An approximation for the one-way wave operator takes the form of separated space and wave-number variables and makes it possible to use the FFT, which results in a great improvement in the computational efficiency. Fr...An approximation for the one-way wave operator takes the form of separated space and wave-number variables and makes it possible to use the FFT, which results in a great improvement in the computational efficiency. From the function approximation perspective, the OSA method shares the same separable approximation format to the one-way wave operator as other separable approximation methods but it is the only global function approximation among these methods. This leads to a difference in the phase error curve, impulse response, and migration result from other separable approximation methods. The difference is that the OSA method has higher accuracy, and the sensitivity to the velocity variation declines with increasing order.展开更多
Seven types of activated carbon were used to investigate the effect of their structure on separation of CO2 from（H2 ＋ CO2） gas mixture by the adsorption method at ambient temperature and higher pressures. The resul...Seven types of activated carbon were used to investigate the effect of their structure on separation of CO2 from（H2 ＋ CO2） gas mixture by the adsorption method at ambient temperature and higher pressures. The results showed that the limiting factors for separation of CO2 from 53.6 mol% H2 ＋ 46.4 mol% CO2 mixture and from 85.1 mol% H2 ＋ 14.9 mol% CO2 mixture were different at 20 °C and about 2 MPa. The best separation result could be achieved when the pore diameter of the activated carbon ranged from 0.77 to 1.20 nm, and the median particle size was about2.07 lm for 53.6 mol% H2 ＋ 46.4 mol% CO2 mixture and 1.41 lm for 85.1 mol% H2 ＋ 14.9 mol% CO2 mixture. The effect of specific area and pore diameter of activated carbon on separation CO2 from 53.6 mol% H2 ＋ 46.4 mol% CO2 mixture was more significant than that from 85.1 mol% H2 ＋ 14.9 mol% CO2 mixture. CO2 in the gas phase can be decreased from 46.4 mol% to 2.3 mol%–4.3 mol% with a two-stage separation process.展开更多
Separate type heat pipe heat exchangers are often used for large-scale heat exchanging. The arrangement of such a heat exchanger conveniently allows heat input to and output from the heat exchanger at remote locations...Separate type heat pipe heat exchangers are often used for large-scale heat exchanging. The arrangement of such a heat exchanger conveniently allows heat input to and output from the heat exchanger at remote locations. The traditional method of designing an ordinary HPHE (heat pipe heat exchanger) is commonly applied in the separate type exchanger design, but the calculations have to be carried out separately, which makes it very complicated. In this work, the ε-NTU (effectiveness-Number of Transfer Units) method was applied for optimization analysis of single- or multi-level separate type heat pipe heat exchangers. An optimizing formula for single-level separate type heat pipe heat exchangers was obtained. The optimizing principles of effec- tiveness-NTU and heat transfer rate by the equal distribution method for multi-level separate type heat pipe heat exchanger are presented. The design of separate type heat pipe heat exchangers by the optimizing method is more convenient and faster than by the traditional method.展开更多
The offset-domain prestack depth migration with optimal separable approximation, based on the double square root equation, is used to image complex media with large and rapid velocity variations. The method downward c...The offset-domain prestack depth migration with optimal separable approximation, based on the double square root equation, is used to image complex media with large and rapid velocity variations. The method downward continues the source and the receiver wavefields simultaneously. The mixed domain algorithm with forward Fourier and inverse Fourier transform is used to construct the double square root equation wavefield extrapolation operator. This operator separates variables in the wave number domain and variables in the space domain. The phase operation is implemented in the wave number domain, whereas the time delay for lateral velocity variation is corrected in the space domain. The migration algorithm is efficient since the seismic data are not computed shot by shot. The data set test of the Marmousi model indicates that the offset-domain migration provides a satisfied seismic migration section on which complex geologic structures are imaged in media with large and rapid lateral velocity variations.展开更多
Metal-free organic emitters,characterized by their thermally activated delayed fluorescence(TADF)properties,offer considerable promise for the creation of highly efficient organic light-emitting diodes(OLEDs).Recently...Metal-free organic emitters,characterized by their thermally activated delayed fluorescence(TADF)properties,offer considerable promise for the creation of highly efficient organic light-emitting diodes(OLEDs).Recently,Shao et al.presented a novel excited state intramolecular proton transfer(ESIPT)system BrA-HBI,demonstrating an emission quantum yield of up to 50%[Adv.Funct.Mater.32,2201256(2022)].However,many open issues cannot be answered solely by experimental means only and require detailed theoretical investigations.For instance,what causes the activation of TADF from the Keto^(*) tautomer and leads to fluorescence quenching in the Enol^(*)form?Herein,we provide a theoretical investigation on the TADF mechanism of the BrA-HBI molecule by optimally tuned range-separated functionals.Our findings reveal that ESIPT occurs in the BrA-HBI molecule.Moreover,we have disclosed the reason for the fluorescence quenching of the Enol^(*)form and determined that the T_(2)state plays a dominant role in the TADF phenomenon.In addition,double hybrid density functionals method was utilized to verify the reliability of optimally tuned range separation functionals on the calculation of the TADF mechanism in BrA-HBI.These findings not only provide a theoretical reference for development of highly efficient organic light-emitting diodes,but also demonstrate the effectiveness of the optimally tuned range-separated functionals in predicting the luminescence properties of TADF molecules.展开更多
A dynamic programming-sequential quadratic programming(DP-SQP)combined algorithm is proposed to address the problem that the traditional continuous control method has high computational complexity and is easy to fall ...A dynamic programming-sequential quadratic programming(DP-SQP)combined algorithm is proposed to address the problem that the traditional continuous control method has high computational complexity and is easy to fall into local optimal solution.To solve the globally optimal control law sequence,we use the dynamic programming algorithm to discretize the separation control decision-making process into a series of sub-stages based on the time characteristics of the separation allocation model,and recursion from the end stage to the initial stage.The sequential quadratic programming algorithm is then used to solve the optimal return function and the optimal control law for each sub-stage.Comparative simulations of the combined algorithm and the traditional algorithm are designed to validate the superiority of the combined algorithm.Aircraft-following and cross-conflict simulation examples are created to demonstrate the combined algorithm’s adaptability to various conflict scenarios.The simulation results demonstrate the separation deploy strategy’s effectiveness,efficiency,and adaptability.展开更多
An accurate and wide-angle one-way propagator for wavefield extrapolation is an important topic for research on wave-equation prestack depth migration in the presence of large and rapid velocity variations. Based on t...An accurate and wide-angle one-way propagator for wavefield extrapolation is an important topic for research on wave-equation prestack depth migration in the presence of large and rapid velocity variations. Based on the optimal separable approximation presented in this paper, the mixed domain algorithm with forward and inverse Fourier transforms is used to construct the 3D one-way wavefield extrapolation operator. This operator separates variables in the wavenumber and spatial domains. The phase shift operation is implemented in the wavenumber domain while the time delay for lateral velocity variation is corrected in the spatial domain. The impulse responses of the one-way wave operator show that the numeric computation is consistent with the theoretical value for each velocity, revealing that the operator constructed with the optimal separable approximation can be applied to lateral velocity variations for the case of small steps. Imaging results of the SEG/EAGE model and field data indicate that the new method can be used to image complex structure.展开更多
Based on the similarity of separation time,a similarity law optimization method for high-speed weapon delivery test is derived.The typical separation state under wind load is simulated by the numerical method.The real...Based on the similarity of separation time,a similarity law optimization method for high-speed weapon delivery test is derived.The typical separation state under wind load is simulated by the numerical method.The real separation data of aircraft,separation data of previous test methods,separation data of ideal wind tunnel test of previous methods,and simulation data of the proposed optimization method are obtained.A comparison of the data shows that the method proposed can improve the performance of tracking.Similarity law optimization starts with the development of motion equations and dynamic equations in the windless state to address the problems of mismatching between vertical and horizontal displacement,and to address the problems of separation trajectory distortion caused by insufficient gravity acceleration of the scaling model of existing light model.The ejection velocity of the model is taken as a factor/vector,and is adjusted reasonably to compensate the linear displacement insufficiency caused by the insufficient vertical acceleration of the light model method,so as to ensure the matching of the vertical and horizontal displacement of the projectile,and to improve the consistency between the test results of high-speed projection and the actual separation trajectory.The optimized similarity law is applicable to many existing free-throwing modes of high-speed wind tunnels.The optimized similarity law is not affected by the ejection velocity and hanging mode of the projectile.The optimized similarity law is suitable not only for the launching of the buried ammunition compartment and external stores,but also for the test design of projectile launching and gravity separation.展开更多
In this paper, the separation of aromatics from light naphtha by using extraction process was investigated for improving the utilization efficiency of naphtha. It is indicated that, using a mixture of propylene carbon...In this paper, the separation of aromatics from light naphtha by using extraction process was investigated for improving the utilization efficiency of naphtha. It is indicated that, using a mixture of propylene carbonate-diethylene glycol as the solvent, the optimal extraction conditions cover: a volume fraction of propylene carbonate in the mixed solvent of 0.3, a solvent to feed ratio of 8, and an extraction temperature of 308 K. Through the extraction process, the aromatics mass fraction increases from 10.05% in naphtha to 27.74% in extract oil. It is found that the aromatics yield of extract oil, R_A, reaches 92.11%. As a result, in comparison with naphtha, the potential aromatics content of extract oil increases impressively by 18.03%. Meanwhile, the aromatics content of raffinate oil decreases to 1.33%, and the normal paraffin yield of raffinate oil, Rp, is 76.61%. Accordingly, higher total olefins yields can be obtained when using raffinate oil as the raw material for steam cracking. The present results show that the utilization efficiency of naphtha is improved through extraction process.展开更多
In order to determine the optimal mode of capillary electrophoresis for the impurity control of β-lactam antibiotics, different modes and various electrophoresis conditions for the separation of impurities were compa...In order to determine the optimal mode of capillary electrophoresis for the impurity control of β-lactam antibiotics, different modes and various electrophoresis conditions for the separation of impurities were compared.The results showed that micellar electrokinetic capillary chromatography（MEKC） was the optimal separation mode for the impurity profiling of β-lactam antibiotics.In MEKC,not only the common R and S isomers,Δ-2 andΔ-3 isomers,and Z and E isomers,but also the impurities of β-lactam antibiotics could be well separated compared with the capillary zone electrophoresis.Therefore,MECK is the first choice for the separation of impurities of β-lactam antibiotics with capillary electrophoresis（CE）.The optimal separation could be achieved in MEKC by optimizing the pH and the concentrations of buffered saline,micelles and organic solvent（methanol） in running buffer.展开更多
A stochastic optimal control strategy for partially observable nonlinear quasi Hamiltonian systems is proposed. The optimal control forces consist of two parts. The first part is determined by the conditions under whi...A stochastic optimal control strategy for partially observable nonlinear quasi Hamiltonian systems is proposed. The optimal control forces consist of two parts. The first part is determined by the conditions under which the stochastic optimal control problem of a partially observable nonlinear system is converted into that of a completely observable linear system. The second part is determined by solving the dynamical programming equation derived by applying the stochastic averaging method and stochastic dynamical programming principle to the completely observable linear control system. The response of the optimally controlled quasi Hamiltonian system is predicted by solving the averaged Fokker-Planck-Kolmogorov equation associated with the optimally controlled completely observable linear system and solving the Riccati equation for the estimated error of system states. An example is given to illustrate the procedure and effectiveness of the proposed control strategy.展开更多
Coal bed methane （CBM） has a huge potential to be purified to relieve the shortage of natural gas meanwhile to weaken the greenhouse effect. This paper proposed an optimal design strategy for CBM to obtain an integr...Coal bed methane （CBM） has a huge potential to be purified to relieve the shortage of natural gas meanwhile to weaken the greenhouse effect. This paper proposed an optimal design strategy for CBM to obtain an integrated process configuration consisting of three each single separation units, membrane, pressure swing absorption, and cryogenics. A superstructure model was established including all possible network configurations which were solved by MINLP. The design strategy optimized the separation unit configuration and operating conditions to satisfy the target of minimum total annual process cost. An example was presented for the separation of CH4/N2 mixtures in coal bed methane （CBM） treatment. The key operation parameters were also studied and they showed the influence to process configurations.展开更多
Currently, the majority of copper tailings are not effectively developed. Worldwide, large amounts of copper tailings generated from copper production are continuously dumped, posing a potential environmental threat. ...Currently, the majority of copper tailings are not effectively developed. Worldwide, large amounts of copper tailings generated from copper production are continuously dumped, posing a potential environmental threat. Herein, the recovery of iron from copper tailings via low-temperature direct reduction and magnetic separation was conducted; process optimization was carried out, and the corresponding mineralogy was investigated. The reduction time, reduction temperature, reducing agent (coal), calcium chloride additive, grinding time, and magnetic field intensity were examined for process optimization. Mineralogical analyses of the sample, reduced pellets, and magnetic concentrate under various conditions were performed by X-ray diffraction, optical microscopy, and scanning electron microscopy-energy-dispersive X-ray spectrometry to elucidate the iron reduction and growth mechanisms. The results indicated that the optimum parameters of iron recovery include a reduction temperature of 1150A degrees C, a reduction time of 120 min, a coal dosage of 25%, a calcium chloride dosage of 2.5%, a magnetic field intensity of 100 mT, and a grinding time of 1 min. Under these conditions, the iron grade in the magnetic concentrate was greater than 90%, with an iron recovery ratio greater than 95%.展开更多
As a driving element,the spiral torsion spring can control the release velocity by the optimization design of spring parameters and be used for separation devices,which is conducive to unlocking synchronicity and low-...As a driving element,the spiral torsion spring can control the release velocity by the optimization design of spring parameters and be used for separation devices,which is conducive to unlocking synchronicity and low-shock of the separation. On the basis of analyzing the performance requirements of the spiral torsion spring in a spacecraft device,the optimization design model of the spiral torsion spring is given, which takes the spiral torsion spring's length,width and thickness as the optimization variables,and the minimum volume as the optimization objective. The model considers output torque,strength,the maximal resetting load,holding force,and low shock as constraint conditions. A case is given to analyze the proposed model. The analysis results show the optimization scheme decreases the volume of the spiral torsion spring and meets the performance requirements of the separation device.展开更多
In order to acquire the flow pattern and investigate the settling behavior of the red mud in the separation thickener,computational fluid dynamics(CFD),custom subroutines and agglomerates settling theory were employed...In order to acquire the flow pattern and investigate the settling behavior of the red mud in the separation thickener,computational fluid dynamics(CFD),custom subroutines and agglomerates settling theory were employed to simulate the three-dimensional flow field in an industrial scale thickener with the introduction of a self-dilute feed system.The simulation results show good agreement with the measurement onsite and the flow patterns of the thickener are presented and discussed on both velocity and concentration field.Optimization experiments on feed well and self-dilute system were also carried out,and indicate that the optimal thickener system can dilute the solid concentration in feed well from 110 g/L to 86 g/L which would help the agglomerates' formation and improve the red mud settling speed.Furthermore,the additional power of recirculation pump can be saved and flocculants dosage was reduced from 105g/t to 85g/t in the operation.展开更多
This work provides an overview of distillation processes,including process design for different distillation processes,selection of entrainers for special distillation processes,system integration and intensification ...This work provides an overview of distillation processes,including process design for different distillation processes,selection of entrainers for special distillation processes,system integration and intensification of distillation processes,optimization of process parameters for distillation processes and recent research progress in dynamic control strategies.Firstly,the feasibility of using thermodynamic topological theories such as residual curve,phase equilibrium line and distillation boundary line to analyze different separation regions is discussed,and the rationality of distillation process design is discussed by using its feasibility.Secondly,the application of molecular simulation methods such as molecular dynamics simulation and quantum chemical calculation in the screening of entrainer is discussed for the extractive distillation process.The thermal coupling mechanism of different distillation processes is used to explore the process of different process intensifications.Next,a mixed integer nonlinear optimization strategy for the distillation process based on different algorithms is introduced.Finally,the improvement of dynamic control strategies for different distillation processes in recent years is summarized.This work focuses on the application of process intensification and system optimization in the design of distillation process,and analyzes the challenges,prospects,and development trends of distillation technology in the separation of multicomponent azeotropes.展开更多
In order to overcome the disturbance of noise,this paper presented a method to measure two-phase flow velocity using particle swarm optimization algorithm,nonlinear blind source separation and cross correlation method...In order to overcome the disturbance of noise,this paper presented a method to measure two-phase flow velocity using particle swarm optimization algorithm,nonlinear blind source separation and cross correlation method.Because of the nonlinear relationship between the output signals of capacitance sensors and fluid in pipeline,nonlinear blind source separation is applied.In nonlinear blind source separation,the odd polynomials of higher order are used to fit the nonlinear transformation function,and the mutual information of separation signals is used as the evaluation function.Then the parameters of polynomial and linear separation matrix can be estimated by mutual information of separation signals and particle swarm optimization algorithm,thus the source signals can be separated from the mixed signals.The two-phase flow signals with noise which are obtained from upstream and downstream sensors are respectively processed by nonlinear blind source separation method so that the noise can be effectively removed.Therefore,based on these noise-suppressed signals,the distinct curves of cross correlation function and the transit times are obtained,and then the velocities of two-phase flow can be accurately calculated.Finally,the simulation experimental results are given.The results have proved that this method can meet the measurement requirements of two-phase flow velocity.展开更多
An algorithm capable of predicting and optimizing the gradient separation of LC×LC system was developed in this paper.Two groups of structural analogues,five ginsenosides as well as eight bisphenols,which were di...An algorithm capable of predicting and optimizing the gradient separation of LC×LC system was developed in this paper.Two groups of structural analogues,five ginsenosides as well as eight bisphenols,which were difficult to discriminate in routine analysis,were used to verify the effectiveness of the proposed algorithm in fast separation optimization.Average errors of retention times below 1%were found in the retention prediction for all types of gradient programs,implying that the theory could lead to high quality in prediction of the retention times under gradients elution.Meanwhile,84%of relative average deviations(RADs)between the predicted peak width and the measured ones were less than 20%.The larger deviation occurred at the time when the peak appeared while the gradient of the mobile phase changed,which led the deviations increased to 20%–42%.In all,method development and optimization for LC×LC tandem system was realized by the homemade user-friendly software.The present protocol may turn on great opportunities for the convenient method development in analysis of trace structural analogues in environmental,food and biological samples.展开更多
In the realm of the synthesis of heat-integrated distillation configurations,the conventional approach for exploring more heat integration possibilities typically entails the splitting of a single column into a twocol...In the realm of the synthesis of heat-integrated distillation configurations,the conventional approach for exploring more heat integration possibilities typically entails the splitting of a single column into a twocolumn configuration.However,this approach frequently necessitates tedious enumeration procedures,resulting in a considerable computational burden.To surmount this formidable challenge,the present study introduces an innovative remedy:The proposition of a superstructure that encompasses both single-column and multiple two-column configurations.Additionally,a simultaneous optimization algorithm is applied to optimize both the process parameters and heat integration structures of the twocolumn configurations.The effectiveness of this approach is demonstrated through a case study focusing on industrial organosilicon separation.The results underscore that the superstructure methodology not only substantially mitigates computational time compared to exhaustive enumeration but also furnishes solutions that exhibit comparable performance.展开更多
Pointing mechanism is widely used in aerospace field,and its pointing accuracy and stability have high requirements.The pointing mechanism will be affected by external interference when it works.In order to eliminate ...Pointing mechanism is widely used in aerospace field,and its pointing accuracy and stability have high requirements.The pointing mechanism will be affected by external interference when it works.In order to eliminate the impact of interference forces on the output accuracy of the mechanism,firstly,this paper proposes a design method for highprecision pointing mechanisms based on interference separation,aiming at the high-precision pointing requirements of pointing mechanisms.Based on the screw theory,a synthesis method for inner compensation mechanisms has been proposed.And a new type of double-layer parallel mechanism has been designed to compensate for interference forces.Then,the kinematics and dynamics of the mechanism are carried out.An evaluation index for compensating external interference forces is proposed.The interference compensation analysis is conducted for the pointing mechanism.The correctness of the proposed interference force compensation coefficient is verified.Finally,in order to find the optimal solution for the workspace and interference force compensation coefficient of the pointing mechanism,multi-objective optimization design of the structural parameters of the mechanism was carried out based on the particle swarm optimization algorithm.This provides a theoretical basis for the prototype design of the subsequent double-layer parallel mechanism.This double-layer parallel mechanism combines the advantages of large load-bearing capacity,large workspace,and high output accuracy.It can be better applied in the aerospace field where high-precision pointing and force interference compensation are integrated.展开更多
基金sponsored by the National Natural Science Foundation of China (Nos. 40774069 and 40974074)the State Key Program of National Natural Science of China (No. 40830424)the National 973program (No. 007209603)
文摘An approximation for the one-way wave operator takes the form of separated space and wave-number variables and makes it possible to use the FFT, which results in a great improvement in the computational efficiency. From the function approximation perspective, the OSA method shares the same separable approximation format to the one-way wave operator as other separable approximation methods but it is the only global function approximation among these methods. This leads to a difference in the phase error curve, impulse response, and migration result from other separable approximation methods. The difference is that the OSA method has higher accuracy, and the sensitivity to the velocity variation declines with increasing order.
基金the Talent Scientific Research Fund of LSHU (No. 2016XJJ-015)the fund of the Liaoning Provincial Department of Education (No. L2017LQN005)the National Natural Science Foundation of China (No. 21606120)
文摘Seven types of activated carbon were used to investigate the effect of their structure on separation of CO2 from（H2 ＋ CO2） gas mixture by the adsorption method at ambient temperature and higher pressures. The results showed that the limiting factors for separation of CO2 from 53.6 mol% H2 ＋ 46.4 mol% CO2 mixture and from 85.1 mol% H2 ＋ 14.9 mol% CO2 mixture were different at 20 °C and about 2 MPa. The best separation result could be achieved when the pore diameter of the activated carbon ranged from 0.77 to 1.20 nm, and the median particle size was about2.07 lm for 53.6 mol% H2 ＋ 46.4 mol% CO2 mixture and 1.41 lm for 85.1 mol% H2 ＋ 14.9 mol% CO2 mixture. The effect of specific area and pore diameter of activated carbon on separation CO2 from 53.6 mol% H2 ＋ 46.4 mol% CO2 mixture was more significant than that from 85.1 mol% H2 ＋ 14.9 mol% CO2 mixture. CO2 in the gas phase can be decreased from 46.4 mol% to 2.3 mol%–4.3 mol% with a two-stage separation process.
文摘Separate type heat pipe heat exchangers are often used for large-scale heat exchanging. The arrangement of such a heat exchanger conveniently allows heat input to and output from the heat exchanger at remote locations. The traditional method of designing an ordinary HPHE (heat pipe heat exchanger) is commonly applied in the separate type exchanger design, but the calculations have to be carried out separately, which makes it very complicated. In this work, the ε-NTU (effectiveness-Number of Transfer Units) method was applied for optimization analysis of single- or multi-level separate type heat pipe heat exchangers. An optimizing formula for single-level separate type heat pipe heat exchangers was obtained. The optimizing principles of effec- tiveness-NTU and heat transfer rate by the equal distribution method for multi-level separate type heat pipe heat exchanger are presented. The design of separate type heat pipe heat exchangers by the optimizing method is more convenient and faster than by the traditional method.
基金This paper is supported by the National Natural Science Foundation of China (No. 40474047)State Key Laboratory of Geological Processes and Mineral Resources (No. GPMR200654)the Focused Subject Program of Beijing (No. XK104910598).
文摘The offset-domain prestack depth migration with optimal separable approximation, based on the double square root equation, is used to image complex media with large and rapid velocity variations. The method downward continues the source and the receiver wavefields simultaneously. The mixed domain algorithm with forward Fourier and inverse Fourier transform is used to construct the double square root equation wavefield extrapolation operator. This operator separates variables in the wave number domain and variables in the space domain. The phase operation is implemented in the wave number domain, whereas the time delay for lateral velocity variation is corrected in the space domain. The migration algorithm is efficient since the seismic data are not computed shot by shot. The data set test of the Marmousi model indicates that the offset-domain migration provides a satisfied seismic migration section on which complex geologic structures are imaged in media with large and rapid lateral velocity variations.
基金supported by the National Natural Science Foundation of China(Grant No.12174149)。
文摘Metal-free organic emitters,characterized by their thermally activated delayed fluorescence(TADF)properties,offer considerable promise for the creation of highly efficient organic light-emitting diodes(OLEDs).Recently,Shao et al.presented a novel excited state intramolecular proton transfer(ESIPT)system BrA-HBI,demonstrating an emission quantum yield of up to 50%[Adv.Funct.Mater.32,2201256(2022)].However,many open issues cannot be answered solely by experimental means only and require detailed theoretical investigations.For instance,what causes the activation of TADF from the Keto^(*) tautomer and leads to fluorescence quenching in the Enol^(*)form?Herein,we provide a theoretical investigation on the TADF mechanism of the BrA-HBI molecule by optimally tuned range-separated functionals.Our findings reveal that ESIPT occurs in the BrA-HBI molecule.Moreover,we have disclosed the reason for the fluorescence quenching of the Enol^(*)form and determined that the T_(2)state plays a dominant role in the TADF phenomenon.In addition,double hybrid density functionals method was utilized to verify the reliability of optimally tuned range separation functionals on the calculation of the TADF mechanism in BrA-HBI.These findings not only provide a theoretical reference for development of highly efficient organic light-emitting diodes,but also demonstrate the effectiveness of the optimally tuned range-separated functionals in predicting the luminescence properties of TADF molecules.
基金supported in part by the National Natural Science Foundation of China(Nos.61773202,52072174)the Foundation of National Defense Science and Technology Key Laboratory of Avionics System Integrated Technology of China Institute of Aeronautical Radio Electronics(No.6142505180407)+1 种基金the Open Fund for Civil Aviation General Aviation Operation Key Laboratory of China Civil Aviation Management Cadre Institute(No.CAMICKFJJ-2019-04)the National key R&D plan(No.2021YFB1600500)。
文摘A dynamic programming-sequential quadratic programming(DP-SQP)combined algorithm is proposed to address the problem that the traditional continuous control method has high computational complexity and is easy to fall into local optimal solution.To solve the globally optimal control law sequence,we use the dynamic programming algorithm to discretize the separation control decision-making process into a series of sub-stages based on the time characteristics of the separation allocation model,and recursion from the end stage to the initial stage.The sequential quadratic programming algorithm is then used to solve the optimal return function and the optimal control law for each sub-stage.Comparative simulations of the combined algorithm and the traditional algorithm are designed to validate the superiority of the combined algorithm.Aircraft-following and cross-conflict simulation examples are created to demonstrate the combined algorithm’s adaptability to various conflict scenarios.The simulation results demonstrate the separation deploy strategy’s effectiveness,efficiency,and adaptability.
基金This research is sponsored by China National Natural Science Foundation （N0. 40474047）.
文摘An accurate and wide-angle one-way propagator for wavefield extrapolation is an important topic for research on wave-equation prestack depth migration in the presence of large and rapid velocity variations. Based on the optimal separable approximation presented in this paper, the mixed domain algorithm with forward and inverse Fourier transforms is used to construct the 3D one-way wavefield extrapolation operator. This operator separates variables in the wavenumber and spatial domains. The phase shift operation is implemented in the wavenumber domain while the time delay for lateral velocity variation is corrected in the spatial domain. The impulse responses of the one-way wave operator show that the numeric computation is consistent with the theoretical value for each velocity, revealing that the operator constructed with the optimal separable approximation can be applied to lateral velocity variations for the case of small steps. Imaging results of the SEG/EAGE model and field data indicate that the new method can be used to image complex structure.
基金supported by the Advanced Research Fund for Weapons and Equipment Development of China.
文摘Based on the similarity of separation time,a similarity law optimization method for high-speed weapon delivery test is derived.The typical separation state under wind load is simulated by the numerical method.The real separation data of aircraft,separation data of previous test methods,separation data of ideal wind tunnel test of previous methods,and simulation data of the proposed optimization method are obtained.A comparison of the data shows that the method proposed can improve the performance of tracking.Similarity law optimization starts with the development of motion equations and dynamic equations in the windless state to address the problems of mismatching between vertical and horizontal displacement,and to address the problems of separation trajectory distortion caused by insufficient gravity acceleration of the scaling model of existing light model.The ejection velocity of the model is taken as a factor/vector,and is adjusted reasonably to compensate the linear displacement insufficiency caused by the insufficient vertical acceleration of the light model method,so as to ensure the matching of the vertical and horizontal displacement of the projectile,and to improve the consistency between the test results of high-speed projection and the actual separation trajectory.The optimized similarity law is applicable to many existing free-throwing modes of high-speed wind tunnels.The optimized similarity law is not affected by the ejection velocity and hanging mode of the projectile.The optimized similarity law is suitable not only for the launching of the buried ammunition compartment and external stores,but also for the test design of projectile launching and gravity separation.
基金financially supported by the Natural Science Foundation of Shanghai, China (16ZR1408100)the Fundamental Research Funds for the Central Universities of China (22A201514010)
文摘In this paper, the separation of aromatics from light naphtha by using extraction process was investigated for improving the utilization efficiency of naphtha. It is indicated that, using a mixture of propylene carbonate-diethylene glycol as the solvent, the optimal extraction conditions cover: a volume fraction of propylene carbonate in the mixed solvent of 0.3, a solvent to feed ratio of 8, and an extraction temperature of 308 K. Through the extraction process, the aromatics mass fraction increases from 10.05% in naphtha to 27.74% in extract oil. It is found that the aromatics yield of extract oil, R_A, reaches 92.11%. As a result, in comparison with naphtha, the potential aromatics content of extract oil increases impressively by 18.03%. Meanwhile, the aromatics content of raffinate oil decreases to 1.33%, and the normal paraffin yield of raffinate oil, Rp, is 76.61%. Accordingly, higher total olefins yields can be obtained when using raffinate oil as the raw material for steam cracking. The present results show that the utilization efficiency of naphtha is improved through extraction process.
基金National Key New Drug R&D Program Foundation of China(Grant No.2009ZX09313-027)
文摘In order to determine the optimal mode of capillary electrophoresis for the impurity control of β-lactam antibiotics, different modes and various electrophoresis conditions for the separation of impurities were compared.The results showed that micellar electrokinetic capillary chromatography（MEKC） was the optimal separation mode for the impurity profiling of β-lactam antibiotics.In MEKC,not only the common R and S isomers,Δ-2 andΔ-3 isomers,and Z and E isomers,but also the impurities of β-lactam antibiotics could be well separated compared with the capillary zone electrophoresis.Therefore,MECK is the first choice for the separation of impurities of β-lactam antibiotics with capillary electrophoresis（CE）.The optimal separation could be achieved in MEKC by optimizing the pH and the concentrations of buffered saline,micelles and organic solvent（methanol） in running buffer.
基金Project supported by the National Natural Science Foundation ofChina (No. 10332030), the Special Fund for Doctor Programs inInstitutions of Higher Learning of China (No. 20020335092), andthe Zhejiang Provincial Natural Science Foundation (No. 101046),China
文摘A stochastic optimal control strategy for partially observable nonlinear quasi Hamiltonian systems is proposed. The optimal control forces consist of two parts. The first part is determined by the conditions under which the stochastic optimal control problem of a partially observable nonlinear system is converted into that of a completely observable linear system. The second part is determined by solving the dynamical programming equation derived by applying the stochastic averaging method and stochastic dynamical programming principle to the completely observable linear control system. The response of the optimally controlled quasi Hamiltonian system is predicted by solving the averaged Fokker-Planck-Kolmogorov equation associated with the optimally controlled completely observable linear system and solving the Riccati equation for the estimated error of system states. An example is given to illustrate the procedure and effectiveness of the proposed control strategy.
基金supported by the National Natural Science Foundation of China(Grant No.51176051)the PetroChina Innovation Foundation(2012D- 5006-0210)the Colleges and Universities High-level Talents Program of Guangdong
文摘Coal bed methane （CBM） has a huge potential to be purified to relieve the shortage of natural gas meanwhile to weaken the greenhouse effect. This paper proposed an optimal design strategy for CBM to obtain an integrated process configuration consisting of three each single separation units, membrane, pressure swing absorption, and cryogenics. A superstructure model was established including all possible network configurations which were solved by MINLP. The design strategy optimized the separation unit configuration and operating conditions to satisfy the target of minimum total annual process cost. An example was presented for the separation of CH4/N2 mixtures in coal bed methane （CBM） treatment. The key operation parameters were also studied and they showed the influence to process configurations.
基金financially supported by the National Natural Science Foundation of China (No. 51674026)
文摘Currently, the majority of copper tailings are not effectively developed. Worldwide, large amounts of copper tailings generated from copper production are continuously dumped, posing a potential environmental threat. Herein, the recovery of iron from copper tailings via low-temperature direct reduction and magnetic separation was conducted; process optimization was carried out, and the corresponding mineralogy was investigated. The reduction time, reduction temperature, reducing agent (coal), calcium chloride additive, grinding time, and magnetic field intensity were examined for process optimization. Mineralogical analyses of the sample, reduced pellets, and magnetic concentrate under various conditions were performed by X-ray diffraction, optical microscopy, and scanning electron microscopy-energy-dispersive X-ray spectrometry to elucidate the iron reduction and growth mechanisms. The results indicated that the optimum parameters of iron recovery include a reduction temperature of 1150A degrees C, a reduction time of 120 min, a coal dosage of 25%, a calcium chloride dosage of 2.5%, a magnetic field intensity of 100 mT, and a grinding time of 1 min. Under these conditions, the iron grade in the magnetic concentrate was greater than 90%, with an iron recovery ratio greater than 95%.
基金Natural Science Foundation of Liaoning Province,China(No.2015020121)Research Fund for the Doctoral Program of Higher Education of China(No.20122125120013)the Fundamental Research Funds for the Central Universities,China(Nos.3132015087,3132014303)
文摘As a driving element,the spiral torsion spring can control the release velocity by the optimization design of spring parameters and be used for separation devices,which is conducive to unlocking synchronicity and low-shock of the separation. On the basis of analyzing the performance requirements of the spiral torsion spring in a spacecraft device,the optimization design model of the spiral torsion spring is given, which takes the spiral torsion spring's length,width and thickness as the optimization variables,and the minimum volume as the optimization objective. The model considers output torque,strength,the maximal resetting load,holding force,and low shock as constraint conditions. A case is given to analyze the proposed model. The analysis results show the optimization scheme decreases the volume of the spiral torsion spring and meets the performance requirements of the separation device.
基金Project(50876116)supported by the National Natural Science Foundation of China
文摘In order to acquire the flow pattern and investigate the settling behavior of the red mud in the separation thickener,computational fluid dynamics(CFD),custom subroutines and agglomerates settling theory were employed to simulate the three-dimensional flow field in an industrial scale thickener with the introduction of a self-dilute feed system.The simulation results show good agreement with the measurement onsite and the flow patterns of the thickener are presented and discussed on both velocity and concentration field.Optimization experiments on feed well and self-dilute system were also carried out,and indicate that the optimal thickener system can dilute the solid concentration in feed well from 110 g/L to 86 g/L which would help the agglomerates' formation and improve the red mud settling speed.Furthermore,the additional power of recirculation pump can be saved and flocculants dosage was reduced from 105g/t to 85g/t in the operation.
文摘This work provides an overview of distillation processes,including process design for different distillation processes,selection of entrainers for special distillation processes,system integration and intensification of distillation processes,optimization of process parameters for distillation processes and recent research progress in dynamic control strategies.Firstly,the feasibility of using thermodynamic topological theories such as residual curve,phase equilibrium line and distillation boundary line to analyze different separation regions is discussed,and the rationality of distillation process design is discussed by using its feasibility.Secondly,the application of molecular simulation methods such as molecular dynamics simulation and quantum chemical calculation in the screening of entrainer is discussed for the extractive distillation process.The thermal coupling mechanism of different distillation processes is used to explore the process of different process intensifications.Next,a mixed integer nonlinear optimization strategy for the distillation process based on different algorithms is introduced.Finally,the improvement of dynamic control strategies for different distillation processes in recent years is summarized.This work focuses on the application of process intensification and system optimization in the design of distillation process,and analyzes the challenges,prospects,and development trends of distillation technology in the separation of multicomponent azeotropes.
基金Supported by the National Natural Science Foundation of China (50736002,61072005)the Youth Backbone Teacher Project of University,Ministry of Education,China+1 种基金the Scientific Research Foundation of the Department of Science and Technology of Liaoning Province (20102082)the Changjiang Scholars and Innovative Team Development Plan (IRT0952)
文摘In order to overcome the disturbance of noise,this paper presented a method to measure two-phase flow velocity using particle swarm optimization algorithm,nonlinear blind source separation and cross correlation method.Because of the nonlinear relationship between the output signals of capacitance sensors and fluid in pipeline,nonlinear blind source separation is applied.In nonlinear blind source separation,the odd polynomials of higher order are used to fit the nonlinear transformation function,and the mutual information of separation signals is used as the evaluation function.Then the parameters of polynomial and linear separation matrix can be estimated by mutual information of separation signals and particle swarm optimization algorithm,thus the source signals can be separated from the mixed signals.The two-phase flow signals with noise which are obtained from upstream and downstream sensors are respectively processed by nonlinear blind source separation method so that the noise can be effectively removed.Therefore,based on these noise-suppressed signals,the distinct curves of cross correlation function and the transit times are obtained,and then the velocities of two-phase flow can be accurately calculated.Finally,the simulation experimental results are given.The results have proved that this method can meet the measurement requirements of two-phase flow velocity.
基金supported by National Natural Science Foundation of China(Nos.82174090,22176085,21874065,21577057)Natural Science Foundation for Colleges of Jiangsu(No.21KJA360007)+2 种基金Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)Jiangsu Qinglan ProjectJiangsu“333”Project。
文摘An algorithm capable of predicting and optimizing the gradient separation of LC×LC system was developed in this paper.Two groups of structural analogues,five ginsenosides as well as eight bisphenols,which were difficult to discriminate in routine analysis,were used to verify the effectiveness of the proposed algorithm in fast separation optimization.Average errors of retention times below 1%were found in the retention prediction for all types of gradient programs,implying that the theory could lead to high quality in prediction of the retention times under gradients elution.Meanwhile,84%of relative average deviations(RADs)between the predicted peak width and the measured ones were less than 20%.The larger deviation occurred at the time when the peak appeared while the gradient of the mobile phase changed,which led the deviations increased to 20%–42%.In all,method development and optimization for LC×LC tandem system was realized by the homemade user-friendly software.The present protocol may turn on great opportunities for the convenient method development in analysis of trace structural analogues in environmental,food and biological samples.
文摘In the realm of the synthesis of heat-integrated distillation configurations,the conventional approach for exploring more heat integration possibilities typically entails the splitting of a single column into a twocolumn configuration.However,this approach frequently necessitates tedious enumeration procedures,resulting in a considerable computational burden.To surmount this formidable challenge,the present study introduces an innovative remedy:The proposition of a superstructure that encompasses both single-column and multiple two-column configurations.Additionally,a simultaneous optimization algorithm is applied to optimize both the process parameters and heat integration structures of the twocolumn configurations.The effectiveness of this approach is demonstrated through a case study focusing on industrial organosilicon separation.The results underscore that the superstructure methodology not only substantially mitigates computational time compared to exhaustive enumeration but also furnishes solutions that exhibit comparable performance.
基金Supported by the National Natural Science Foundation of China(52275032)the Natural Science Foundation of Hebei Province(E2022203077)+1 种基金the Hebei Provincial Science and Technology Plan(22371801D)the Hebei Provincial Science and Technology Research and Development Program-Central Guidance for Local Science and Technology Development Fund(246Z1818G).
文摘Pointing mechanism is widely used in aerospace field,and its pointing accuracy and stability have high requirements.The pointing mechanism will be affected by external interference when it works.In order to eliminate the impact of interference forces on the output accuracy of the mechanism,firstly,this paper proposes a design method for highprecision pointing mechanisms based on interference separation,aiming at the high-precision pointing requirements of pointing mechanisms.Based on the screw theory,a synthesis method for inner compensation mechanisms has been proposed.And a new type of double-layer parallel mechanism has been designed to compensate for interference forces.Then,the kinematics and dynamics of the mechanism are carried out.An evaluation index for compensating external interference forces is proposed.The interference compensation analysis is conducted for the pointing mechanism.The correctness of the proposed interference force compensation coefficient is verified.Finally,in order to find the optimal solution for the workspace and interference force compensation coefficient of the pointing mechanism,multi-objective optimization design of the structural parameters of the mechanism was carried out based on the particle swarm optimization algorithm.This provides a theoretical basis for the prototype design of the subsequent double-layer parallel mechanism.This double-layer parallel mechanism combines the advantages of large load-bearing capacity,large workspace,and high output accuracy.It can be better applied in the aerospace field where high-precision pointing and force interference compensation are integrated.
