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Computational fluid dynamics simulation of hydrodynamics in the riser of an external loop airlift reactor

Particuology 2016年第4期14卷 95-101页

作者： Xuedong Jiang Ning Yang Bolun Yang Department of Chemical Engineering State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China Center for Mesoscience and State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences Beijing 100190 China

Local hydrodynamics in the riser of an external loop airlift reactor （EL-ALR） are identified and the performances of three drag models are evaluated in computational fluid dynamics simulation. The simulation results show that the Schiller-Naumann drag model underestimated the local gas holdup at lower superficial gas velocity whereas the Tomiyama drag model overestimated that at higher superficial gas velocity. By contrast, the dual-bubble-size （DBS）-local drag model gave more reasonable radial and axial distri-butions of gas holdup in all cases. The reason is that the DBS-local drag model gave correct values of the lumped parameter, i,e., the ratio of the drag coefficient to bubble diameter, for varying operating conditions and radial positions. This ratio is reasonably expected to decrease with increasing superficial gas velocity and be smaller in the center and larger near the wall. Only the DBS-local drag model correctly reproduced these trends. The radial profiles of the axial velocity of the liquid and gas predicted by the DBS-local model also agreed well with experimental data.

关键词： Computational fluid dynamics External loop airlift reactor Drag model Gas holdup Mnltiscale Mesoscale

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

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Frontiers in Energy 2022年第2期16卷 263-276页

作者： Geyuan YIN Chaojun WANG Meng ZHOU Yajie ZHOU Erjiang HU Zuohua HUANG State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong UniversityXi’an 710049China Key Laboratory for Thermal Science and Power Engineering of the Ministry of Education Department of Thermal EngineeringTsinghua UniversityBeijing 100084China

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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Hierarchical growth of a novel Mn-Bi coupled BiVO4 arrays for enhanced photoelectrochemical water splitting

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Nano Research 2019年第3期12卷 575-580页

作者： Lu Wang Jinzhan Su Liejin Guo International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power Engineering School cf Energy & Power Engineering Xian Jiaotong University Xian 710049 China

Oxygen evolving catalyst (OEC) is a critical determinant for the efficiency of photoelectrochemical (PEC) water splitting. Here we report an approach to depositing a novel manganese borate (Mn-Bi) OER catalyst on BiVO4 nanocone photoanode by photodeposition in sodium borate buffer solution containing Mn(Ⅱ) ions. Due to the spontaneous photo-electric-field-enhancement effect at the vertically oriented BiVO4 nanocone structure, spherical Mn-Bi nanoparticle was selectively photodeposited at the apex of BiVO4 nanocone. Significant improvement of photocurrent was observed for the obtained hierarchical Mn-Bi/BiVO4 photoanode which could be ascribed to enhanced hole injection efficiency, especially in low bias region. It was observed that the injection efficiency of Mn-Bi/BiVO4 is 98% which gave a photocurrent of 0.94 mA/cm^2 at 1.5 V vs. RHE.

关键词： bismuth vanadate photoelectrochemistry solar water splitting oxygen evolution

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Room-temperature photodeposition of conformal transition metal based cocatalysts on BiVO4 for enhanced photoelectrochemical water splitting

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Nano Research 2020年第1期13卷 231-237页

作者： Lu Wang Tao Zhang Jinzhan Su Liejin Guo International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringSchool of Energy&Power EngineeringXi’an Jiaotong UniversityXi’an710049China

Photoelectrochemical(PEC)water splitting using semiconductors offers a promising way to convert renewable solar energy to clean hydrogen ***,due to the sluggish reaction kinetics of water oxidation,significant charge recombination occurred at the photoanode/electrolyte interface and cause decrease of its PEC *** reduce the surface recombination,we deposit different transition metal complexes on BiVO4 nanocone arrays by a versatile light driven in-situ two electrode photodeposition approach without applied *** cobalt phosphate“Co-Pi”,nickel borate“Ni-Bi”and manganese phosphate“Mn-Pi”complexes were deposited on BiVO4 nanocone arrays to form core-shell structure photoanode,all of which lead to enhanced photoelectrochemical *** photocurrent of the Co-Pi/BiVO4 photoanode under front-side illumination for 5 min is increased by 4 folds comparing to that of bare BiVO4 photoanode at 0.6 V ***,reaching a hole transfer efficiency as high as 94.5%at 1.23 V *** proposed photodeposition strategy is simple and efficient,and can be extended to deposite cocatalyst on other semiconductors with a valence band edge located at a potential more positive than the oxidation potential of transition metal ion in the cocatalyst.

关键词： bismuth vanadate photoelectrochemcial water splitting conformal photodeposition cocatalyst

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Study on the self-diffusion coefficients of binary mixtures of supercritical water and H 2 , CO, CO 2 , CH 4 confined in carbon nanotubes

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Water Research 2025年 283卷 123856页

作者： Bowei Zhang Xiaoyu Li Jie Zhang Junying Wang Hui Jin State Key Laboratory of Multiphase Flow in Power Engineering (SKLMF) Xi’an Jiaotong University 28 Xianning West Road Xi’an 710049 Shaanxi PR China

Nano-confined binary mixtures are prevalent in the chemical industry, geology, and energy sectors. Investigating their mass transfer behavior can enhance process intensification. This study examines the confined self-diffusion coefficients of binary mixtures of supercritical water (SCW) with H 2 , CO, CO 2 and CH 4 in carbon nanotubes (CNT) using molecular dynamics (MD) simulations at temperatures of 673-973 K, a pressure of 25-28 MPa, solute molar concentrations of 0.01-0.3, and CNT diameters of 9.49-29.83 Å. We developed a novel machine learning (ML) clustering method to optimize abnormal MSD- t data, effectively extracting information and providing algorithmic enhancements for calculating the diffusion coefficient. We analyzed the effects of temperature, solute molar concentration, and CNT diameter on the confined self-diffusion coefficient and energy input. Results indicate that over 60 % of the solute energy input derives from the Lennard-Jones effect of the CNT wall. The confined self-diffusion coefficient of solutes increases linearly with temperature, saturates with increasing CNT diameter, and remains relatively constant with varying concentration. Finally, based on the unique relationship between CNTs and the confined self-diffusion coefficient, we developed a new mathematical model for prediction. The regression line exhibits an R 2 value of 0.9789, offering a new method for predicting the properties of nano-confined fluids.

关键词： Chemical industry

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A systematic improvement of the high-quality temperature field reconstruction for acoustic pyrometry

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Case Studies in Thermal engineering 2025年 72卷

作者： Jingkao Tan Na Li Qulan Zhou Yanyuan Hu Lehang Chen Zhongquan Gao Jie Zhou State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China Xi'an Aerospace Propulsion Institute Xi'an 710100 China

Obtaining an accurate temperature distribution in furnaces for industrial combustion devices is critical. Acoustic pyrometry (AP) is a promising methodology for high-quality temperature field reconstruction, which is widely used in the monitoring of atmosphere, room, and furnace. However, due to the harsh working environment and the engineering limitations, the number of installed acoustic transducers is restricted, which in turn results in sparse valid data and an ill-posed AP problem. We used multiple means of improvement to improve the reconstruction performance of AP in a gradual and systematic manner. The fast finite-difference shooting method, the adaptive grid evolution strategy (AGES) and the radial basis function approximation with polynomial reproduction (RBFPR) were proposed and integrated into the sequential process optimization approach we concluded to systematically improve the reconstruction performance over the initial algorithm. In this approach, we optimized the parameters used for the reconstruction sequentially, analyzed the effectiveness of various means of improvement, finalized and validated an algorithm that takes into account universality and precision. Qualitative and quantitative analyses of the simulation and experimental results show the validity of the finalized algorithm and the sequential process optimization approach, demonstrating its significance for furnace temperature field measurement, combustion control, and environmental protection.

关键词： Inverse problem Acoustic pyrometry Acoustic tomography Acoustic refraction Algorithm improvement Domain discretization Temperature field reconstruction

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Implementation of an efficient segregated algorithm-IDEAL on 3D collocated grid system

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Chinese Science Bulletin 2009年第6期54卷 929-942页

作者： SUN DongLiang QU ZhiGuo HE YaLing Tao WenQuan State Key Laboratory of Multiphase Flow in Power Engineering School of Energy & Power Engineering Xi'an Jiaotong University Xi'an 710049 China

The segregated algorithm-IDEAL (inner doubly-iterative efficient algorithm for linked-equations) is an efficient and stable algorithm. In this algorithm, there exist inner doubly-iterative processes for pres-sure equation, which almost completely overcome two approximations in SIMPLE algorithm. Thus the coupling between velocity and pressure is fully guaranteed, greatly enhancing the convergence rate and stability of iteration process. In this paper, implementation of the IDEAL algorithm on a 3D collo-cated grid system is conducted. The interface velocity is calculated by the modified momentum inter-polation method (MMIM), by which the converged result is independent of the under-relaxation factor. Finally, five three-dimensional incompressible fluid flow and heat transfer problems are provided to compare the convergence rate and robustness between the IDEAL and three other most widely-used algorithms (SIMPLER, SIMPLEC and PISO). By the comparison it can be concluded that the IDEAL al-gorithm is more robust and efficient than the three other algorithms.

关键词：隔离算法网格系统理想 SIMPLE算法 3D 压力方程收敛速度迭代过程

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Synthesis and application of transition metal phosphides as electrocatalyst for water splitting

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Science Bulletin 2017年第9期62卷 633-644页

作者： Jinzhan Su Jinglan Zhou Lu Wang Cong Liu Yubin Chen International Research Center for Renewable Energy (IRCRE) State Key Laboratory for Multiphase Flow in Power Engineering Xi'an Jiaotong University Xi'an 710049 China

With continuous research on photocatalytic water splitting, searching for efficient catalyst for hydrogen evolution reaction(HER) becomes popular topic in addition to main catalyst research. Transition metal phosphides are receiving intense attention due to its abundance in the Earth's crust and comparable catalytic properties to noble metals. In this review, the synthesis approaches, HER reaction mechanism,photocatalytic activity, approaches to improve the activity of transition metal phosphides were reviewed and discussed. It was showed that the transition metal phosphides have great potential to reduce the cost of photocatalyst and promising application on water splitting. The stability problem and participation of poisonous reactant and product in its synthesis reaction limit its application and developing in a certain extent, but with the continuous efforts on the development and improvement of the synthesis methods,transition metal phosphides will find wide application in water splitting.

关键词： Transition metal phosphide Electrocatalyst HER Photocatalytic water splitting

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Experimental analysis on adjusting performance of vapor-liquid two-phase flow controller

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Journal of Harbin Institute of Technology(New Series) 2006年第5期13卷 525-530页

作者：李慧君屠珊 School of Energy and Power Engineering North China Electric Power UniversityBaoding 071003ChinaState Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityXi'an 710049China State Key Laboratory of Multiphase Flow in Power Engineering Xi'an Jiaotong UniversityXi'an 710049China

The vapor-liquid self-adjusting controller is an innovative automatic regulating *** order to ensure adjusted objects run safely and economically,the controller automatically adjusts the liquid flux to keep liquid level at a required level according to physical properties of vapor-liquid two-phase *** adjusting mechanics,the controller’s performance and influencing factors of its stability have been analyzed in this *** theoretical analysis and successful applications have demonstrated this controller can keep the liquid level steady with good *** actual application in industry has shown that the controller can satisfactorily meet the requirement of industrial production and has wide application areas.

关键词： vapor-liquid two-phase flow adjusting performance liquid level controller

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Toward practical photoelectrochemical water splitting and CO_(2) reduction using earth-abundant materials

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Journal of Energy Chemistry 2021年第10期30卷 469-488,I0013页

作者： Yubin Chen Ya Liu Feng Wang Xiangjiu Guan Liejin Guo International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049ShaanxiChina

Photoelectrochemical(PEC)fuel generation from water splitting and CO_(2)reduction(CO_(2)R)utilizing solar energy holds immense potential to solve the current energy and environmental *** the past decades,numerous studies have been devoted to this fast-growing research field,and it is essential to develop efficient photoelectrodes with earth-abundant materials for the practical application of PEC systems.A thorough review of earth-abundant materials and associated devices for PEC fuel generation is beneficial to uncover the inherent obstacles and pave the way for future ***,we summarize the recent progress of earth-abundant light-absorbers and cocatalysts in the PEC *** unbiased configurations and scaling-up strategies of PEC devices using earth-abundant materials are examined.A comparison between PEC water splitting and CO_(2)R is carried out to promote better understanding of the design principles for practical materials and ***,the prospects on advanced materials,underlying mechanisms,and reaction systems of PEC water splitting and CO_(2)R are proposed.

关键词： Solar energy Photoelectrochemical technology Water splitting CO_(2)reduction Earth-abundant materials

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