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Deciphering Ligand Controlled Structural Evolution of Prussian Blue Analogues and Their Electrochemical Activation during Alkaline Water Oxidation

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ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 2022年第49期61卷 e202211585页

作者： Singh, Baghendra Mannu, Pandian Huang, Yu-Cheng Prakash, Ravi Shen, Shaohua Dong, Chung-Li Indra, Arindam IIT BHU Dept Chem Varanasi 221005 UP India Tamkang Univ Dept Phys New Taipei Taiwan IIT BHU Sch Mat Sci & Technol Varanasi 221005 UP India Xi An Jiao Tong Univ Int Res Ctr Renewable Energy State Key Lab Multiphase Flow Power Engn Xian 710049 Peoples R China

Herein, we have demonstrated the control over the structure of precatalysts to tune the properties of the active catalysts and their water oxidation activity. The reaction of K-3[Fe(CN)(6)] and Na-2[Fe(CN)(5)(NO)] with Co(OH)(2)@CC produced precatalysts PC-1 and PC-2, respectively, with distinct structural and electronic features. The replacement of the -CN group with strong pi-acceptor -NO modulates the electronic and atomic structure of PC-2. As a result, a facile electrochemical transformation of PC-2 into active catalyst Fe-Co(OH)(2)-Co(O)OH (AC-2) has been attained only in 15 CV cycles while 600 CV cycles are required for the electrochemical activation of PC-1 into AC-1. The X-ray absorption studies reveal the contraction of the Co-O and Fe-O bond in AC-2 because of the presence of a higher amount of Co3+ and Fe3+ than in AC-1. The high valent Co3+ and Fe3+ modulates the electronic properties of AC-2 and assists in the O-O bond formation, leading to the improved water oxidation activity.

关键词： Electrochemical Reconstruction Oxygen Evolution Reaction Prussian Blue Analogue Ultrathin Nanosheets XAS Studies

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Unveiling the hydroxyl-dependent viscosity of water in graphene oxide nanochannels via molecular dynamics simulations

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CHEMICAL PHYSICS LETTERS 2021年 778卷

作者： Sun, Chengzhen Zhou, Runfeng Zhao, Zhixiang Bai, Bofeng Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China Xian Polytech Univ Sch Urban Planning & Municipal Engn Xian 710048 Shaanxi Peoples R China

We present a molecular dynamics study on the viscosity of water confined in graphene oxide (GO) nanochannels, with a major consideration of its dependence on the density of hydroxyl groups on GO sheets. The results show that the anisotropic water viscosity exhibits a nonmonotonic variation with the density of hydroxyl groups, owing to the coupling interactions between water molecules and GO sheets and their relating momentum dissipation among water molecules within water layers, viscous friction among water layers. The calculated viscosity is consistent with the experimentally and numerically reported water viscosity in literature and the Eyring's absolute action theory.

关键词： Nanoconfined water Viscosity Graphene oxide Hydroxyl groups Molecular dynamics

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Thermodynamics and LCA analysis of biomass supercritical water gasification system using external recycle of liquid residual

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RENEWABLE ENERGY 2019年 141卷 1117-1126页

作者： Wang, Cui Jin, Hui Peng, Pai Chen, Jia Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn 28 Xianning West Rd Xian 710049 Shaanxi Peoples R China

Biomass supercritical water gasification is clean and renewable, which can convert biomass into hydrogen rich gas. Previous studies indicated that external recycle of liquid residual could improve gas yield and gasification efficiency. However, the influence mechanism of external recycle on energy and exergy efficiency is complicated and theoretical model for system optimization is insufficient. Thermodynamic model of external recycle of liquid residual was built in this paper. Exergy efficiency of the main components and exergy loss distribution were specified and the result showed that exergy loss of reactor and preheater accounted for 26.06% and 35.88% of the total exergy loss, which were the main exergy loss sources. Effective ways to reduce exergy loss of components with large exergy loss and to improve energy and exergy efficiency of the system were proposed. Moreover, life cycle assessment of biomass gasification process was carried out. The results indicated that the increase of gasification temperature, pressure and external recycle flow rate of liquid residual and decrease of biomass concentration could improve energy and exergy efficiency of the system. Energy and exergy efficiency reached 63.67% and 48.29% respectively at the condition of gasification temperature of 560 degrees C, pressure of 25 MPa, recycle flow ratio of 32.43%, biomass concentration of 2.78%. Besides, the increase of gasification temperature and decrease of biomass slurry concentration and pressure could decrease GWP. (C) 2019 Elsevier Ltd. All rights reserved.

关键词： Supercritical water gasification External recycle system Thermodynamics analysis LCA

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Evaluation of CO2 absorption performance by molecular dynamic simulation for mixed secondary and tertiary amines

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INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL 2020年 97卷

作者： Sharif, Maimoona Zhang, Tingting Wu, Xiaomei Yu, Yunsong Zhang, Zaoxiao Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Sch Chem Engn & Technol 28 Xianning West Rd Xian 710049 Shaanxi Peoples R China Shaanxi Univ Sci & Technol Coll Mech & Elect Engn Xian Weiyang Univ Pk Xian Shaanxi Peoples R China

CO2 emission to the atmosphere is the most prominent cause of climate change and a major risk to environmental health. Although several techniques are very promising to reduce the CO2 emission from central emission points, the CO2 absorption by amines remains the most mature and reliable technology. Yet, there is more potential to improve absorption performance by choosing suitable solvents. Thus, the present research is intended to explore a better solvent combination for CO2 absorption by adopting the amine absorption process using molecular dynamic simulation. The study is designed to compare the intermolecular interactions of N-C and N-H bond between single 2EAE, DMAE (or 2DMAE), and blended solvent, i.e., 2EAE/PZ, 2DMAE/PZ with carbon dioxide and water and then to catch the effect of piperazine on these amines. The molecular dynamic simulations were performed by using the Material Studio application. The solvent concentration, 30 wt% under the condition of 313 K temperature at 0.1 MPa pressure, was taken for solvent systems. The results were interpreted by the Radial Distribution Function analysis. It was found that the blend of secondary and tertiary amines with piperazine 2EAE/PZ, DMAE/PZ reflect higher intermolecular interaction with CO2 as compared to single DMAE & 2EAE. This finding shows that piperazine acts as a promoter on 2EAE and 2DMAE when interacting with CO2.

关键词： CO2 absorption Molecular dynamic simulation RDF analysis Secondary & tertiary amine

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Editorial: Nanoconfined Fluids in Energy Applications

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FRONTIERS IN ENERGY RESEARCH 2022年 10卷

作者： Sun, Chengzhen Neek-Amal, Mehdi Wang, Gerald J. Zhao, Zhixiang Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian Peoples R China Shahid Rajaee Teacher Training Univ Dept Phys Tehran Iran Carnegie Mellon Univ Dept Civil & Environm Engn Pittsburgh PA USA Xian Polytech Univ Sch Urban Planning & Municipal Engn Xian Peoples R China

experimental design, to simulation methodology, to approaches for uncertainty quantification for material and transport properties of fluids under nanoconfinement [10]. Such work is critical for advancing fundamental physics and chemistry; from an engineering perspective, this work can also promote the development of novel energy-related technologies, with applications ranging from energy storage (e.g., supercapacitors [11,12]), to energy harvesting (e.g., solar evaporation [13,14] or electricity generation via reverse electrodialysis [15,16]), to enhanced oil and gas recovery [17], to membrane-based separation processes [18]. A schematic illustration of energy applications of NCFs is presented in Figure 1. In this Research Topic, we aim to present frontier research in experimental, computational, and theoretical approaches to thermodynamics; mass, momentum, and energy transport; flow physics; and phase behavior of NCFs, especially in energy-related applications. It also aims to discuss and identify research challenges in the field, worthy of the community's broader attention. Main topics of interest in this Research Topic include 1) Reviews on recent developments in the field of NCFs; 2) Novel experimental and theoretical investigations of NCFs; 3) Novel computational studies of NCFs; and 4) NCFs in energy-related applications. The bilayer pore in their work exhibits 3.7 times higher selectivity of CO 2 /CH 4 as compared to the single-layer graphene nanopore of the same *** summary, this Research Topic highlights the promising prospects of nanoconfined fluids in energy applications, showcases several areas of exciting current research, and also highlights several open questions in this field. We sincerely hope that more researchers will invest effort in the study of nanoconfined fluids, from basic theory to application, and especially in the context of energy applications.

关键词： nanoconfined fluids energy basic theory engineering application research methodology

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Recent progress of energy harvesting and conversion coupled with atmospheric water gathering

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ENERGY CONVERSION AND MANAGEMENT 2021年 246卷

作者： Chen, Zhihui Shi, Jinwen Li, Yueqi Ma, Benchi Yan, Xueli Liu, Maochang Jin, Hui Li, Dong Jing, Dengwei Guo, Liejin Xi An Jiao Tong Univ Sch Energy & Power Engn Xian 710049 Shaanxi Peoples R China Xi An Jiao Tong Univ Int Res Ctr Renewable Energy State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China

With the advantages of environmental protection, energy saving and sustainability, the technology of energy harvesting and conversion coupled with atmospheric water gathering has gradually attracted the attention of researchers under the threat of global water and energy issues. This review paper briefly described the basic working principles of energy harvesting and conversion coupled with atmospheric water gathering technology at first and then comprehensively summarized the representative materials and corresponding devices recently developed for the generation of different kinds of energies (such as electricity and chemical energy, especially hydrogen energy) by energy harvesting and conversion coupled with atmospheric water gathering technology. Electricial energy was generated based on four effects (thermoelectric, electrokinetic, triboelectric and hydrovoltaic effects) and two processes (electrochemical and photoelectric chemical processes), while hydrogen was produced based on photoelectrochemistry, photocatalysis and photovoltaic electrolysis. Based on the above analysis, it was found that the great progress, including new mechanisms and new technical paths, has been achieved on energy harvesting and conversion coupled with atmospheric water gathering technology in the last few years, but there are still many challenges to overcome and directions to explore for further development. At last, this review paper discussed some potential strategies for promoting the output efficiency and performance of energy harvesting and conversion devices. Optimizing the materials and components used in energy harvesting and conversion devices and adding energy storage modules to achieve all-weather energy supply will push this technology into a wider range of applications and better solve the global water and energy crises.

关键词： Atmosphere water gathering Energy harvesting Energy conversion Electricity Hydrogen

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Numerical study on mechanism of condensation oscillation of unstable steam jet

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CHEMICAL engineering SCIENCE 2020年 211卷

作者： Song, Shilin Yue, Xiaoyu Zhao, Quanbin Chong, Daotong Chen, Weixiong Yan, Junjie Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China

Submerged steam jet condensation is widely used in many industries. However, this process may cause damage to equipment due to pressure oscillation, especially at low steam mass flux. The dynamic process of steam bubble and different pressure oscillation types were investigated in this numerical study. Five typical stages were observed, which were bubble growth stage, bubble slow necking stage, bubble rapid necking stage, bubble detachment stage and secondary bubble oscillation stage. Two pressure oscillation types were found by the synchronization analysis of bubble pattern and pressure field. The mechanisms of condensation oscillation of unstable steam jet were revealed. As for the first type, two pressure peaks existed in the fluctuation process of secondary bubble volume. The higher pressure peak was generated when secondary bubble was oscillated to its minimum volume, and the other was generated when secondary bubble was collapsed. As for the second type, only one pressure peak existed and secondary bubble was quickly contracted without volume fluctuation. Pressure peak was generated when secondary bubble was quickly contracted to its minimum volume. Moreover, analyses of flow field pressure at different locations were carried out. Results indicated that the pressure fluctuation was mainly induced by the condensation oscillation of secondary bubble for both types. The trends of pressure at different locations were the same as that of secondary bubble internal pressure. (C) 2019 Elsevier Ltd. All rights reserved.

关键词： Numerical simulation Steam bubble condensation Pressure oscillation Oscillation mechanism

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Thermal error controlling for the spindle in a precision boring machine with external cooling across coated joints

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PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART C-JOURNAL OF MECHANICAL engineering SCIENCE 2020年第2期234卷 658-675页

作者： Lei, Mohan Jiang, Gedong Zhao, Liang Wang, Jinshi Li, Ben Q. Xia, Ping Yang, Jun Mei, Xuesong Xi An Jiao Tong Univ State Key Lab Mfg Syst Engn Xian Shaanxi Peoples R China Huazhong Univ Sci & Technol State Key Lab Digital Mfg Equipment & Technol Wuhan Hubei Peoples R China Xi An Jiao Tong Univ Shaanxi Key Lab Intelligent Robots Xian Shaanxi Peoples R China Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian Shaanxi Peoples R China Univ Michigan Dept Mech Engn Coll Engn & Comp Sci Ann Arbor MI 48109 USA

Spindles in precision boring machines usually operate without internal cooling, and thermal error in such spindles is nonnegligible and can severely affect the end-processing quality of the machines. This study aims to investigate the effects that external cooling exerts on the thermal behavior of such spindles. A helical tube cooler is taken for external cooling. An analytical thermal resistance model for the grease-coated cooler-housing joint surface, which considers the pressured cambered-flat contact pair and rough metal surface-grease contact, is presented and validated, and a numerical thermal-fluid-solid coupling model for the cooler-spindle system is then established. An evaluation method is put forward to obtain the stability of the thermal error, which determines the boring processing accuracy and thermal equilibrium time, from experimental data. Then, the external cooling was optimally designed based on the simulation results from the numerical model. Experiments show that the designed cooler reduced the thermal equilibrium time by 47.13% and the maximum thermal error by 81.7%, and the proposed model can accurately predict the cooling effect on the spindle thermal behavior. This study not only provides a thermal error control method for the spindle but is expected to advance the theoretical basis of cooling design for complex electromechanical systems.

关键词： Precision boring machine helical tube thermal error stabilization thermal equilibrium grease-coated joint

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Clinical efficacy of plasma exchange in systemic lupus erythematosus during pregnancy

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IMMUNITY INFLAMMATION AND DISEASE 2023年第10期11卷 e1041页

作者： Zhang, Fen Zhang, Bing-Ying Fan, Ru Cheng, Ting Hu, Xiao-Rong Liu, Yu-Qing Cen, Xing Bu, Yu-Jie Cao, Jian-Ping Chen, Feng-Wu Chen, Jun-Wei Shanxi Med Univ Dept Rheumatol Hosp 2 Taiyuan Shanxi Peoples R China Xinzhou Peoples Hosp Dept Rehabil Xinzhou 034000 Shanxi Peoples R China Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Shanxi Peoples R China Shanxi Med Univ Dept Rheumatol Hosp 2 Taiyuan 030001 Shanxi Peoples R China

ObjectiveTo investigate the clinical efficacy of plasma exchange (PE) with or without prednisone and hydroxychloroquine (HCQ) for the treatment of systemic lupus erythematosus (SLE) during *** clinical characteristics of 14 pregnant women with SLE admitted to our hospital were retrospectively analyzed, including 7 only treated with prednisone and HCQ (non-PE group) as well as 7 combined PE (PE group). The delivery situations of 14 patients were recorded. Data like erythrocyte sedimentation rate (ESR), urine protein, platelet count, and SLEDAI scores were compared between two groups before treatment and 3, 6, and 12 months after *** patients in the non-PE group ended in miscarriage while all patients in the PE group were delivered successfully. Eleven successfully delivered fetuses in the two groups were healthy, and the Apgar scores were over 8. The ESR of the PE group was significantly lower than that of the non-PE group at 6 and 12 months after delivery, while there was no statistical difference in ESR between the two groups before treatment and 3 months after delivery. The ESR and urine protein were significantly higher in the non-PE group at months 3, 6, and 12 postpartum. There was a significant decrease in disease activity postpartum in the PE group compared to predelivery disease activity. The change in platelet counts between the two groups significantly increased over time in the PE group, while SLEDAI scores *** combination of PE and oral prednisone and HCQ is possibly a more effective treatment than oral prednisone and HCQ alone for patients with active SLE during pregnancy. This treatment option reduces pregnancy loss and promotes the patients' postpartum condition to a certain extent. In this study, we recruit 14 SLE patients to analyze the clinical efficacy of prednisone and HCQ alone or in combination with PE for the treatment of SLE during pregnancy. The data showed that PE in the combination of

关键词： efficacy plasmapheresis pregnancy systemic lupus erythematosus

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Influence of special water properties variation on the heat transfer of supercritical water flow around a sphere

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CHEMICAL engineering SCIENCE 2020年 222卷

作者： Wu, Zhenqun Ren, Yifei Ou, Guobiao Jin, Hui Xi An Jiao Tong Univ State Key Lab Multiphase Flow Power Engn Xian 710049 Shaanxi Peoples R China

Supercritical water gasification (SCWG) technology shows a promising future due to its high efficiency and low emissions. Influenced by special water properties variation near the pseudocritical point, well-established heat transfer correlations are ill-suited for SCWG reactor design. To solve the problems caused by heat transfer, particle-resolved simulations were conducted to study the heat transfer characteristics of supercritical water (SCW) flow around a spherical particle, which served as a basic reacting unit. Through varying the temperature difference between the inflow and particle surface, heat transfer characteristics with different water properties variation tendencies were studied. Detailed analyses of the velocity and temperature boundary layers, and flow field around the particle were also presented to gain greater understanding. Furthermore, heat transfer characteristics under different pressures were studied. Based on the simulated results, a new correlation applicable for SCW flow around a sphere for the Reynolds number range 10–200 was obtained.

关键词： Supercritical water Special properties variation Sphere Heat transfer

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