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Electrocoagulation process for the treatment of metal-plating wastewater: Kinetic modeling and energy

Fatih Ilhan, Kubra Ulucan-Altuntas, Yasar Avsar, Ugur Kurt, Arslan Saral

《环境科学与工程前沿（英文）》 2019年 第13卷 第5期 doi: 10.1007/s11783-019-1152-1

摘要： The wastewater from industrial area was treated by EC via Fe and Al electrodes. Cu, Ni, Cr and Zn were highly removed at the first minutes, simultaneously. Pseudo-2nd-order was found to be more suitable for kinetics. Adsorption capacities based on kinetic modeling were observed as Cr>Cu>Ni>Zn. The chemical cost in the case of pH adjustment after EC was less as 3.83 $/m3. It is known that wastewater produced by the metal-plating industry contains several heavy metals, which are acidic in nature and therefore toxic for the environment and for living creatures. In particular, heavy metals enter the food chain and accumulate in vital organs and cause serious illness. The precipitation of these metals is mostly achieved by pH adjustment, but as an alternative to this method, the electrocoagulation process has investigated in this study using iron and aluminum electrodes. The effects of the pH adjustment on removal before and after the electrocoagulation process were investigated, and cost analyses were also compared. It was observed that a high proportion of removal was obtained during the first minutes of the electrocoagulation process; thus, the current density did not have a great effect. In addition, the pH adjustment after the electrocoagulation process using iron electrodes, which are 10% more effective than aluminum electrodes, was found to be much more efficient than before the electrocoagulation process. In the process where kinetic modeling was applied, it was observed that the heavy metal removal mechanism was not solely due to the collapse of heavy metals at high pH values, and with this modeling, it was seen that this mechanism involved adsorption by iron and aluminum hydroxides formed during the electrocoagulation process. When comparing the ability of heavy metals to be adsorbed, the sequence was observed to be Cr>Cu>Ni>Zn, respectively.

关键词： Electrochemical treatment     Heavy metals     Kinetic modeling     Pseudo first order kinetic     Pseudo second order kinetic    

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Reduced kinetic mechanism of -heptane oxidation in modeling polycyclic aromatic hydrocarbon formation

ZHONG Beijing, XI Jun

《能源前沿（英文）》 2008年 第2卷 第3期   页码 326-332 doi: 10.1007/s11708-008-0047-9

摘要： A reduced mechanism, which could couple with the multidimensional computational fluid dynamics code for quantitative description of a reacting flow, was developed for chemical kinetic modeling of polycyclic aromatic hydrocarbon formation in an opposed-flow diffusion flame. The complete kinetic mechanism, which comprises 572 reactions and 108 species, was reduced to a simplified mechanism that includes only 83 reactions and 56 species through sensitivity analysis. The results computed via this reduced mechanism are nearly indistinguishable from those via the detailed mechanism, which demonstrate that the model based on this reduced mechanism can properly describe -heptane oxidation chemistry and quantitatively predict polycyclic aromatic hydrocarbon (such as benzene, naphthalene, phenanthrene and pyrene) formation in opposed-flow diffusion flames.

关键词： phenanthrene     multidimensional computational     sensitivity analysis     polycyclic     mechanism    

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Kinetic study of the methanol to olefin process on a SAPO-34 catalyst

Mehdi SEDIGHI,Kamyar KEYVANLOO

《化学科学与工程前沿（英文）》 2014年 第8卷 第3期   页码 306-311 doi: 10.1007/s11705-014-1440-z

摘要： In this paper, a new kinetic model for methanol to olefin process over SAPO-34 catalyst was developed using elementary step level. The kinetic model fits well to the experimental data obtained in a fixed bed reactor. Using this kinetic model, the effect of the most important operating conditions such as temperature, pressure and methanol space-time on the product distribution has been examined. It is shown that the temperature ranges between 400 °C and 450 °C is appropriate for propene production while the medium temperature (450 °C) is favorable for total olefin yield which is equal to 33%. Increasing the reactor pressure decreases the ethylene yield, while medium pressure is favorable for the propylene yield. The result shows that the ethylene and propylene and consequently the yield of total olefins increase to approximately 35% with decreasing the molar ratio of inlet water to methanol.

关键词： methanol to olefin     SAPO-34     kinetic modeling     elementary step    

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photoreduction process in a laboratory-scale photoreactor by computational fluid dynamic and reaction kineticmodeling

《化学科学与工程前沿（英文）》 2022年 第16卷 第7期   页码 1149-1163 doi: 10.1007/s11705-021-2096-0

摘要： The production of solar fuels via the photoreduction of carbon dioxide to methane by titanium oxide is a promising process to control greenhouse gas emissions and provide alternative renewable fuels. Although several reaction mechanisms have been proposed, the detailed steps are still ambiguous, and the limiting factors are not well defined. To improve our understanding of the mechanisms of carbon dioxide photoreduction, a multiphysics model was developed using COMSOL. The novelty of this work is the computational fluid dynamic model combined with the novel carbon dioxide photoreduction intrinsic reaction kinetic model, which was built based on three-steps, namely gas adsorption, surface reactions and desorption, while the ultraviolet light intensity distribution was simulated by the Gaussian distribution model and Beer-Lambert model. The carbon dioxide photoreduction process conducted in a laboratory-scale reactor under different carbon dioxide and water moisture partial pressures was then modeled based on the intrinsic kinetic model. It was found that the simulation results for methane, carbon monoxide and hydrogen yield match the experiments in the concentration range of 10−4 mol·m–3 at the low carbon dioxide and water moisture partial pressure. Finally, the factors of adsorption site concentration, adsorption equilibrium constant, ultraviolet light intensity and temperature were evaluated.

关键词： carbon dioxide photoreduction     computational fluid dynamic simulation     kinetic model     Langmuir adsorption    

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Catalytic process modeling and sensitivity analysis of alkylation of benzene with ethanol over MIL-101

Ehsan Rahmani, Mohammad Rahmani

《化学科学与工程前沿（英文）》 2020年 第14卷 第6期   页码 1100-1111 doi: 10.1007/s11705-019-1891-3

摘要： A solvothermal method was used to synthesize MIL-101(Fe) and MIL-88(Fe), which were used for alkylation of benzene. The synthesized catalysts were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, field emission scanning electron microscope, dynamic light scattering, and BET techniques. Metal-organic frameworks (MOFs) were modeled to investigate the catalytic performance and existence of mass transfer limitations. Calculated effectiveness factors revealed absence of internal and external mass transfer. Sensitivity analysis revealed best operating conditions over MIL-101 at 120°C and 5 bar and over MIL-88 at 142°C and 9 bar.

关键词： MOFs     alkylation     ethylbenzene     catalysts pellet model     kinetic model     sensitivity analysis    

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Comparison and modeling of two biofilm processes applied to decentralized wastewater treatment

Guanglei QIU, Yonghui SONG, Peng YUAN, Liancheng XIANG, Jianfeng PENG, Ping ZENG,

《环境科学与工程前沿（英文）》 2009年 第3卷 第4期   页码 412-420 doi: 10.1007/s11783-009-0141-1

摘要： In order to control water pollution in the rapidly urbanizing South China area, biological contact oxidation (BCO) process and biological aerated filter (BAF) process were applied in a pilot-scale experiment for decentralized wastewater treatment. An investigation to find the optimal parameters of the two biofilm systems was conducted on hydraulic loading, organic loading, and aeration rate. The results indicated that the water reuse criteria required a maximum hydraulic and organic loading of 30.0 m/(m·d) and 4.0 kg COD/(m·d), respectively, as well as a minimum effluent DO of 4.0 mg/L. The utilization of a new media allowed BAF to perform better than BCO. The kinetic description of the COD removal process for BAF and BCO are Yang ZHANG,Zifu LI,Ibrahim B MAHMOOD. [J]. Front. Environ. Sci. Eng., 2014, 8(6): 825-834.Daijun ZHANG, Cui BAI, Ting TANG, Qing YANG. [J]. Front Envir Sci Eng Chin, 2011, 5(2): 291-297.Deming ZHAO, Jie CHENG, Michael R. HOFFMANN. [J]. Front Envir Sci Eng Chin, 2011, 5(1): 57-64.Bo WANG, Wei WAN, Jianlong WANG, . [J]. Front.Environ.Sci.Eng., 2009, 3(4): 380-386. Junxiong LIN , Lan WANG , . [J]. Front.Environ.Sci.Eng., 2009, 3(3): 320-324.Lu LI, Shuguang XIE, Hui ZHANG, Donghui WEN. [J]. Front Envir Sci Eng Chin, 2009, 3(1): 38-47.

关键词： biological contact oxidation     biological aerated filter     decentralized wastewater treatment     kinetic model    

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ALKALINE PRETREATMENT AND AIR MIXING FOR IMPROVEMENT OF METHANE PRODUCTION FROM ANAEROBIC CO-DIGESTION OF POULTRY LITTER WITH WHEAT STRAW

《农业科学与工程前沿（英文）》 2023年 第10卷 第3期   页码 424-436 doi: 10.15302/J-FASE-2023506

摘要：

● Integration of alkaline pretreatment and air mixing for co-digestion was validated.

关键词： sodium hydroxide     air injection     cumulative methane yield     kinetic modeling analysis     digestate    

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Thermogravimetric kinetic analysis of

SUKARNI,SUDJITO,Nurkholis HAMIDI,Uun YANUHAR,I.N.G. WARDANA

《能源前沿（英文）》 2015年 第9卷 第2期   页码 125-133 doi: 10.1007/s11708-015-0346-x

摘要： The thermal behavior of combustion in air atmosphere were investigated by performing experiments on STA PT1600 Thermal Analyzer at heating rates of 10°C/min, 40°C/min and 70°C/min and range of temperatures from room temperature to 1200°C. The kinetic parameters were evaluated by using Kissinger and Ozawa methods. The result showed that combustion occurred in five stages. Started with initial devolatilization, the main thermal decomposition and combustion process, transition stage, the combustion of char and the last stage was the slow burning reaction of residual char. In line with increasing heating rate, the mass loss rate increased as well, but it delayed the thermal decomposition processes toward higher temperatures. The average activation energy at the main thermal decomposition stage and the stage of char combustion were approximately 251 kJ/mol and 178 kJ/mol, respectively.

关键词： Nannochloropsis oculata     combustion     kinetic parameters     air atmosphere     thermogravimetric    

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Experimental and kinetic study on laminar flame speeds of ammonia/syngas/air at a high temperature and

《能源前沿（英文）》 2022年 第16卷 第2期   页码 263-276 doi: 10.1007/s11708-021-0791-7

摘要： The laminar flame speeds of ammonia mixed with syngas at a high pressure, temperature, and different syngas ratios were measured. The data obtained were fitted at different pressures, temperatures, syngas ratios, and equivalence ratios. Four kinetic models (the Glarborg model, Shrestha model, Mei model, and Han model) were compared and validated with experimental data. Pathway, sensitivity and radical pool analysis are conducted to find out the deep kinetic insight on ammonia oxidation and NO formation. The pathway analysis shows that H abstraction reactions and NHi combination reactions play important roles in ammonia oxidation. NO formation is closely related to H, OH, the O radical produced, and formation reactions. NO is mainly formed from reaction, HNO+ H= NO+ H2. Furthermore, both ammonia oxidation and NO formation are sensitive to small radical reactions and ammonia related reactions.

关键词： ammonia mixed with syngas     laminar flame speed     kinetic model     sensitivity analysis     pathway analysis    

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Kinetic study of hydrodesulfurization of coker gas oil in a slurry reactor

Haiding XIANG, Tiefeng WANG

《化学科学与工程前沿（英文）》 2013年 第7卷 第2期   页码 139-144 doi: 10.1007/s11705-013-1323-8

摘要： Coker gas oil (CGO) is a poor-quality feedstock for fluidized bed catalytic cracking (FCC) or hydrocracking. The pretreatment of CGO, especially hydrotreating, can significantly improve the product quality and protect the catalyst. In this work, we studied the hydrodesulfurization (HDS) of CGO in a slurry reactor. All the experiments were carried out in an autoclave using a NiMo/Al O catalyst at reaction temperature 340°C–400°C, pressure 6–10 MPa, and stirring speed 800 r·min , with hydrogen-to-oil ratio in the range of 500–1500. The effects of the operating parameters on the desulfurization ratio were investigated and discussed. A macro reaction kinetic model was established for the HDS of CGO in the slurry reactor.

关键词： coker gas oil     hydrodesulfurization     slurry reactor     reaction kinetic model    

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for damage detection in functionally graded carbon nanotube-reinforced composite plates using modal kinetic

《结构与土木工程前沿（英文）》 2021年 第15卷 第6期   页码 1453-1479 doi: 10.1007/s11709-021-0767-z

摘要： This paper proposes a new Deep Feed-forward Neural Network (DFNN) approach for damage detection in functionally graded carbon nanotube-reinforced composite (FG-CNTRC) plates. In the proposed approach, the DFNN model is developed based on a data set containing 20 000 samples of damage scenarios, obtained via finite element (FE) simulation, of the FG-CNTRC plates. The elemental modal kinetic energy (MKE) values, calculated from natural frequencies and translational nodal displacements of the structures, are utilized as input of the DFNN model while the damage locations and corresponding severities are considered as output. The state-of-the art Exponential Linear Units (ELU) activation function and the Adamax algorithm are employed to train the DFNN model. Additionally, in order to enhance the performance of the DFNN model, the mini-batch and early-stopping techniques are applied to the training process. A trial-and-error procedure is implemented to determine suitable parameters of the network such as the number of hidden layers and the number of neurons in each layer. The accuracy and capability of the proposed DFNN model are illustrated through two distinct configurations of the CNT-fibers constituting the FG-CNTRC plates including uniform distribution (UD) and functionally graded-V distribution (FG-VD). Furthermore, the performance and stability of the DFNN model with the consideration of noise effects on the input data are also investigated. Obtained results indicate that the proposed DFNN model is able to give sufficiently accurate damage detection outcomes for the FG-CNTRC plates for both cases of noise-free and noise-influenced data.

关键词： damage detection     deep feed-forward neural networks     functionally graded carbon nanotube-reinforced composite plates     modal kinetic energy    

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Application of micro-genetic algorithm for calibration of kinetic parameters in HCCI engine combustion

HUANG Haozhong, SU Wanhua

《能源前沿（英文）》 2008年 第2卷 第1期   页码 86-92 doi: 10.1007/s11708-008-0003-8

摘要： The micro-genetic algorithm (?GA) as a highly effective optimization method, is applied to calibrate to a newly developed reduced chemical kinetic model (40 species and 62 reactions) for the homogeneous charge compression ignition (HCCI) combustion of -heptane to improve its autoignition predictions for different engine operating conditions. The seven kinetic parameters of the calibrated model are determined using a combination of the Micro-Genetic Algorithm and the SENKIN program of CHEMKIN chemical kinetics software package. Simulation results show that the autoignition predictions of the calibrated model agree better with those of the detailed chemical kinetic model (544 species and 2 446 reactions) than the original model over the range of equivalence ratios from 0.1–1.3 and temperature from 300–3 000 K. The results of this study have demonstrated that the mGA is an effective tool to facilitate the calibration of a large number of kinetic parameters in a reduced kinetic model.

关键词： homogeneous     different     combustion     autoignition     compression    

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Prediction of high-density polyethylene pyrolysis using kinetic parameters based on thermogravimetric

《环境科学与工程前沿（英文）》 2023年 第17卷 第1期 doi: 10.1007/s11783-023-1606-3

摘要：

● Reducting the sampling frequency can enhance the modelling process.

关键词： HDPE     Pyrolysis     Kinetics     Thermogravimetric     ANOVA     Artificial neural network    

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Simultaneous removal of NO and chlorobenzene on VO/TiO granular catalyst: Kinetic study and performance

《环境科学与工程前沿（英文）》 2021年 第15卷 第4期 doi: 10.1007/s11783-020-1363-5

摘要：

• A V2O5/TiO2 granular catalyst for simultaneous removal of NO and chlorobenzene.

关键词： NOx     Chlorobenzene     Simultaneous removal     Kinetic study     Performance prediction     V2O5/TiO2     Graphical abstract    

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Oxidation-extraction desulfurization of model oil over Zr-ZSM-5/SBA-15 and kinetic study

Chuanzhu LU,Hui FU,Huipeng LI,Hua ZHAO,Tianfeng CAI

《化学科学与工程前沿（英文）》 2014年 第8卷 第2期   页码 203-211 doi: 10.1007/s11705-014-1420-3

摘要： ZSM-5/SBA-15 composite molecular sieves were synthesized using post-synthesis method and characterized by X-ray diffraction and N adsorption-desorption. The oxidative-extration desulfurization of model oil was investigated by using hydrogen peroxide as the oxidant, tetrabutyl ammonium bromide as phase transfer catalyst, dimethyl sulfoxide as extractant, and Zr-ZSM-5/SBA-15, Ag-ZSM-5/SBA-15, Ce-ZSM-5/SBA-15 as catalyst. Under the optimal conditions, the desulfurization rate decreases in the order: Zr-ZSM-5/SBA-15>Ce-ZSM-5/SBA-15>Ag-ZSM-5/SBA-15. The highest desulfurization rate is 84.53% under the catalysis of Zr-ZSM-5/SBA-15. Kinetics analysis shows that the reaction is pseudo-first-order with the activation energy of 44.23 kJ/mol.

关键词： composite molecular sieve     oxidation desulfuration     extraction     kinetic    

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标题 作者 时间 类型 操作

Electrocoagulation process for the treatment of metal-plating wastewater: Kinetic modeling and energy

Fatih Ilhan, Kubra Ulucan-Altuntas, Yasar Avsar, Ugur Kurt, Arslan Saral

期刊论文

Reduced kinetic mechanism of -heptane oxidation in modeling polycyclic aromatic hydrocarbon formation

ZHONG Beijing, XI Jun

期刊论文

Kinetic study of the methanol to olefin process on a SAPO-34 catalyst

Mehdi SEDIGHI,Kamyar KEYVANLOO

期刊论文

photoreduction process in a laboratory-scale photoreactor by computational fluid dynamic and reaction kineticmodeling

期刊论文

Catalytic process modeling and sensitivity analysis of alkylation of benzene with ethanol over MIL-101

Ehsan Rahmani, Mohammad Rahmani

期刊论文

Comparison and modeling of two biofilm processes applied to decentralized wastewater treatment

Guanglei QIU, Yonghui SONG, Peng YUAN, Liancheng XIANG, Jianfeng PENG, Ping ZENG,

期刊论文

ALKALINE PRETREATMENT AND AIR MIXING FOR IMPROVEMENT OF METHANE PRODUCTION FROM ANAEROBIC CO-DIGESTION OF POULTRY LITTER WITH WHEAT STRAW

期刊论文

Thermogravimetric kinetic analysis of

SUKARNI,SUDJITO,Nurkholis HAMIDI,Uun YANUHAR,I.N.G. WARDANA

期刊论文

Experimental and kinetic study on laminar flame speeds of ammonia/syngas/air at a high temperature and

期刊论文

Kinetic study of hydrodesulfurization of coker gas oil in a slurry reactor

Haiding XIANG, Tiefeng WANG

期刊论文

for damage detection in functionally graded carbon nanotube-reinforced composite plates using modal kinetic

期刊论文

Application of micro-genetic algorithm for calibration of kinetic parameters in HCCI engine combustion

HUANG Haozhong, SU Wanhua

期刊论文

Prediction of high-density polyethylene pyrolysis using kinetic parameters based on thermogravimetric

期刊论文

Simultaneous removal of NO and chlorobenzene on VO/TiO granular catalyst: Kinetic study and performance

期刊论文

Oxidation-extraction desulfurization of model oil over Zr-ZSM-5/SBA-15 and kinetic study

Chuanzhu LU,Hui FU,Huipeng LI,Hua ZHAO,Tianfeng CAI

期刊论文