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Model-based thermodynamic analysis of supercritical water gasification of oil-containing wastewater

FUEL 2021年 306卷 121767-121767页

作者： Xu, Jialing Peng, Zhiyong Rong, Siqi Jin, Hui Guo, Liejin Zhang, Xiang Zhou, Teng Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn 28 Xianning West Rd Xian 710049 Peoples R China Otto von Guericke Univ Proc Syst Engn Univ Pl 2 D-39106 Magdeburg Germany Max Planck Inst Dynam Complex Tech Syst Proc Syst Engn Sandtorstr 1 D-39106 Magdeburg Germany

Supercritical water gasification (SCWG) is a promising technology for oil-containing wastewater treatment. In this work, a non-stoichiometric two-phase (i.e., supercritical and solid phases) model is established for the thermodynamic analysis of SCWG of oil-containing wastewater. Within the model, the compositions of gaseous and solid products are calculated by minimizing the Gibbs free energy of the whole system. Peng-Robinson equation is employed to help predict the chemical potentials of gases accurately. The introduced model is first validated to fit experimental data well. Afterwards, the model is used to investigate the effects of various operating conditions on product compositions. A high temperature and a low oil concentration promote hydrogen production, instead of methane production. Additionally, it is found whether and how much char is formed greatly depends on the temperature and elemental compositions in the input stream. Moreover, the reaction heat duty and high heating value of gaseous products are analyzed. SCWG process is endothermic with a low oil concentration and can be energetically self-sustainable via adding O2 at an expense of lowering the heating value of gaseous products. The obtained results can provide useful insights on designing optimal SCWG process for treating oil-containing wastewater.

关键词： Supercritical water gasification Thermodynamic analysis Oil-containing wastewater Two-phase

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Firmly coating carbon nanoparticles onto titanium as high performance anodes in microbial fuel cells

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ELECTROCHIMICA ACTA 2021年 399卷 139416-139416页

作者： Pu, Kai-Bo Zhang, Kai Guo, Kun Min, Booki Chen, Qing-Yun Wang, Yun-Hai Xi An Jiao Tong Univ Dept Environm Sci & Engn Xian 710049 Peoples R China Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Xi An Jiao Tong Univ Dept Chem Engn Xian 710049 Peoples R China Kyung Hee Univ Dept Environm Sci & Engn Seoul South Korea

A microbial fuel cell (MFC) is a typical bio-electrochemical system for both wastewater treatment and green energy production. The bioanode is a key factor that affects the performance of MFC. In this study, a novel and low-cost carbon nanoparticles (CNPs) coated titanium bioanode (CNPs/Ti) was prepared. Compared with previous candle soot derived CNPs coating method, the present coating method includes further fuel combustion and heat treatment to improve the film adhesion and hydrophilic properties. This CNPs/Ti bioanode showed not only higher surface area and conductivity but also better biocompatibility. After CNPs modification, the maximal power density increased from 0.625 mW m - 2 to 616 mW m - 2 . This power density is also comparable to some carbon materials. Meanwhile, the CNPs/Ti anode was cost-effective. Therefore, this CNPs/Ti composite is a promising anode material in MFCs. (c) 2021 Elsevier Ltd. All rights reserved.

关键词： Carbon nanoparticles Microbial fuel cells Coating Titanium Candle soot

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Molecular interactions in liquid mixtures containing o-cresol and 1-alkanols: Thermodynamics, FT-IR and computational studies

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JOURNAL OF MOLECULAR LIQUIDS 2020年 305卷 112798-112798页

作者： Karlapudi, S. Liu, Z. Bi, Q. Govinda, V Bahadur, I Baswanth, O. Prasad, Ch Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China North West Univ Mat Sci Innovat & Modelling MaSIM Focus Area Fac Nat & Agr Sci Sch Phys & Chem SciDept Chem Mafikeng CampusPrivate Bag X2046 ZA-2735 Mmabatho South Africa Gitam Univ Dept Chem Visakhapatnam Andhra Pradesh India Sri Venkateswara Univ Dept Chem Tirupati Andhra Pradesh India

To investigate the nature and class of association forces between the pure liquids and their liquid mixtures, we have been analyzed with excess thermodynamic properties, spectroscopic and computational techniques. Although, the thermodynamic parameters such as excess volume (V-E), isentropic compressibility (k(s)) and excess isentropic compressibility (k(s)(E)) have been calculated using the experimental data of density (rho) and speeds of sound (u) of o-cresol with 1-alkanols (C-3-C-8) namely, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol and 1-octanol at different temperatures from 25 to 40 degrees C with interval of 5 degrees C and at 0.1 MPa. The calculated excess and deviation functions have been fitted to the Redlich-Kister polynomial equation and the results have been analyzed in terms of molecular interactions and structural effects. However, the FT-IR data strongly supports the presence of intra- and intermolecular interactions between component molecules in the liquid mixtures through changing the stretching vibrational frequency of various functional groups of pure liquids. In addition, the hydrogen bonding features between o-cresol with different 1-alkanols were examined by using a molecular modeling program with the help of density functional theory (DFT - B3LYP), the optimized geometries, bond characteristics, natural bond orbital (NBO) and interaction energies of pure components and their complexes have been analyzed theoretically to recognize the nature and strength of interactions between o-cresol and 1-alkanols. (C) 2020 Elsevier B.V. All rights reserved.

关键词： Excess volume Excess isentropic compressibility Redlich-Kister FT-IR Density functional theory

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Statistical characterization of gas-liquid flow in swirl vane separator with image processing technique 18

Statistical characterization of gas-liquid flow in swirl van...

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18th International Topical Meeting on Nuclear Reactor Thermal Hydraulics, NURETH 2019

作者： Liu, Li Bai, Bofeng School of Nuclear Science and Engineering Shanghai Jiao Tong University Shanghai200240 China State Key Laboratory of Multiphase Flow in Power Engineering Xi’an Jiaotong University Shaanxi710049 China

Swirl vane separator is not only used in SG for separating more than 80% of liquid water from steam-water mixture to feed qualified steam to dryers and turbines, but also applied in the thorium molten salt reactor to remove dilute dispersed bubbles from reactor coolant. The proper design and operation of swirl vane separator requires a fundamental understanding of the gas-liquid flow pattern in the system, since the mass, momentum, and energy transfer rates and processes are quite sensitive to the distribution of the phases within the flow. This paper presents a comprehensive experimental study aimed at classifying flow patterns in the condition of swirling gas-liquid flow in a downscale swirl vane separator. While a large amount of work has been done on conventional, non-swirling, two-phase flow in small pipes, investigations on swirling flow regime classification are still scarce. Here, optical and image processing techniques are used to measure gas and liquid holdup in the system through time. Detailed qualitative description of the flow regimes observed in the experiment is provided. The temporal statistics of liquid holdup (PDF and CPDF) are also analyzed to characterize and distinguish the various swirling flow regimes objectively. Based on this study, the influence of centrifugal force on phase distribution of gas-liquid flow was clarified and the general relationship between swirling gas-liquid flow and non-swirling gas-liquid flow was gained. © 2019 American Nuclear Society. All rights reserved.

关键词： Image processing

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Numerical investigation on erosion characteristics of coplanar elbows connection for gas-solid flow

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Energy Procedia 2019年 158卷 5245-5250页

作者： Yu Wang Rongtang Liu Ming Liu Junjie Yan State Key Laboratory of Multiphase Flow in Power Engineering School of Energy & Power Engineering Xi’an Jiaotong University Xi’an Shaanxi

Elbows are used widely in power plants. The erosive problems of the pipelines influence the performance of pipe system. Continuous arrangement of elbows is often necessary due to the limit of external space and connection length between elbows is short under the circumstance. The interaction between two elbows has influence on the flow field and erosion characteristics of elbows connection. The erosion distribution in coplanar elbow connection was presented and erosion characteristics of two kinds of coplanar elbows connection were obtained. The effects of inlet velocity and mass loading rate on maximum erosion rate were investigated. Results suggested the maximum wear rate increased exponentially with inlet velocity and increased linearly with mass loading rate.

关键词： Elbows connection Erosion characteristics Numerical simulation Gas-solid flow

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Selective electrochemical H2O2 generation on the graphene aerogel for efficient electro-Fenton degradation of ciprofloxacin

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SEPARATION AND PURIFICATION TECHNOLOGY 2021年 272卷 118884-118884页

作者： Wang, Yujing Chen, Jian Gao, Junxia Meng, Hongshan Chai, Shouning Jian, Yanfei Shi, Limin Wang, Yanbin He, Chi Xian Technol Univ Sch Mat Sci & Chem Engn Shaanxi Key Lab Optoelect Funct Mat & Devices Xian 710021 Shaanxi Peoples R China Xi An Jiao Tong Univ Sch Energy & Power Engn Dept Environm Sci & Engn State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China Henan Normal Univ Sch Environm Henan Key Lab Environm Pollut ControlMinist Educ Key Lab Yellow River & Huai River Water Environm Xinxiang 453007 Henan Peoples R China Environm Affairs Ctr Jining High Tech Ind Dev Zon Jining 272000 Shandong Peoples R China

A novel cathode of macroporous graphene aerogel (GA) with high specific surface area was proposed for the electro-Fenton (E-Fenton) system. The GA was prepared by reduction self-assembly method. The physicochemical properties were characterized in details. The GA displayed a low electrochemical resistance and exhibited an excellent electrocatalytic activity. Comparing with the traditional carbon fiber and graphite felt cathodes, the GA cathode showed more positive oxygen reduction potential of 0.07 V (versus saturated calomel electrode). In E-Fenton system, H2O2 could be in situ electro-generated efficiently and continuously via a twoelectron oxygen reduction reaction on the GA cathode. The electron transfer number n was calculated to be 1.0-2.0 for GA. The production of H2O2 of 107.6 mg L-1 was obtained for GA in 90 min. Good performance was exhibited to degrade antibiotic ciprofloxacin. Results showed that nearly 100% ciprofloxacin degradation ratio and 91% TOC removal were achieved in 90 min and 120 min, respectively, which were much higher than control groups. The mineralization current efficiency was 12.75% in 30 min. It was attributed to the plenty of macropores of GA acted as reaction trap to accelerate electro-generated H2O2 decomposing by Fe2+ to form OH efficiently, which was verified by probe molecule trapping experiments and electron paramagnetic resonance analysis. Simultaneously, the strong charge transfer ability of GA was beneficial to the conversion of Fe3+/Fe2+. The GA also presented distinguished reusability and stability. Therefore, GA is a promising candidate material for E-Fenton cathode due to low cost, high efficient and corrosion resistance.

关键词： Advanced oxidation processes Oxygen reduction reaction Pharmaceutical wastewater Macroporous electrode Decomposition pathways

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Anchoring group regulation in semiconductor/molecular complex hybrid photoelectrode for photoelectrochemical water splitting

Smart Molecules

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Smart Molecules 2024年

作者： Xiangyan Chen Fujun Niu Tongxiang Ma Qingyu Li Shaopeng Wang Shaohua Shen Northwest Institute for Non-ferrous Metal Research Xi'an Shaanxi China School of Advanced Energy Shenzhen Campus of Sun Yat-sen University Shenzhen China State Key Laboratory of Multiphase Flow in Power Engineering International Research Center for Renewable Energy Xi'an Jiaotong University Xi'an Shaanxi China

Rational interface engineering via regulating the anchoring groups between molecular catalysts and light-absorbing semiconductors is essential and emergent to stabilize the semiconductor/molecular complex interaction and facilitate the photocarriers transport, thus realizing highly active and stable photoelectrochemical (PEC) water splitting. In this mini review, following a showcasing of the fundamental details of hybrid PEC systems containing semiconductor photoelectrodes and molecular catalysts for water splitting, the state-of-the-art progress of anchoring group regulation at semiconductor/molecular complex interface for efficient and stable PEC water splitting, as well as its effect on charge transfer kinetics, are comprehensively reviewed. Finally, potential research directions aimed at building high-efficiency hybrid PEC water splitting systems are summarized.

关键词： anchoring groups hybrid systems molecular catalysts photoelectrochemical water splitting semiconductor photoelectrodes

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Optimization design of flue gas temperature for Low-Low Temperature Electrostatic Precipitator 3

Optimization design of flue gas temperature for Low-Low Temp...

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3rd International Conference on Fluid Mechanics and Industrial Applications (FMIA)

作者： Sun, Ke Yan, Yu Jiang, Jiahao Deng, Lei Xi An Jiao Tong Univ Sch Energy & Power Engn State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Huadian Elect Power Res Inst Co LTD Hangzhou 310030 Peoples R China

Low temperature corrosion is one of the key issues in application of low-low temperature electrostatic precipitator. The concentration of SO3 affects the acid dew point temperature of flue gas. The exhaust temperature after the air preheater should be higher than the acid dew point temperature. The residual heat of flue gas is fully utilized by the low-temperature economizer. The efficiency of low-low temperature electrostatic precipitator is improved by the comprehensive effect of the condensation of SO3 on the surface of the fine particles, the decrease of the specific resistance of the particles and the agglomeration of the fine particles.

关键词： Electrostatic precipitators

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Effects of inorganic salt ions on the oil-water wettability of quartz surfaces

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CHINESE SCIENCE BULLETIN-CHINESE 2020年第25期65卷 2775-2782页

作者： Sun, Chengzhen Liu, Mei Bai, Bofeng Wu, Jiazhong Shi, Yongbing Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China PetroChina Res Inst Petr Explorat & Dev State Key Lab Enhanced Oil Recovery Beijing 100083 Peoples R China Xian Changqing Chem Engn Grp Co Ltd Xian 710021 Peoples R China

The oil-water wettability in reservoir rock plays an important role in the recovery' of crude oil. However, the mechanism of wettability transition on reservoir rock surfaces after low salinity water injection is still controversial. In this paper, the influence of inorganic salt ions in water on the wettability of the rock surfaces with the adsorption of polar molecules and its mechanisms were studied. Amines commonly found in crude oil were selected to represent base polar components in oil, and a highly idealized experimental model was used to exclude the influence of various components and other effects in crude oil. By measuring the oil-water contact angle on the quartz surface, the influence of various salt ion concentration in water on the wettability of quartz in the presence of base polar molecule in oil was obtained, and the mechanism of wettability alteration was analyzed by Zeta potential and AFM measurement. The experiment result showed that, the cleaned surface of quartz was water-wet, when 0.1 mmol/L octadecylamine was added to decane. the contact angle rose to about 42 degrees, that is, the surface of the quartz became more oil-wet. When salts with different kinds and concentrations were added to water, the water contact angles decreased sharply with the increase of the concentration of ions. The contact angles of NaCl solutions and KCl solutions were basically the same at the same concentrations. However, at low concentrations, the CaCl2 solutions reduced the contact angles more than the NaCl solutions. The contact angles of Na2SO4 solutions were smaller than those of NaCl solutions at low concentrations, while the contact angles of Na2SO4 solutions were similar to those of NaCl solutions at higher concentrations. When the ion concentrations reached a certain level, the contact angles of different solutions all tended to be about 15 degrees, which indicated that the ions desorbed basically all of the adsorbed polar molecules, leading to the change o

关键词： wettability contact angle polar molecules ions multiphase flow

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Regulate chemical environment to control the formation of defects on Ta3N5 (110) surface: From theoretical perspectives

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CHEMICAL PHYSICS LETTERS 2021年 782卷 139026-139026页

作者： Chen, Guijun Si, Yitao Li, Mingtao Zhou, Zhaohui Yu, Tao Liu, Yingzhe Liu, Maochang Xi An Jiao Tong Univ Int Res Ctr Renewable Energy State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China Changan Univ Sch Environm Sci & Engn Key Lab Subsurface Hydrol & Ecol Effects Arid Reg Chem Engn & TechnolMinist Educ Xian 710064 Shaanxi Peoples R China Xian Modern Chem Res Inst State Key Lab Fluorine & Nitrogen Chem Xian 710065 Shaanxi Peoples R China Xi An Jiao Tong Univ Suzhou Acad Suzhou 215123 Jiangsu Peoples R China

The defect properties of Ta3N5 (110) surface are studied by first-principles calculation. We focus on the formation of three typical defects, oxygen impurity, nitrogen vacancy, and magnesium impurity and further emphasize their roles on changing the electronic structure and band edge position of the surface. Our results show that Mg is more easily doped on (110) surface in nitrogen-rich condition, in which the formation of co defects is energetically more favorable. These co-defects can reduce the influence of single defects on the electronic structure and band edge position of the (1 1 0) surface.

关键词： Ta3N5 First-principles calculation Defect

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