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CO2 capture intensified by solvents with metal hydride

FUEL PROCESSING TECHNOLOGY 2021年 218卷 106859-106859页

作者： Zhou, Chenyang Yu, Yunsong Zhang, Chen Zhang, Jingfeng Zhang, Zaoxiao Wang, Geoff G. X. Xi An Jiao Tong Univ Sch Chem Engn & Technol 28 Xianning West Rd Xian 710049 Peoples R China XianJiaotong Univ State Key Lab Multiphase Flow Power Engn 28 Xianning West Rd Xian 710049 Peoples R China Univ Queensland Sch Chem Engn St Lucia Qld 4072 Australia

Carbon dioxide capture significantly helps achieve the carbon neutral goal. Chemical absorption of CO2 by the solvent meets the bottleneck of the high energy consumption. An advanced solvent of CuH/PANI/TEMPO has been developed to reduce the energy consumption. The metal hydride CuH decomposes into the Cu atom to intensify the thermoelectric effect between PANI and TEMPO. The strong thermoelectric effect has the potential to enhance the CO2 desorption. DFT model and mass and energy transfer model in the nano-scale are developed accurately to quantify the system of CO2 and CuH/PANI/TEMPO. The CO2 fraction, electron density and velocity in the nano-domain are studied. It is found that the symmetrical electron density zone is produced. The mass transfer coefficient is improved by 2.15 times with 4.65 x 10(-6)m/s and the energy consumption is reduced to 1.02GJ/tCO(2). The thermoelectric conversion accounts for 31.4%-43.5% of the overall energy transfer.

关键词： Solvent Carbon dioxide Thermoelectric effect Energy consumption

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Investigation of operation parameters on the removal efficiency of methyl orange pollutant by cellulose/zinc oxide hybrid aerogel

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CHEMOSPHERE 2021年 284卷 131320-131320页

作者： Hasanpour, Maryam Motahari, Siamak Jing, Dengwei Hatami, Mohammad Univ Tehran Coll Engn Sch Chem Engn Dept Polymer Engn Tehran 111554563 Iran Xi An Jiao Tong Univ Int Res Ctr Renewable Energy State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Ferdowsi Univ Mashhad Dept Mech Engn Mashhad 917751111 Razavi Khorasan Iran

In this study, Cellulose/Zinc Oxide-x (CA/ZnO-x) hybrid aerogel with various concentrations of Zn2+ ion is synthesized through the hydrothermal method and used for organic pollutant removal. The CA/ZnO-x hybrid aerogel was characterized by XRD, UV-Visible, DRS, FTIR, FESEM, EDS, BET, LC-MS-MS analyses. In the present study, CA/ZnO-x hybrid aerogel as photocatalyst was used to investigate the influence of the photocatalytic degradation of methyl orange (MO) from an aqueous solution under UV irradiation. The morphology of CA/ZnO-x hybrid aerogels exhibited that the ZnO rice grain-like shape were successfully synthesized on the cellulose aerogel matrix. Also, the influence of various factors such as photocatalyst dosage, pH, initial concentration of MO, and irradiation intensity was investigated on the photocatalytic degradation rate of MO. The results revealed that the highest degradation efficiency and mineralization rate of MO were about 99.02% and 51.68%, respectively, after 90 min under UV irradiation using CA/ZnO-0.4 photocatalyst when pH = 3, C-0 = 10 ppm, photocatalyst dose = 9 g L-1 under the 300 W UV light irradiation. Furthermore, the synthesized photocatalyst exhibited a considerable firmness and easily separated from an aqueous solution for reuse.

关键词： Cellulose Zinc oxide Three-dimensional aerogel Photocatalyst degradation Hydrothermal treatment Reusability

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The mechanism of carbon-addition-enhanced electrochemical kinetics

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CHEMICAL PHYSICS LETTERS 2019年 732卷 136665-000页

作者： Zheng, Yao-Ting He, Min Cheng, Guang-xu Zhang, Zaoxiao Xuan, Fu-Zhen Wang, Zhengdong Xi An Jiao Tong Univ Sch Chem Engn & Technol State Key Lab Multiphase Flow Power Engn Xian Shaanxi Peoples R China East China Univ Sci & Technol Minist Educ Key Lab Pressure Syst & Safety Shanghai Peoples R China

The lithiation process of carbon coated silicon nanoparticles is simulated using molecular dynamics simulation in order to unveil the kinetics mechanism. The simulation shows that lithium ions are activated by charged carbon coating under coulombic and Van der Waals force. The lithiation reaction is determined by the activation degree of Li ions which varies on the carbon density, not by the diffusion amount of Li ions. It can interpret well the abnormal phenomenon that bigger diffusion flux of lithium ions does not bring about faster lithiation reaction rate and reveals the shortcoming of Butler-Volmer model describing the charge-transfer/ions-diffusion-controlled electrochemical kinetics.

关键词： Electrochemical kinetics Carbon Activation Energy barrier Molecular dynamics simulation

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Characterizing the performance of a single atom fluid

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JOURNAL OF MOLECULAR LIQUIDS 2021年 341卷 117379-117379页

作者： Yu, Yunsong Zhang, Chen Zhang, Jingfeng Zhou, Chenyang Zhang, Zaoxiao Wang, Geoff G. X. Xi An Jiao Tong Univ Sch Chem Engn & Technol 28 Xianning West Rd Xian 710049 Peoples R China XianJiaotong Univ State Key Lab Multiphase Flow Power Engn 28 Xianning West Rd Xian 710049 Peoples R China Univ Queensland Sch Chem Engn St Lucia Qld 4072 Australia

In order to support the sustainable development goals, a new single atom fluid is developed where single atom coexistent in solvents mixture. The single atom fluid of Ni/PANI/PyBIG outstandings thermoelectric properties. This fluid simultaneously shows high activity and fluidity due to the intensification effect of single atom. The temperature, pressure and weight fraction of Ni are observed to significantly influence the thermoelectric effect and activity by experiment and DFT simulation. It is found that the Seebeck coefficient and potential are almost increased by 100% as the temperature difference increases from 40 K to 70 K. An increase of weight fraction from 0.1% to 0.4% improves the Seebeck coefficient and the potential by 49.92% and 1.66 times, respectively. An interesting slag phenomenon is also identified. The single atom fluid has wide industrial application value. Crown Copyright (C) 2021 Published by Elsevier B.V. All rights reserved.

关键词： Single atom fluid Thermoelectric effect Activity Stability Fluidity

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Effects of ash parameters and fluxing agent on slag layer behavior in cyclone barrel

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FUEL 2019年 253卷 1140-1148页

作者： Tang, Chunli Zhu, Tao Wang, Limin Deng, Lei Che, Defu Liu, Yanhua Xi An Jiao Tong Univ Sch Human Settlements & Civil Engn Xian 710049 Shaanxi Peoples R China Xi An Jiao Tong Univ Sch Energy & Power Engn State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China

The behavior of the slag layer is very important for the safe and efficient operation of the cyclone barrel of cyclone-fired boiler. Ash parameters are the key factors affecting the formation and evolution of the slag layer. In order to figure out whether a stable slag layer could be formed when the cyclone-fired boiler burns the coal with low ash content or burns the coal with high ash melting point mixed with various contents of fluxing agent, the effects of ash content and fluxing agent on slag layer behavior are numerically examined for a vertical cyclone barrel. The decrease in the ash content can significantly reduce the mass flux of the captured particles as well as the velocity of the liquid slag layer. However, a stable slag layer can still be formed on the internal surface of the cyclone barrel even when the coal with a low ash content of 6.77% is burned. When the mass ratio of the fluxing agent is increased, the area of the internal surface covered with slag layer expands, whereas the solid slag layer becomes thinner. The amount of the fluxing agent has an optimal value. For the studied coal, when the mass ratio of the fluxing agent is 2.8%, the area of the internal surface covered with the slag layer expanded by about 37%, compared with the case without fluxing agent.

关键词： Cyclone barrel Slag layer behavior Ash content Fluxing agent Numerical investigation

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Fluidization of Particles in Supercritical Water: A Comprehensive Study on Bubble Hydrodynamics

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INDUSTRIAL & engineering CHEMISTRY RESEARCH 2019年第5期58卷 2036-2051页

作者： Huang, Jikai Lu, Youjun Wang, Hao Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China Qilu Univ Technol Shandong Acad Sci Energy Res Inst Jinan 250014 Shandong Peoples R China

The supercritical water fluidized bed (SCWFB) is a new concept of reactor for coal and biomass gasification without releasing pollutants. In this paper, a special dual capacitance probe measurement system is developed and a comprehensive study on bubble hydrodynamics in SCWFB is carried out. Four groups of particles with different mean diameters were fluidized by supercritical water with the pressure ranges from 20 to 27 MPa and temperature ranges from 410 to 570 degrees C. The effect of operating parameters on bubble size, frequency, and rising velocity is discussed in detail. Special rules of bubble hydrodynamics are observed, and the theoretical mechanisms are revealed. New predicting correlations of bubble diameter and bubble rising velocity are proposed. The results in this paper expand the research of fluidization under extreme operating conditions and also provide useful guidance for the optimization of the reactor.

关键词： Extreme Condition size frequency Reactors Fluidisation OPERATING PARAMETER supercritical water mean diameter RISE RATE Hydrodynamics fuel gasification

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Process development of flue gas desulphurization wastewater treatment in coal-fired power plants towards zero liquid discharge: Energetic, economic and environmental analyses

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JOURNAL OF CLEANER PRODUCTION 2020年 261卷 121144-121144页

作者： Han, Xiaoqu Zhang, Dan Yan, Junjie Zhao, Shuran Liu, Jiping Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Xi An Jiao Tong Univ MOE Key Lab Thermal Fluid Sci & Engn Xian 710049 Peoples R China

yyyyZero emission of wastewater from coal-fired power plants (CFPPs) is one of the pathways for cleaner electricity production. It is expected that low-cost and reliable zero liquid discharge (ZLD) of flue gas desulphurization (FGD) wastewater will be achieved by applying the forced circulation multi-effect distillation and crystallization (FC-MEDC) technology. In the present work, different FGD wastewater ZLD processes were compared in terms of energy consumption, economic cost and environmental impact. The results suggest that the levelized cost of water (LCOW) could be reduced by the integration of pre-concentration and waste heat utilization with FC-MEDC. Typically, the LCOW could be reduced by 9.5% and 28.8% in reverse osmosis (RO) and flue evaporation (FE) incorporation scenarios, respectively. The implementation of crystal seed technology in the FE-assisted FC-MEDC system significantly decreased the LCOW by 45.4% for chemical pretreatment cost reduction. A further parametric study was performed to examine the influence of key variables on the LCOW. Overall, a comprehensive investigation of FC-MEDC treatment of FGD wastewater was performed, resulting in cost-effective design of a thermal ZLD process with a minimum LCOWof 5.60 $/m(3). Sensitivity analysis was conducted, revealing the influence of market factors on the economic viability of different schemes. In addition, environmental analysis indicates that the greenhouse gas (GHG) emissions from the FGD wastewater ZLD processes ranged from 38.1 to 86.8 kg CO2-eq/m(3) in different scenarios and representative regions, and could be notably reduced by 51.7%. The methodology and results are useful for wastewater ZLD process screening to minimize costs and environmental impacts. (C) 2020 Elsevier Ltd. All rights reserved.

关键词： Flue gas desulphurization wastewater Forced circulation multi-effect distillation Zero liquid discharge Economic analysis GHG emissions

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Rational catalyst structural design to facilitate reversible Li-CO2 batteries with boosted CO2 conversion kinetics

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NANO ENERGY 2023年 117卷

作者： Chen, Shiming Yang, Kai Zhu, Hengyao Wang, Jianan Gong, Yi Li, Huanxin Wang, Manman Zhao, Wenguang Ji, Yuchen Pan, Feng Silva, S. Ravi P. Zhao, Yunlong Yang, Luyi Peking Univ Sch Adv Mat Shenzhen Grad Sch Shenzhen 518055 Peoples R China Univ Surrey Adv Technol Inst Guildford GU2 7XH Surrey England Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Dept Environm Sci & Engn 28 Xianning West Rd Xian 710049 Peoples R China Univ Cambridge Dept Engn 9 JJ Thomson Ave Cambridge CB3 0FA England Imperial Coll London Dyson Sch Design Engn London SW7 2BX England Natl Phys Lab Teddington TW11 0LW Middx England

Lithium-CO2 batteries (LCBs) are regarded as a promising energy system for CO2 drawdown and energy storage capability which has attracted widespread interest in carbon neutrality and sustainable societal development. However, their practical application has been limited by slow kinetics in catalytic reactions and poor reversibility of Li2CO3 products which leads to the issue of a large overpotential, low energy efficiency and poor reversibility. Herein, an efficient catalyst design and synthesis strategy is proposed to overcome the abovementioned bottleneck. Through an electrical joule heating procedure, Pt with random crystal orientations is converted into a 3D porous Pt catalyst with preferred (111) crystal orientation within seconds, exhibiting enhanced CO2 conversion kinetics with superior electrochemical performance. This includes ultralow overpotential (0.45 V), fast rate charging (up to 160 mu A cm-2) and high stability (over 200 cycles under 40 mu A cm-2). A proof-of-concept stacked Li-CO2 pouch cell, with stable operation under practical current density is demonstrated, indicating significant potential for large-scale operations. This bottom-up design of efficient catalysts and synthesis strategy offers a rapid and cost-effective approach to maximizing catalytic sites for CO2 conversion under restricted catalyst loading, showcasing its versatility across a broad spectrum of catalyst-based energy conversion and storage systems.

关键词： Li-CO 2 battery CO 2 conversion Joule heating Electrocatalyst Pouch cell

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Secondary particle size determining sedimentation and adsorption kinetics of titanate-based materials for ammonia nitrogen and methylene blue removal

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JOURNAL OF MOLECULAR LIQUIDS 2021年 343卷 117026-117026页

作者： Zhang, Wenlong Huo, Changjiang Hou, Bo Lin, Changzheng Yan, Xuanye Feng, Jiangtao Yan, Wei Xi An Jiao Tong Univ Sch Energy & Power Engn Dept Environm Sci & Engn State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China Xi An Jiao Tong Univ Sch Energy & Power Engn Dept Fluid Machinery & Engn 28 West Xianning Rd Xian 710049 Peoples R China Cardiff Univ Sch Phys & Astron Cardiff CF24 3AA Wales

The effect of the main size distribution of particles on the adsorption process for adsorbent materials has been well-recognized;however, the impact of secondary particle size (agglomerated, aggregated or hydrated ones) on adsorbent properties and performance was rarely reported so far. In this study, a series of sodium titanates (STs) and peroxide modified sodium titanates (PSTs) with different primary particle sizes, and secondary sizes are synthesized by controlling synthesis conditions and subsequently applied to batch adsorption experiment. By employing scanning electron microscopes and Laser particle size analyzers, the particle sizes of STs and PSTs are found to be closely correlated with synthesis conditions. The surface morphology and specific surface area of titanates are size-dependent, while the components of all the samples maintained constant. The sedimentation experiment and CFD simulation demonstrated that particles with larger secondary sizes tended to settle more quickly than those with a bigger size. PSTs or STs particles with smaller secondary sizes could reach equilibrium more rapidly than those with the bigger size. The fitting results from Elovich and Weber-Morris models demonstrated that the particle sizes affect kinetics mainly through the liquid film diffusion process within the initial stages. (C) 2021 Published by Elsevier B.V.

关键词： Titanate Secondary size Sedimentation Adsorption Water treatment

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Structure evolution and gasification characteristic analysis on co-pyrolysis char from lignocellulosic biomass and two ranks of coal: Effect of wheat straw

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FUEL 2019年 239卷 180-190页

作者： Wu, Zhiqiang Ma, Chen Jiang, Zhao Luo, Zhengyuan Xi An Jiao Tong Univ Sch Chem Engn & Technol Shaanxi Key Lab Energy Chem Proc Intensificat Xian 710049 Shaanxi Peoples R China Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China

Evolution of co-pyrolysis char structure significantly influences its reaction reactivity. To explore the effect of structure on gasification characteristics of char, two ranks of coal, including anthracite coal (AC) and bituminous coal (BC) were introduced to the pyrolysis of wheat straw (WS). Microlithic and pore textures of char were examined by X-ray diffraction and specific surface area analyzer. Based on fractal theory and deconvolution method, quantitatively analysis from the effect of WS on co-pyrolysis char structure was obtained. Kinetic parameters of gasification were solved via the non-isothermal method and thermogravimetric analysis under CO2 atmosphere. The results showed that WS promoted the specific surface area of both BCWS char and ACWS char, but the promotion on the pore structure, including average pore size, was different. WS inhibited the ordering and uniformity of micro-scale structure of BCWS and ACWS char. Positive synergy from kinetic parameters during gasification of co-pyrolysis char was observed. Exponential relationship from microcrystalline structure parameter and gasification reactivity was found.

关键词： Co-pyrolysis char Lignocellulosic biomass Char structure Bituminous coal Anthracite coal Synergistic effect

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