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Prediction of ionic liquid toxicity by interpretable machine learning
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作者 Haijun Feng Li Jiajia Zhou Jian 《Chinese Journal of Chemical Engineering》 2025年第8期201-210,共10页
The potential toxicity of ionic liquids(ILs)affects their applications;how to control the toxicity is one of the key issues in their applications.To understand its toxicity structure relationship and promote its green... The potential toxicity of ionic liquids(ILs)affects their applications;how to control the toxicity is one of the key issues in their applications.To understand its toxicity structure relationship and promote its greener application,six different machine learning algorithms,including Bagging,Adaptive Boosting(AdaBoost),Gradient Boosting(GBoost),Stacking,Voting and Categorical Boosting(CatBoost),are established to model the toxicity of ILs on four distinct datasets including Leukemia rat cell line IPC-81(IPC-81),Acetylcholinesterase(AChE),Escherichia coli(E.coli)and Vibrio fischeri.Molecular descriptors obtained from the simplified molecular input line entry system(SMILES)are used to characterize ILs.All models are assessed by the mean square error(MSE),root mean square error(RMSE),mean absolute error(MAE)and correlation coefficient(R^(2)).Additionally,an interpretation model based on SHapley Additive exPlanations(SHAP)is built to determine the positive and negative effects of each molecular feature on toxicity.With additional parameters and complexity,the Catboost model outperforms the other models,making it a more reliable model for ILs'toxicity prediction.The results of the model's interpretation indicate that the most significant positive features,SMR_VSA5,PEOE_VSA8,Kappa2,PEOE_VSA6,SMR_VSA5,PEOE_VSA6 and EState_VSA1,can increase the toxicity of ILs as their levels rise,while the most significant negative features,VSA_EState7,EState_VSA8,PEOE_VSA9 and FpDensityMorgan1,can decrease the toxicity as their levels rise.Also,an IL's toxicity will grow as its average molecular weight and number of pyridine rings increase,whereas its toxicity will decrease as its hydrogen bond acceptors increase.This finding offers a theoretical foundation for rapid screening and synthesis of environmentally-benign ILs. 展开更多
关键词 Ionic liquids TOXICITY machine learning Model PREDICTION INTERPRETATION
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Intelligent prediction of ionic liquids and deep eutectic solvents by machine learning
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作者 Yuan Tian Honghua Zhang +3 位作者 Yueyang Qiao Han Yang Yanrong Liu Xiaoyan Ji 《Chinese Journal of Chemical Engineering》 2025年第8期227-243,共17页
Ionic liquids (ILs) and deep eutectic solvents (DESs) as green solvents have attracted dramatic attention recently due to their highly tunable properties. However, traditional experimental screening methods are ineffi... Ionic liquids (ILs) and deep eutectic solvents (DESs) as green solvents have attracted dramatic attention recently due to their highly tunable properties. However, traditional experimental screening methods are inefficient and resource-intensive. The article provides a comprehensive overview of various ML algorithms, including artificial neural network (ANN), support vector machine (SVM), random forest (RF), and gradient boosting trees (GBT), etc., which have demonstrated exceptional performance in handling complex and high-dimensional data. Furthermore, the integration of ML with quantum chemical calculations and conductor-like screening model-real solvent (COSMO-RS) has significantly enhanced predictive accuracy, enabling the rapid screening and design of novel solvents. Besides, recent ML applications in the prediction and design of ILs and DESs focused on solubility, melting point, electrical conductivity, and other physicochemical properties become more and more. This paper emphasizes the potential of ML in solvent design, overviewing an efficient approach to accelerate the development of sustainable and high-performance materials, providing guidance for their widespread application in a variety of industrial processes. 展开更多
关键词 Intelligent prediction lonic liquids Deep eutectic solvents machine learning
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RESEARCH ON MODELING AND CHARACTERISTICS OF THE SPINDLE DYNAMIC COUPLING ABSORBERING SYSTEM OF A SUPER-PRECISION SURFACE GRINDING MACHINE 被引量:2
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作者 YangZhiyong ZhangDawei +1 位作者 HuangTian GaoYongsheng 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2003年第2期213-216,共4页
The bearing is described by constrain matrix, and the spindle system of a NCsurface grinding machine is simplified as elastic-coupling beam, then modal synthesis method is usedto establish the dynamic model of beam. M... The bearing is described by constrain matrix, and the spindle system of a NCsurface grinding machine is simplified as elastic-coupling beam, then modal synthesis method is usedto establish the dynamic model of beam. Moreover, the response of the end of rotor is analyzed, andthe natural frequency, principle mode and other dynamic characteristics of the coupling system arestudied, the law of bearing stiffness to coupling frequency and amplitude of rotor is also found.Finally, according to the actual condition, a dynamic absorber is designed. The simulation andexperimental results show that the amplitude of spindle can be declined effectively when the dynamicabsorber is attached. 展开更多
关键词 surface grinding machine coupling system principal mode rotor bearingsystem
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Dynamic Performance Analysis of the Coupling Shaft System in a Carpet Tufting Machine Utilizing the Transfer Matrix Method 被引量:1
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作者 徐洋 孙志军 +1 位作者 黄双 盛晓伟 《Journal of Donghua University(English Edition)》 EI CAS 2016年第1期54-59,共6页
The dynamic performance of the coupling shaft system in a carpet tufting machine is the most critical factor affecting the carpet tufting machine's efficiency,and the product quality of the tufted carpet. To deter... The dynamic performance of the coupling shaft system in a carpet tufting machine is the most critical factor affecting the carpet tufting machine's efficiency,and the product quality of the tufted carpet. To determine how to avoid resonance produced by the coupling shaft system's vibration during the weaving process,the dynamic performance of a coupling shaft system in a carpet tufting machine was analyzed. Focusing on a DHGN801D-400 carpet tufting machine,a dynamic model of coupling shaft system was established by utilizing transfer matrix methodology. On the basis of this model,the natural frequencies and mode shapes of the coupling shaft system were obtained through simulations. The correctness of the theoretical model and the dynamic performance of the coupling shaft system were validated by experiments. The first order natural frequency of the coupling shaft system was close to 600 r / min. A conclusion can thus be drawn that operating the carpet tufting machine near this speed should be avoided as much as possible. 展开更多
关键词 carpet tufting machine coupling shaft system transfer matrix natural frequency mode shape
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Partial Discharge Source Classification and De-Noising in Rotating Machines Using Discrete Wavelet Transform and Directional Coupling Capacitor 被引量:1
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作者 Mohammad Amin Kashiha Diman Zad Tootaghaj Dolat Jamshidi 《Journal of Electromagnetic Analysis and Applications》 2009年第2期92-96,共5页
This paper introduces a new method to separate PD1 from other disturbing signals present on the high voltage genera-tors and motors. The method is based on combination of a pattern classifier, the Discrete Wavelet Tra... This paper introduces a new method to separate PD1 from other disturbing signals present on the high voltage genera-tors and motors. The method is based on combination of a pattern classifier, the Discrete Wavelet Transform (DWT), to de-noise PD and Time-Of-Arrival method to separate PD sources. Furthermore, it will be shown that it can recognize PD sources including rotating machine’s internal and external discharge pulses (e.g. on the bus bar). 展开更多
关键词 Partial DISCHARGE Discrete WAVELET Transform TIME-OF-ARRIVAL ROTATING machines DE-NOISING coupling CAPACITOR
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ELECTROMECHANICAL COUPLING MODEL AND ANALYSIS OF TRANSIENT BEHAVIOR FOR INERTIAL RECIPROCATION MACHINES
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作者 胡继云 殷学纲 +1 位作者 于翠萍 ZHANG Ru-qing 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI 2005年第11期1499-1505,共7页
The dynamical equations for a inertial reciprocating machine excited by two rotating eccentric weights were built by the matrix methodology for establishing dynamical equations of discrete systems. A mathematical mode... The dynamical equations for a inertial reciprocating machine excited by two rotating eccentric weights were built by the matrix methodology for establishing dynamical equations of discrete systems. A mathematical model of electromechanical coupling system for the machine was formed by combining the dynamical equations with the state equations of the two motors. The computer simulation to the model was performed for several values of the damping coefficient or the motor power, respectively. The substance of transient behavior of the machine is unveiled by analyzing the results of the computer simulation, and new methods are presented for diminishing the transient amplitude of the vibrating machine and improving the transient behavior. The reliable mathematical model is provided for intelligent control of the transient behavior and engineering design of the equipment. 展开更多
关键词 inertial reciprocating machine electromechanical coupling matrix method transient behavior
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Coupling Characteristics and Control of Dual Mechanical Port Machine with Spoke Type Permanent Magnet Arrangement
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作者 ZHUANG Xingming SONG Qiang +2 位作者 WEN Xuhui ZHAO Feng FAN Tao 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2014年第6期1186-1202,共17页
Dual mechanical port machine(DMPM), as a novel electromechanical energy conversion device, has attracted widespread attention. DMPM with spoke type permanent magnet arrangements(STPM-DMPM), which is one of several... Dual mechanical port machine(DMPM), as a novel electromechanical energy conversion device, has attracted widespread attention. DMPM with spoke type permanent magnet arrangements(STPM-DMPM), which is one of several types of DMPM, has been of interest recently. The unique coupling characteristics of STPM-DMPM are beneficial to improving system performance, but these same characteristics increase the difficulties of control. Now there has been little research about the control of STPM-DMPM, and this has hindered its practical application. Based on a mathematical model of STPM-DMPM, the coupling characteristics and the merits and demerits of such devices are analyzed as applied to a hybrid system. The control strategies for improving the disadvantages and for utilizing the advantage of coupling are researched. In order to weaken the interaction effect of torque outputs in the inner motor and the outer motor that results from coupling in STPM-DMPM, a decoupling control method based on equivalent current control is proposed, and independent torque control for the inner motor and outer motor is achieved. In order to solve address the problem of adequately utilization of coupling, minimizing the overall copper loss of the inner motor and the outer motor of STPM-DMPM is taken as the optimization objective for optimal control, and the purpose of utilizing the coupling adequately and reasonably is achieved. The verification tests of the proposed decoupling control and optimal control strategies are carried out on a prototype STPM-DMPM, and the experimental results show that the interaction effect of torque outputs in the inner motor and the outer motor can be markedly weakened through use of the control method. The overall copper loss of the inner motor and the outer motor can be markedly reduced through use of the optimal control method, while the power output remains unchanged. A breakthrough in the control problem of STPM-DMPM is accomplished by combining the control methods. Good performance in the control of STPM-DMPM will enhance its practicality, particularly as applied to hybrid systems. 展开更多
关键词 dual mechanical port machine spoke type permanent magnet arrangement coupling characteristics decoupling control optimal control
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Electromechanical coupling model and analysis of transient behavior for inertial vibrating machines
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作者 胡继云 《Journal of Chongqing University》 CAS 2004年第2期43-47,共5页
A mathematical model of electromechanical coupling system for a planar inertial vibrating machine is built by setting up dynamical equations of discrete systems with a matrix methodology proposed. The substance of the... A mathematical model of electromechanical coupling system for a planar inertial vibrating machine is built by setting up dynamical equations of discrete systems with a matrix methodology proposed. The substance of the transient behavior of the machine is unveiled by analyzing the results of the computer simulation to the model, and new methods are presented for diminishing the transient amplitude of the vibrating machine and improving the transient behavior. The reliable mathematical model is provided for intelligent control of the transient behavior of the equipment. 展开更多
关键词 inertial vibrating machine electromechanical coupling matrix method transient behavior
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Coupling Coordination Development and Driving Factors of New Energy Vehicles and Ecological Environment in China 被引量:5
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作者 XU Zonghuang 《Wuhan University Journal of Natural Sciences》 2025年第1期79-90,共12页
Studying the coupling coordination development of new energy vehicles(NEVs)and the ecological environment in China is helpful in promoting the development of NEVs in the country and is of great significance in promoti... Studying the coupling coordination development of new energy vehicles(NEVs)and the ecological environment in China is helpful in promoting the development of NEVs in the country and is of great significance in promoting high-quality development of new energy in China.This paper constructs an evaluation index system for the development of NEVs and the ecological environment.It uses game theory combining weighting model,particle swarm optimized projection tracking evaluation model,coupling coordination degree model,and machine learning algorithms to calculate and analyze the level of coupling coordination development of NEVs and the ecological environment in China from 2010 to 2021,and identifies the driving factors.The research results show that:(i)From 2010 to 2021,the development index of NEVs in China has steadily increased from 0.085 to 0.634,while the ecological environment level index significantly rose from 0.170 to 0.884,reflecting the continuous development of China in both NEVs and the ecological environment.(ii)From 2010 to 2012,the two systems—new energy vehicle(NEV)development and the ecological environment—were in a period of imbalance and decline.From 2013 to 2016,they underwent a transition period,and from 2017 to 2021,they entered a period of coordinated development showing a trend of benign and continuous improvement.By 2021,they reached a good level of coordination.(iii)Indicators such as the number of patents granted for NEVs,water consumption per unit of GDP,and energy consumption per unit of GDP are the main driving factors affecting the coupling coordination development of NEVs and the ecological environment in China. 展开更多
关键词 new energy vehicles(NEVs) ecological environment coupling coordination development machine learning driving factors
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Abrasive Waterjet Machining Simulation by Coupling Smoothed Particle Hydrodynamics /Finite Element Method 被引量:10
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作者 WANG Jianming GAO Na GONG Wenjun 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2010年第5期568-573,共6页
In dealing with abrasive waterjet machining(AWJM) simulation,most literatures apply finite element method(FEM) to build pure waterjet models or single abrasive particle erosion models.To overcome the mesh distorti... In dealing with abrasive waterjet machining(AWJM) simulation,most literatures apply finite element method(FEM) to build pure waterjet models or single abrasive particle erosion models.To overcome the mesh distortion caused by large deformation using FEM and to consider the effects of both water and abrasive,the smoothed particle hydrodynamics(SPH) coupled FEM modeling for AWJM simulation is presented,in which the abrasive waterjet is modeled by SPH particles and the target material is modeled by FEM.The two parts interact through contact algorithm.Utilizing this model,abrasive waterjet with high velocity penetrating the target materials is simulated and the mechanism of erosion is depicted.The relationships between the depth of penetration and jet parameters,including water pressure and traverse speed,etc,are analyzed based on the simulation.The simulation results agree well with the existed experimental data.The mixing multi-materials SPH particles,which contain abrasive and water,are adopted by means of the randomized algorithm and material model for the abrasive is presented.The study will not only provide a new powerful tool for the simulation of abrasive waterjet machining,but also be beneficial to understand its cutting mechanism and optimize the operating parameters. 展开更多
关键词 abrasive waterjet machining randomized algorithm coupling SPH/FEM abrasive material models
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Electrochemical machining gap prediction with multi-physics coupling model based on two-phase turbulence flow 被引量:4
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作者 Yuanlong CHEN Xiaochao ZHOU +1 位作者 Peixuan CHEN Ziquan WANG 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2020年第3期1057-1063,共7页
Considering the influence of hydrogen gas generated during electrochemical machining on the conductivity of electrolyte, a two-phase turbulent flow model is presented to describe the gas bubbles distribution.The k-e t... Considering the influence of hydrogen gas generated during electrochemical machining on the conductivity of electrolyte, a two-phase turbulent flow model is presented to describe the gas bubbles distribution.The k-e turbulent model is used to describe the electrolyte flow field.The Euler–Euler model based on viscous drag and pressure force is used to calculate the twodimensional distribution of gas volume fraction.A multi-physics coupling model of electric field,two-phase flow field and temperature field is established and solved by weak coupling iteration method.The numerical simulation results of gas volume fraction, temperature and conductivity in equilibrium state are discussed.The distributions of machining gap at different time are analyzed.The predicted results of the machining gap are consistent with the experimental results, and the maximum deviation between them is less than 50 lm. 展开更多
关键词 Electrochemical machining EQUILIBRIUM machining gap prediction Multi-physics coupling Two-phase turbulent flow
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A liquid loading prediction method of gas pipeline based on machine learning 被引量:5
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作者 Bing-Yuan Hong Sheng-Nan Liu +5 位作者 Xiao-Ping Li Di Fan Shuai-Peng Ji Si-Hang Chen Cui-Cui Li Jing Gong 《Petroleum Science》 SCIE CAS CSCD 2022年第6期3004-3015,共12页
The liquid loading is one of the most frequently encountered phenomena in the transportation of gas pipeline,reducing the transmission efficiency and threatening the flow assurance.However,most of the traditional mech... The liquid loading is one of the most frequently encountered phenomena in the transportation of gas pipeline,reducing the transmission efficiency and threatening the flow assurance.However,most of the traditional mechanism models are semi-empirical models,and have to be resolved under different working conditions with complex calculation process.The development of big data technology and artificial intelligence provides the possibility to establish data-driven models.This paper aims to establish a liquid loading prediction model for natural gas pipeline with high generalization ability based on machine learning.First,according to the characteristics of actual gas pipeline,a variety of reasonable combinations of working conditions such as different gas velocity,pipe diameters,water contents and outlet pressures were set,and multiple undulating pipeline topography with different elevation differences was established.Then a large number of simulations were performed by simulator OLGA to obtain the data required for machine learning.After data preprocessing,six supervised learning algorithms,including support vector machine(SVM),decision tree(DT),random forest(RF),artificial neural network(ANN),plain Bayesian classification(NBC),and K nearest neighbor algorithm(KNN),were compared to evaluate the performance of liquid loading prediction.Finally,the RF and KNN with better performance were selected for parameter tuning and then used to the actual pipeline for liquid loading location prediction.Compared with OLGA simulation,the established data-driven model not only improves calculation efficiency and reduces workload,but also can provide technical support for gas pipeline flow assurance. 展开更多
关键词 liquid loading Data-driven method machine learning Gas pipeline Multiphase flow
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Vibration coupling effects and machining behavior of ultrasonic vibration plate device for creep-feed grinding of Inconel 718 nickel-based superalloy 被引量:9
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作者 Yang CAO Yejun ZHU +3 位作者 Wenfeng DING Yutong QIU Lifeng WANG Jiuhua XU 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2022年第2期332-345,共14页
Ultrasonic vibration-assisted grinding(UVAG)is an effective and promising method for machining of hard-to-cut materials.This article proposed an ultrasonic vibration plate device enabling the longitudinal full-wave an... Ultrasonic vibration-assisted grinding(UVAG)is an effective and promising method for machining of hard-to-cut materials.This article proposed an ultrasonic vibration plate device enabling the longitudinal full-wave and transverse half-wave(L2T1)vibration mode for UVAG.The characteristics of two-dimensional coupled vibration in different directions were analyzed on the basis of apparent elastic method and finite element method.Furthermore,a correction factor was applied to correct the frequency error caused by the apparent elastic method.Finally,the comparative experiments between the conventional creep-feed grinding and UVAG of Inconel 718 nickel-based superalloy were carried out.The results indicate that the apparent elastic method with the correction factor is accurate for the design of plate device under the L2T1 vibration mode.Compared with the conventional creep-feed grinding,the UVAG causes the reduction of grinding force and the improvement of machined surface quality of Inconel 718 nickel-based superalloy.Furthermore,under the current experimental conditions,the optimal ultrasonic vibration amplitude is determined as 6μm,with which the minimum surface roughness is achieved. 展开更多
关键词 Apparent elastic method machining behavior Ultrasonic vibration-assisted grinding Ultrasonic vibration plate device Vibration coupling effects
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Improvement of machine learning-based vertex reconstruction for large liquid scintillator detectors with multiple types of PMTs 被引量:3
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作者 Zi-Yuan Li Zhen Qian +6 位作者 Jie-Han He Wei He Cheng-Xin Wu Xun-Ye Cai Zheng-Yun You Yu-Mei Zhang Wu-Ming Luo 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2022年第7期93-102,共10页
The precise vertex reconstruction for large liquid scintillator detectors is essential.A novel machine learning-based method was successfully developed to reconstruct an event vertex in JUNO.In this study,the performa... The precise vertex reconstruction for large liquid scintillator detectors is essential.A novel machine learning-based method was successfully developed to reconstruct an event vertex in JUNO.In this study,the performance of machine learning-based vertex reconstruction was further improved by optimizing the input images of neural networks.By separating the information of different types of PMTs and adding the information of the second hit of PMTs,the vertex resolution was improved by approximately 9.4% at 1 MeV and 9.8% at 11 MeV. 展开更多
关键词 JUNO liquid scintillator detector Neutrino experiment Vertex reconstruction machine learning
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CUTTING REGULARITY AND DISCHARGE CHARACTERISTICS BY USING COMPOSITE COOLING LIQUID IN WIRE CUT ELECTRICAL DISCHARGE MACHINE WITH HIGH WIRE TRAVELING SPEED 被引量:11
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作者 LIU Zhidong 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2008年第5期41-45,共5页
The analysis of cutting regularity is provided through using and comparing two typical cooling liquids. It is proved that cutting regularity is greatly affected by cooling liquid's washing ability. Discharge characte... The analysis of cutting regularity is provided through using and comparing two typical cooling liquids. It is proved that cutting regularity is greatly affected by cooling liquid's washing ability. Discharge characteristics and theoretic analysis between two electrodes are also discussed based on discharge waveform. By using composite cooling liquid which has strong washing ability, the efficiency in the first stable cutting phase has reached more than 200 mm^2/min, and the roughness of the surface has reached Ra〈0.8 μm after the fourth cutting with more than 50 mm^2/min average cutting efficiency. It is pointed out that cutting situation of the wire cut electrical discharge machine with high wire traveling speed (HSWEDM) is better than the wire cut electrical discharge machine with low wire traveling speed (LSWEDM) in the condition of improving the cooling liquid washing ability. The machining indices of HSWEDM will be increased remarkably by using the composite cooling liquid. 展开更多
关键词 Wire cut electrical discharge machine with high wire traveling speed Composite cooling liquid Discharge characteristic Cutting regularity
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A new solar coupling regeneration method for liquid desiccant air-conditioning system 被引量:2
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作者 程清 张小松 许尧 《Journal of Central South University》 SCIE EI CAS 2014年第8期3214-3224,共11页
A new solar coupling regeneration system is proposed in order to improve the reliability of solar desiccant regeneration system.The new system makes comprehensively use of the solar energy and can also be appropriate ... A new solar coupling regeneration system is proposed in order to improve the reliability of solar desiccant regeneration system.The new system makes comprehensively use of the solar energy and can also be appropriate for energy-storage in a night operation mode when the electric power supply is at its valley.Comparison of the performance of the new system,the solar thermal regeneration system and the solar electrodialysis regeneration system are made and the influential factors of the performance of the new system are investigated.The results reveal that the new system will be more energy efficient than the solar thermal regeneration system and the solar electrodialysis regeneration system. 展开更多
关键词 liquid desiccant REGENERATION coupling regeneration solar energy
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Suzuki Coupling Reaction Catalyzed by Cyclopalladated Complexes of Tertiary Arylamines in Ionic Liquid 被引量:1
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作者 Hua YI Jin Biao LIU +1 位作者 Qiang LI Jie TANG 《Chinese Chemical Letters》 SCIE CAS CSCD 2005年第9期1173-1176,共4页
Suzuki cross-coupling reaction of phenylboronic acid with aryl halides catalyzed by cyclopalladated complexes of tertiary arylamines immobilized in ionic liquid [Bmim]^+BF4^- was reported. The catalytic system proved... Suzuki cross-coupling reaction of phenylboronic acid with aryl halides catalyzed by cyclopalladated complexes of tertiary arylamines immobilized in ionic liquid [Bmim]^+BF4^- was reported. The catalytic system proved to be efficient and be reused at least 3 times without significant loss of activity. 展开更多
关键词 Cyclopalladated complex aryl halides Suzuki coupling BIARYL ionic liquid
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Machine learning-based ionic liquids design and process simulation for CO_(2) separation from flue gas 被引量:4
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作者 Kai Wang Huijin Xu +1 位作者 Chen Yang Ting Qiu 《Green Energy & Environment》 SCIE CSCD 2021年第3期432-443,共12页
Rational design of ionic liquids(ILs),which is highly dependent on the accuracy of the model used,has always been crucial for CO_(2)separation from flue gas.In this study,a support vector machine(SVM)model which is a ... Rational design of ionic liquids(ILs),which is highly dependent on the accuracy of the model used,has always been crucial for CO_(2)separation from flue gas.In this study,a support vector machine(SVM)model which is a machine learning approach is established,so as to improve the prediction accuracy and range of IL melting points.Based on IL melting points data with 600 training data and 168 testing data,the estimated average absolute relative deviations(AARD)and squared correlation coefficients(R^(2))are 3.11%,0.8820 and 5.12%,0.8542 for the training set and testing set of the SVM model,respectively.Then,through the melting points model and other rational design processes including conductor-like screening model for real solvents(COSMO-RS)calculation and physical property constraints,cyano-based ILs are obtained,in which tetracyanoborate[TCB]-is often ruled out due to incorrect estimation of melting points model in the literature.Subsequently,by means of process simulation using Aspen Plus,optimal IL are compared with excellent IL reported in the literature.Finally,1-ethyl-3-methylimidazolium tricyanomethanide[EMIM][TCM]is selected as a most suitable solvent for CO_(2)separation from flue gas,the process of which leads to 12.9%savings on total annualized cost compared to that of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide[EMIM][Tf_(2)N]. 展开更多
关键词 Ionic liquid Rational design CO_(2)separation Support vector machine Process simulation
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Coupling Frequency of the Liquid Sloshing in a Cylindrical Tank with a Flexible Baffle 被引量:1
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作者 岳宝增 《Journal of Beijing Institute of Technology》 EI CAS 2006年第1期1-4,共4页
The coupling oscillation of a liquid in a cylindrical tank with an elastic slosh baffle is investigated. Free surface conditions are considered in the study. The complexity of the coupled boundary-value problem for th... The coupling oscillation of a liquid in a cylindrical tank with an elastic slosh baffle is investigated. Free surface conditions are considered in the study. The complexity of the coupled boundary-value problem for the liquid and elastic damping spacer results in significant analytical difficulties. Two different velocity potential functions are respectively used in the liquid domain above, or below the damping spacer. A coupled frequency equation is obtained by using the pair of velocity potential functions. The numerical and theoretical analysis show that the natural frequency changes according to the location and stiffness of the spacer. Results indicate that the frequency coupling between damping spacer and sloshing liquid is obvious near the free liquid surface. It is shown that the coupling frequency increases with the increase of damping baffle rigidity. 展开更多
关键词 liquid sloshing coupled frequency liquid-filled spacecraft
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Flight Dynamic Analysis of Hypersonic Vehicle Considering Liquid-Solid Coupling 被引量:1
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作者 徐晓东 黄一敏 蔡晓斌 《Transactions of Nanjing University of Aeronautics and Astronautics》 EI CSCD 2015年第1期81-88,共8页
With the liquid propellant making up 60%—70% of the takeoff weight of the hypersonic vehicle,the dynamic load caused by great propellant sloshing interacts with the flexible structure of the aircraft.Therefore,the dy... With the liquid propellant making up 60%—70% of the takeoff weight of the hypersonic vehicle,the dynamic load caused by great propellant sloshing interacts with the flexible structure of the aircraft.Therefore,the dynamic model displays characteristics of strong coupling with structure/control and nonlinearity.Based on the sloshing mass dynamic simplified as a spring-mass-damping model,a rigid-flexible-sloshing model is constructed.Moreover,the effect on the dynamic performance of the coupled model is analyzed with changing frequency and damping.The results show that propellant sloshing dynamics significantly affects the rigid body motion modes,especially flexible mode and short mode.The right half plane pole(RHP)moves far from the imaginary axis with the consumption of the propellant.The flexible mode attenuates with the increase of the sloshing damping,and the coupling becomes stronger when sloshing frequency is close to the short mode frequency or the flexible frequency of the beam. 展开更多
关键词 hypersonic vehicles liquid propellant sloshing coupling model structure vibration
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