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Process simulation, optimization and assessment of post-combustion carbon dioxide capture with piperazine-activated blended absorbents

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JOURNAL OF CLEANER PRODUCTION 2021年 282卷 124502-124502页

作者： Zhao, Bingtao Fang, Tongbo Qian, Weifeng Liu, Jinpeng Su, Yaxin Univ Shanghai Sci & Technol Sch Energy & Power Engn 516 Jungong Rd Shanghai 200093 Peoples R China Univ Shanghai Sci & Technol Shanghai Key Lab Multiphase Flow & Heat Transfer 516 Jungong Rd Shanghai 200093 Peoples R China Chongqing Univ Key Lab Low Grade Energy Utilizat Technol & Syst Minist Educ China Chongqing 400044 Peoples R China Donghua Univ Sch Environm Sci & Engn 2999 North Renmin Rd Shanghai 201620 Peoples R China

High efficiency, large capacity, and low energy consumption have become an important challenge in performances of post-combustion carbon dioxide (CO2) capture and regeneration. Blended absorbents have shown great potential but their process simulation, modeling, and optimization have not been known definitively. This work developed the blended aqueous absorbents based on piperazine (PZ) activators: PZ-activated methyldiethanolamine (MDEA), potassium carbonate solution (K2CO3), and aqueous ammonia (NH3 center dot H2O) to improve their techno-economic performances. The whole process simulation was conducted using a validated rate-based model under given a CO2 capture efficiency of 85%. In this process, the key factors including the molar concentration of the absorbent, PZ molar ratio, CO2 load of lean liquid, lean-liquid temperature, flue-gas temperature, and rich-liquid temperature, were employed for the design of experiment using response surface methodology. A series of nonlinear regression equations were developed using the flow rate of absorbents, the reboiler heat duty (in the units of gigajoules per ton of CO2), and the cooling-water flow rate as the multi-objective function. Subsequently, the optimal Pareto solution set and compromise solutions were determined using the multi-objective genetic algorithm and finally, their performances were assessed using the fuzzy close-degree algorithm. It was found that the optimal operating parameters can be determined effectively according to the proposed approach. For each PZ-activated blended absorbents, the trade-off effect exists between absorbent flow rate, reboiler heat duty, and cooling water consumption. The absorbents having optimal techno-economic performance were recommended to be PZ-activated MDEA, followed by PZ-activated K2CO3 and PZ-activated NH3 center dot H2O when considering the regeneration energy consumption. The results may provide a positive reference for process design and optimization of the industr

关键词： Post-combustion CO2 capture Piperazine-activated blended absorbents Process simulation Multi-objective optimization

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Microscopic mechanism of alternating oscillations in a microchannel pulse tube based on molecular dynamics

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JOURNAL OF MOLECULAR LIQUIDS 2020年 313卷 113486-113486页

作者： Che, Yanjin Qi, Yingxia Pan, Shuai Niu, Shizhe Zhang, Hua Univ Shanghai Sci & Technol Grad Sch Energy & Power Engn 516 Jungong Rd Shanghai 200093 Peoples R China Univ Shanghai Sci & Technol Dept Energy & Power Engn Key Lab Multiphase Flow & Heat Transfer Shanghai 516 Jungong Rd Shanghai 200093 Peoples R China

The non-equilibrium molecular dynamic simulation method was used to analyze the microscopic dynamics process of alternating helium oscillations in a micro-channel pulse tube (MPT). The driving force was provided by a sinusoidal speed piston. A reflect wall was adopted as the power source similar to high-frequency liner compressors. The MPTs instantaneous temperature, pressure. speed mass flow, and time-averaged temperature were statistically analysed. At the micro level. the curve of the MPTs instantaneous properties approximated sinusoidal function. There was an alternating oscillation process with asymmetric property distributions between the MPTs compression and expansion process and the space-time distribution of each parameter's properties were non-uniform. The expansion process had a larger axial pressure gradient than the compression process. The analytical results showed that when the forced oscillation time caused by the piston motion was shorter than the natural oscillation time, the acoustic wave's energy flow density was higher. The cycle's time had little effect on the temperature of the cold end under low charge pressure. When the inflation pressure was higher than 20 bar, the temperature at the cold end was more sensitive to the time. As the time decreased, the temperature at the cold end further decreased and the time-averaged temperature at the cold end increased as the charge pressure increased. The negative effect mainly came from the temperature disturbance during the expansion process. The pressure ratio increased as the time decreased and was not significantly affected by the charge pressure, but it could generate a larger temperature gradient in the MPTs axial direction. In summary, the use of different forms of heat exchangers and phase shifters at the warm end could release or recover extra acoustic power. MPTs with fixed operating modes and dimension parameters should have optimal frequency to obtain the lowest no-load temperature at the co

关键词： Alternating oscillation Micro-channel pulse tube Molecular dynamics Pressure distribution Temperature gradient

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An experimental investigation on frosting characteristics of a microchannel outdoor heat exchanger in an air conditioning heat pump system for electric vehicles

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INTERNATIONAL JOURNAL OF ENERGY RESEARCH 2020年第9期44卷 7807-7819页

作者： Li Kang Luo Shuxian Yu Jun Tang Qitian Su Lin Fang Yidong Univ Shanghai Sci & Technol Sch Energy & Power Engn Shanghai 200093 Peoples R China Univ Shanghai Sci & Technol Key Lab Multiphase Flow & Heat Transfer Shanghai Shanghai Peoples R China SAIC Motor Commercial Vehicle Tech Ctr Shanghai Peoples R China

To increase the driving range of electric vehicles in cold climate, air conditioning heat pump (ACHP) system is supposed to be the most effective solution. Working near 0 degrees C with high humidity, the microchannel outdoor heat exchanger (OHX) in system would experience badly frosting process, like traditional residential heat pump system. It would lead to a significant reduction of system performance without defrosting in time. In this article, experimental investigation has been implemented on the frosting process of ACHP system of electric vehicles which is with a microchannel OHX. The phenomenon of frosting distribution was observed, the frosted part on surface shows uneven with various flows paths. The typical frosting characteristics of an outdoor microchannel heat exchanger were also obtained. In a self-designed three-heat exchanger ACHP system, the inlet and outlet refrigerant temperature of OHX as well as the outlet air temperature of system decrease with increasing frosting coverage rate. The frosting phenomenon was analyzed with variation of ambient temperature and humidity. System influence by frosting was also studied with under different ambient conditions. When OHX begins to frost, the heating capacity reduction of system under different ambient conditions were both increased but the differences in the coefficient of performance (COP) variations under different ambient conditions were small as frosting progressed.

关键词： electric vehicles frosting characteristics microchannel heat exchanger system performance

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Experimental Study on the PVTx Properties of the R1234ze(E)/R152a System by the Burnett Method

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JOURNAL OF CHEMICAL AND engineering DATA 2020年第9期65卷 4194-4200页

作者： Qi, Yingxia Zhang, Fan Nie, Yicheng Yang, Haifeng Zhang, Hua Wu, Weidong Univ Shanghai Sci & Technol Key Lab Multiphase Flow & Heat Transfer Shanghai Shanghai 200093 Peoples R China Univ Shanghai Sci & Technol Grad Sch Energy & Power Engn Shanghai 200093 Peoples R China Univ Shanghai Sci & Technol Fac Energy & Power Engn Shanghai 200093 Peoples R China

The gaseous PVTx properties of trans-1,3,3,3-tetrafluoropropene (R1234ze(E)) + 1,1-difluoroethane (R152a) mixtures are measured at temperatures from 285.15 to 310.15 K in 5 K intervals, pressures of up to 0.8 MPa, and compositions of R1234ze(E) from 0.35 to 0.55 mass fraction using the Burnett isothermal expansion method. The uncertainties in the experimental device are estimated to be within +/-10 mK for temperature, +/-4.0 kPa for pressure, and +/-0.3% for mass fraction. The densities and compressibility factors for each mixture are obtained, and the second and third virial coefficients of the gas virial EOS are fitted on the basis of experimental PVTx data. The relative errors between the calculated pressure from the fitted gas virial EOS and the experimental data of this study are within +/-0.6%.

关键词： Atmospheric chemistry Sensors Mixtures Vapor pressure Compressibility

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Experimental study of propane heat pump system with secondary loop and vapor injection for electric vehicle application in cold climate

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APPLIED THERMAL engineering 2022年 217卷

作者： Wang, Haimin Ji, Zhiyuan Wang, Chuanwei Zhu, Zexu Wang, Yifan Lin, Hao Univ Shanghai Sci & Technol Sch Energy & Power Engn Shanghai 200093 Peoples R China Shanghai Key Lab Multiphase Flow & Heat Transfer P Shanghai 200093 Peoples R China Dongfeng Commercial Vehicle Co Ltd Dongfeng Commercial Vehicle Tech Ctr Wuhan 430056 Peoples R China

In order to solve the problem that the driving range of electric vehicles (EVs) is reduced due to heating in cold climate, and the traditional R134a needs to be replaced by more environmentally-friendly refrigerants, a novel solution of coupling the secondary loop and vapor injection technology (SL + VPI) was proposed. Although propane has high flammability, it is still considered a promising alternative because of its low global warming potential (GWP), high performance, and less charge mass. The impacts of VPI technology, ambient temperature, waste heat recovery power, compressor speed, indoor inlet air flow rate, and charge mass on the heat pump system performance have been experimentally studied. In addition, the heating performance and driving range improvement of different heat pump systems were compared. The results show that at-20 C ambient tem-perature, the propane SL + VPI system was second only to CO2 direct heat pump system;its heating performance was 33.3-37.4 % greater than the propane direct heat pump.

关键词： Electric vehicle Propane heat pump Vapor injection Secondary loop

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Corrigendum to ‘Experimental investigation of the microlayer and dry spot dynamic characteristics in a small channel flow boiling by laser interferometry method’ [International Journal of heat and Mass transfer 201 (2023) 123585]

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International Journal of heat and Mass transfer 2023年 209卷

作者： Zhong-Xiang Shen Ming Gao Wu-han Dong Li-xin Zhang Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power Engineering School of Energy and Power Engineering University of Shanghai for Science and Technology Shanghai 200093 China

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Understanding CO Heterogeneous Adsorption on the Reduced CaSO4 (010) Surface for Chemical-Looping Combustion: A First-Principles Study

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INDUSTRIAL & engineering CHEMISTRY RESEARCH 2020年第45期59卷 20022-20032页

作者： Hou, Fengxiao Jin, Jing Liu, Dunyu Kou, Xuesen Yang, Haoran Wang, Yongzhen Univ Shanghai Sci & Technol Sch Energy & Power Engn Shanghai 200093 Peoples R China Shanghai Key Lab Multiphase Flow & Heat Transfer Shanghai 200093 Peoples R China Linyi Univ Sch Civil Engn & Architecture Linyi 276000 Shandong Peoples R China

Chemical-looping combustion (CLC) is one of the ways to achieve carbon capture. As an oxygen carrier (OC), CaSO4 is a potential candidate due to high oxygen capacity and low price. However, it is limited in terms of low reactivity. Although the reduction reaction process mechanism of CaSO4 OC has been calculated, the heterogeneous adsorption was not considered. To further investigate the mechanism of its low reactivity, the heterogeneous adsorption of CO on the CaSO4 surface and its reduced surfaces was calculated by a first-principles study, and the wave functions of the stable configurations were analyzed. The results show that the adsorption of CO on these surfaces is physical adsorption and the weak interaction is the main contribution. Moreover, the adsorption energies of the chi(OL) = 100-25% stage are -32.82, -32.13, -40.45, -44.25, and -6.80 kJ/mol. According to energy decomposition, the electrostatic interaction is the principal interaction for the attraction at the chi(OL) = 100-50% stage, and the electrostatic interaction and London dispersion interaction both contribute to the attraction at the chi(OL) = 25% stage. However, electrons transferring between CO and the surface are lower than 0.1e. Furthermore, the atoms-in-molecules (AIM) and independent gradient model (IGM) analyses indicate that the interaction of CO and the chi(OL) = 25% surface is very weak. At the chi(OL) = 100-50% stage, the interaction of CO and the surface is the pure closed-shell interaction, and C-Ca interaction contributes the most to the weak interaction. To improve the reactivity of a CaSO4 oxygen carrier, further research works could follow the direction of increasing the electron transferability to improve the adsorption ability, such as exposing more active surfaces.

关键词： Fundamental interactions Adsorption Molecules Interaction energies Oxygen

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Mercury removal by Co3O4@TiO2@Fe2O3 magnetic core-shell oxygen carrier in chemical-looping combustion

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FUEL 2021年 306卷 121604-121604页

作者： Xu, Kailong Liu, Dunyu Feng, Liang Jin, Jing Xiong, Zhibo Ni, Mingguo Liu, Zhuang Liu, Qiuqi Hou, Fengxiao Univ Shanghai Sci & Technol Sch Energy & Power Engn Shanghai Peoples R China Univ Shanghai Sci & Technol Shanghai Key Lab Multiphase Flow & Heat Transfer Shanghai Peoples R China

Mercury pollution has received much attention due to its severe harm to human and ecological system. The major source of mercury emission is from coal combustion. In the flue gas, elemental mercury (Hg-0) is the most abundant and difficult form to be removed. In the chemical-looping combustion of coal (CLCC), oxygen carrier (OC) plays the role of oxygen storage and release, and it also has catalytic ability for Hg-0 removal. In this study, a magnetic material Co3O4@TiO2@Fe2O3 (CTF) with a core-shell structure was prepared by combining sol-gel and impregnation methods. The Co: Ti: Fe ratio was obtained as 1:2:4, which was optimized to achieve strong magnetism and catalytic ability. The Hg-0 removal efficiency increased with the increase in temperature in the temperature range of 800-900 degrees C. The mercury removal efficiency of Hg-0 + CTF + HCl was higher than that of Hg-0 + HCl, indicating that CTF promoted the conversion of Hg-0 to Hg2+/HgP. Both homogeneous and heterogeneous reaction pathways are important for Hg-0 removal. CTF promotes the oxidation of Hg-0 in HCl atmosphere by reacting with HCl to produce more Cl-2, which is more reactive towards Hg-0. Furthermore, Hg-0 is adsorbed on CTF to form adsorbed Hg-0 and HgO. Mercury on CTF is mainly desorbed in the form of HgO, which is beneficial for mercury removal. Ten redox cycles were applied on CTF, which still maintained a high Hg-0 removal efficiency and strong magnetism. CTF can be used as a recycled OC in CLCC.

关键词： Oxygen carrier Core-shell structure Mercury removal

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Photoactive decontamination and reuse of face masks

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e-Prime - Advances in Electrical engineering, Electronics and Energy 2023年 4卷

作者： You, Dingzhang Liu, Qingyuan Wang, Lin Wang, Kaiying Liu, Guohua Beijing Key Laboratory of Multiphase Flow and Heat Transfer for Low Grade Energy Utilization North China Electric Power University Beijing 102206 China Department of Microsystems University of South-Eastern Norway Horten 3184 Norway

The corona virus disease 2019 (COVID-19) pandemic has led to global shortages in disposable respirators. Increasing the recycling rate of masks is a direct, low-cost strategy to mitigate COVID-19 transmission. Photoactive decontamination of used masks attracts great attention due to its fast response, remarkable virus inactivation effect and full protection integrity. Here, we review state-of-the-art situation of photoactive decontamination. The basic mechanism of photoactive decontamination is firstly discussed in terms of ultraviolet, photothermal or photocatalytic properties. Among which, ultraviolet radiation damages DNA and RNA to inactivate viruses and microorganisms, and photothermal method damages them by destroying proteins, while photocatalysis kills them by destroying the structure. The practical applications of photoactive decontamination strategies are then fully reviewed, including ultraviolet germicidal irradiation, and unconventional masks made of functional nanomaterials with photothermal or photocatalytic properties. Their performance requirements are elaborated together with the advantages of long-term recycle use. Finally, we put forward challenges and prospects for further development of photoactive decontamination technology. © 2023 The Author(s)

关键词： COVID-19 Decontamination Face masks Photocatalysis Photothermal

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Understanding the Interaction Mechanism of Char and CaSO4 Oxygen Carrier in Chemical Looping Combustion: Semi-empirical Tight-Binding Method Calculation and Grand Canonical Monte Carlo Simulation

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ENERGY & FUELS 2020年第7期34卷 8600-8607页

作者： Hou, Fengxiao Jin, Jing Liu, Dunyu Yang, Haoran Kou, Xuesen Wang, Yongzhen Univ Shanghai Sci & Technol Sch Energy & Power Engn Shanghai 200093 Peoples R China Shanghai Key Lab Multiphase Flow & Heat Transfer Shanghai 200093 Peoples R China Linyi Univ Sch Civil Engn & Architecture Linyi 276000 Shandong Peoples R China

Controlling carbon emissions is an effective way to mitigate the greenhouse effect. According to the primary energy consumption of China, chemical looping combustion (CLC) using coal as the fuel has great development prospects. In the solid-fuel CLC process, the interaction of char and oxygen carrier cannot be ignored. The CaSO4 oxygen carrier is cheap and oxygen-rich. Thus, the interaction of char and CaSO4 was investigated in this paper to reveal the reason for the low reaction rate for the char- CaSO4 reaction from the perspective of the binding process. It could offer the guide for improving the binding ability of the CaSO4 oxygen carrier. The binding process of the char model composed of five benzene rings and the CaSO4 cluster was calculated by the semi-empirical tight-binding quantum chemistry method, and the influence of the temperature and pressure was simulated by the grand canonical Monte Carlo (GCMC) method. The interaction of char and CaSO4 is the exothermic reaction, and the dispersion contributes the most energy to attractive interaction. The binding system is the typical weak interaction system. From the property analysis, the H1-H2-O ring causes the system to stay stable, and there are hydrogen bonds that appear in the interaction area between the two fragments. The results of the independent gradient model verify the position of the hydrogen bond interaction, and the atom contributions of char and CaSO4 to the interaction are 0.1564-0.5958 and 0.2347-0.4854, respectively. The results of the electron density difference demonstrate that most atoms in the interaction area (z = 5.5-9.5 angstrom) get electrons to cause the positive electrostatic energy. According to the GCMC simulation, the binding process changes from type 2 binding to type 3 binding with the temperature increasing and the binding energy decreases. Meanwhile, the fitted energy curves change from the polynomial function to the exponentiation. To improve the interaction ability of the tw

关键词： Energy Noncovalent interactions Electron density Binding energy Chemical looping combustion

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