白璐
. 2007, 15(1): 115-121. doi:
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The objective of this paper was to examine the feasibility of partial nitrification from raw domestic wastewater at ambient temperature by aeration control only. Airflow rate was selected as the sole operational parameter. A 14L sequencing batch reactor was operated at 23℃ for 8 months, with an input of domestic wastewater. There was a programmed decrease of the airflow rate to 28L•h-1, the corresponding average dissolved oxygen (DO) was 0.32mg•L-1, and the average nitrite accumulation rate increased to 92.4% in 3 weeks. Subsequently, further increase in the airflow rate to 48L•h-1 did not destroy the partial nitrification to nitrite, with average DO of 0.60mg•L-1 and nitrite accumulating rate of 95.6%. The results showed that limited airflow rate to cause oxygen deficiency in the reactor would eventually induce only nitrification to nitrite and not further to nitrate and that this system showed relatively stability at higher airflow rate independent of pH and temperature. About 50% of influent total nitrogen was eliminated coupling with partial nitrification, taking the advantage of low DO during the reaction.
重组大肠杆菌可溶表达并快速定量GFP-hepA融合蛋白
陈银, 邢新会, 叶逢春, 况莹
. 2007, 15(1): 122-126. doi:
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To establish a rapid quantification method for heparinase I during its production in recombinant Escherichia coli, a translational fusion vector was constructed by fusing the N terminus of heparinase I to the C terminus of a green fluorescent protein mutant (GFPmut1). As a result, not only was the functional recombinant expression of heparinase I in E. coli accomplished, but also a linear correlation was obtained between the GFP fluorescence intensity and heparinase I activity, allowing enzyme activity to be quantified rapidly during the fermentation.
PROCESS AND PRODUCT TECHNOLOGY
新型含萘环/环戊二烯环结构固化剂的合成及性能
任华, 孙建中, 吴斌杰, 周其云
. 2007, 15(1): 127-131. doi:
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A novel novolac curing agent containing both naphthalene and dicyclopentadiene (DCPD) moieties was prepared to produce a highly heat-resistant cured polymer network. The chemical structure was characterized using Fourier transform infrared spectroscopy, nuclear magnetic resonance, mass spectrometry, and gel permeation chro-matography analyses. The thermal properties of the resulting polymer from diglycidyl ether of bisphenol A epoxy resin cured with the novel curing agent were evaluated using dynamic mechanical thermal analysis and thermogra-vimetric analysis. Compared with the conventional curing agent, the resulting polymer cured with naphtha-lene/DCPD navolac shows considerable improvement in heat resistant properties such as higher glass transition temperature (Tg) and thermal stability. The result also shows better moisture resistance because of the hydrophobic nature of naphthalene/DCPD structure.
氧脱木素过程中超氧阴离子自由基的控制
曹石林, 詹怀宇, 付时雨, 陈礼辉
. 2007, 15(1): 132-137. doi:
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In this study, the superoxide anion radicals were generated by the auto-oxidation of 1,2,3-trihydroxybenzene and determined by UV spectrophotometry, and the reaction was found to be facilitated by anthraquinone-2-sulfonic acid sodium salt. The bamboo kraft pulps were treated by the 1,2,3-trihydroxybenzene auto-oxidation method or the 1,2,3-trihydroxybenzene auto-oxidation combined with anthraquinone-2-sulfonic acid sodium salt to show the ef-fect of the superoxide anion radicals during the oxygen delignification of bamboo kraft pulp and the enhancing af-fect of anthraquinone compounds as an additive on delignification. The results indicated that the superoxide anion radicals could react with lignin and remove it from pulp with negligible damage on cellulose, and the an-thraquinone-2-sulfonic acid sodium salt could facilitate the generation of superoxide anion radical to enhance delig-nification of pulps. The oxygen delignification selectivity could be improved using the 1,2,3-trihydroxybenzene auto-oxidation system combined with anthraquinone-2-sulfonic acid sodium salt.
RESEARCH NOTES
钛和沥青机械合金化合成纳米级碳化钛
李渤,崔立山, 郑雁军, 徐春明
. 2007, 15(1): 138-140. doi:
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TiC powder was synthesized by mechanical alloying of titanium and asphalt in this paper. Deoiled asphalt as a carbon source not only provided element C in the fabrication of TiC but also cracked itself by the mechanical alloying process. The results of X-ray diffraction demonstrated the synthesis of cubic TiC. Gas phase chromatography showed that the discharged gas was composed of low molecular weight hydrocarbons, including H2, CH4 and C2H6. The formation mechanism of titanium carbide by mechanical alloying, and the thermodynamic and kinetics were discussed. These results showed that mechanical alloying is a promising method to prepare TiC and to crack asphalt with some light fraction byproducts.
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期刊简介
1982年创刊 月刊
主编:费维扬
执行主编:骆广生
主管:中国科学技术协会
主办:中国化工学会/化学工业出版社有限公司
ISSN: 1004-9541
CN: 11-3270/TQ
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《中国化学工程学报》(英文版)青年编委招募通知
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