Designing novel nonfullerene acceptors(NFAs)is of vital importance for the development of organic solar cells(OSC).Modification on the side chain and end group are two powerful tools to construct efficient NFAs.Here,b...Designing novel nonfullerene acceptors(NFAs)is of vital importance for the development of organic solar cells(OSC).Modification on the side chain and end group are two powerful tools to construct efficient NFAs.Here,based on the high-performance L8BO,we selected 3-ethylheptyl to substitute the inner chain of 2-ethylhexyl,obtaining the backbone of BON3.Then we introduced different halogen atoms of fluorine and chlorine on 2-(3-oxo-2,3-dihydro-1Hinden-1-ylidene)malononitrile end group(EG)to construct efficient NFAs named BON3-F and BON3-Cl,respectively.Polymer donor D18 was chosen to combine with two novel NFAs to construct OSC devices.Impressively,D18:BON3-Cl-based device shows a remarkable power conversion efficiency(PCE)of 18.57%,with a high open-circuit voltage(V_(OC))of 0.907 V and an excellent fill factor(FF)of 80.44%,which is one of the highest binary PCE of devices based on D18 as the donor.However,BON3-F-based device shows a relatively lower PCE of 17.79%with a decreased FF of 79.05%.The better photovoltaic performance is mainly attributed to the red-shifted absorption,higher electron and hole mobilities,reduced charge recombination,and enhanced molecular packing in the D18:BON3-Cl films.Also,we performed stability tests on two binary systems;the D18:BON3-Cl and D18:BON3-F devices maintain 88.1%and 85.5%of their initial efficiencies after 169 h of storage at 85°C in an N2-filled glove box,respectively.Our work demonstrates the importance of selecting halogen atoms on EG and provides an efficient binary system of D18:BON3-Cl for further improvement of PCE.展开更多
Fixed-bed reactors are generally considered the optimal choice for numerous multi-phase catalytic reactions due to their excellent performance and stability.However,conventional fixed beds often encounter challenges r...Fixed-bed reactors are generally considered the optimal choice for numerous multi-phase catalytic reactions due to their excellent performance and stability.However,conventional fixed beds often encounter challenges related to inadequate mass transfer and a high pressure drop caused by the non-uniform void fraction distribution.To enhance the overall performance of fixed beds,the impact of different packing configurations on performance was investigated.Experimental and simulation methods were used to investigate the fluid flow and mass transfer performances of various packed beds under different flow rates.It was found that structured beds exhibited a significantly lower pressure drop per unit length than conventional packed beds.Furthermore,the packing configurations had a critical role in improving the overall performance of fixed beds.Specifically,structured packed beds,particularly the H-2 packing configuration,effectively reduced the pressure drop per unit length and improved the mass transfer efficiency.The H-2 packing configuration consisted of two parallel strips of particles in each layer,with strips arranged perpendicularly between adjacent layers,and the spacing between the strips varied from layer to layer.展开更多
The emergence of Y6-type nonfullerene acceptors has greatly enhanced the power conversion efficiency(PCE)of organic solar cells(OSCs).However,which structural feature is responsible for the excellent photovoltaic perf...The emergence of Y6-type nonfullerene acceptors has greatly enhanced the power conversion efficiency(PCE)of organic solar cells(OSCs).However,which structural feature is responsible for the excellent photovoltaic performance is still under debate.In this study,two Y6-like acceptors BDOTP-1 and BDOTP-2 were designed.Different from previous Y6-type acceptors featuring an A–D–Aʹ–D–A structure,BDOTP-1,and BDOTP-2 have no electron-deficient Aʹfragment in the core unit.Instead,there is an electron-rich dibenzodioxine fragment in the core.Although this modification leads to a marked change in the molecular dipole moment,electrostatic potential,frontier orbitals,and energy levels,BDOTP acceptors retain similar three-dimensional packing capability as Y6-type acceptors due to the similar banana-shaped molecular configuration.BDOTP acceptors show good performance in OSCs.High PCEs of up to 18.51%(certified 17.9%)are achieved.This study suggests that the banana-shaped configuration instead of the A–D–Aʹ–D–A structure is likely to be the determining factor in realizing high photovoltaic performance.展开更多
Packed columns are widely used in the chemical industry such as absorption,stripping,distillation,and extraction in the production of e.g.organic chemicals,and pharmaceuticals.Pressure loss and pressure drop correlati...Packed columns are widely used in the chemical industry such as absorption,stripping,distillation,and extraction in the production of e.g.organic chemicals,and pharmaceuticals.Pressure loss and pressure drop correlations are of special interest when it comes to the hydrodynamic properties of a column.The pressure loss across the column is of interest in the design phase when the size of the blower to drive the gas stream through the column has to be decided.The loading point and flooding point are also influenced by the pressure loss and the area of operation is determined from these points.This work examines four different correlations on pressure drop.The correlations are(i)Ergun’s equation(1952),(ii)an improved version of Ergun’s equation by Stichlmair,Bravo,and Fair(1989),(iii)an equation developed by Billet and Schultes(1999),and(iv)an equation by Rocha,Bravo,and Fair(1993).The complexity of the correlations is increasing in the mentioned order,Ergun’s equation being the simplest one.This study investigates if the more complicated correlations give better predictions to pressure drop in packed columns.This is determined by comparing the correlations to experimental data for pressure drop in a packed column with 8.2 m of structured packing using water as the liquid and atmospheric air as the gas.Seven experiments were carried out for determining the pressure drop in the column with liquid flows varying from 0 to 500 kg·h^(-1).At constant liquid flow,the gas flow was varied from approximately 10 to 70 kg·h^(-1).The pressure drop across the non-wetted column was best described by the correlation by Rocha et al.while the pressure drop for liquid flows from 100 to 500 kg·h^(-1)was,in general,best described by Stichlmair’s equation.For an irrigated column,the highest deviation was a predicted pressure drop 69.6%lower than measured.The best prediction was 0.1%higher than the measured.This study shows,surprisingly,that for a system of water and atmospheric air,complicated correlations on pressure drop determination do not provide better estimates than simple equations.展开更多
Let(X,φ) be a nonautonomous dynamical system.In this paper,we introduce the notions of packing topological entropy and measure-theoretical upper entropy for nonautonomous dynamical systems.Moreover,we establish the v...Let(X,φ) be a nonautonomous dynamical system.In this paper,we introduce the notions of packing topological entropy and measure-theoretical upper entropy for nonautonomous dynamical systems.Moreover,we establish the variational principle between the packing topological entropy and the measure-theoretical upper entropy.展开更多
The catalytic packing is the core component of the catalytic distillation,and how the catalyst exists in the packing has significant influence on the process.To investigate the effect of catalyst packings on the catal...The catalytic packing is the core component of the catalytic distillation,and how the catalyst exists in the packing has significant influence on the process.To investigate the effect of catalyst packings on the catalytic distillation process,the classical ethyl acetate reactive distillation system was utilized,and a supported catalytic packing(SCP)was prepared in comparison with the conventional tea-bag catalytic packing(TBP).Laboratory scale experiments showed that the ethyl acetate conversion of the SCP was superior to the TBP at a low catalyst loading.The effects of reaction kinetics,mass transfer performance and actual catalytic efficiency of the packings on this process were regarded as reasons and studied by combining the experiments and numerical simulation.Results suggested that the relatively immediate“in-situ separation”caused by the rapid reaction kinetics and better mass transfer performance of SCP may be a main reason for the difference of the conversion.展开更多
The online 3D packing problem has received increasing attention in recent years due to its practical value. However, the problem itself possesses some peculiar properties, such as sequential decision-making and the la...The online 3D packing problem has received increasing attention in recent years due to its practical value. However, the problem itself possesses some peculiar properties, such as sequential decision-making and the large size of the state space, which have made the use of reinforcement learning with Markov decision processes a popular approach for solving this problem. In this paper, we focus on the problem of high variance in value estimation caused by reward uncertainty in the presence of highly uncertain dynamics. To address this, proposed a solution based on auxiliary tasks and intrinsic rewards for the online 3D bin packing problem, guided by a binary-valued network, to assist the agent in learning the policy within the framework of actor-critic deep reinforcement learning. Specifically, the maintenance of two-valued networks and the utilization of multi-valued network estimates are employed to replace the original value estimates, aiming to provide better guidance for the learning of policy networks. Experimentally, it has been demonstrated that our model can achieve more robust learning and outperform previous works in terms of performance.展开更多
Many studies on how the particle shape affects the discharge flow mainly focus on discharge rates and avalanche statistics. In this study, the effect of the particle shape on the packing fraction and velocities of par...Many studies on how the particle shape affects the discharge flow mainly focus on discharge rates and avalanche statistics. In this study, the effect of the particle shape on the packing fraction and velocities of particles in the silo discharge flow are investigated by using the discrete element method. The time-averaged packing fraction and velocity profiles through the aperture are systematically measured for superelliptical particles with different blockinesses. Increasing the particle blockiness is found to increase resistance to flow and reduce the flow rate. At an identical outlet size, larger particle blockiness leads to lower velocity and packing fraction at the outlet. The packing fraction profiles display evidently the self-similar feature that can be appropriately adjusted by fractional power law. The velocity profiles for particles with different shapes obey a uniform self-similar law that is in accord with previous experimental results, which is compatible with the hypothesis of free fall arch. To further investigate the origin of flow behaviors, the packing fraction and velocity field in the region above the orifice are computed. Based on these observations, the flow rate of superelliptical particles is calculated and in agreement with the simulated data.展开更多
A method for packing irregular particles with a prescribed volume fraction is proposed.Furthermore,the generated granular material adheres to the prescribed statistical distribution and satisfies the desired complex s...A method for packing irregular particles with a prescribed volume fraction is proposed.Furthermore,the generated granular material adheres to the prescribed statistical distribution and satisfies the desired complex spatial arrangement.First,the irregular geometries of the realistic particles were obtained from the original particle images.Second,the Minkowski sum was used to check the overlap between irregular particles and place an irregular particle in contact with other particles.Third,the optimised advance front method(OAFM)generated irregular particle packing with the prescribed statistical dis-tribution and volume fraction based on the Minkowski sum.Moreover,the signed distance function was introduced to pack the particles in accordance with the desired spatial arrangement.Finally,seven biaxial tests were performed using the UDEC software,which demonstrated the accuracy and potential usefulness of the proposed method.It can model granular material efficiently and reflect the meso-structural characteristics of complex granular materials.This method has a wide range of applications where discrete modelling of granular media is necessary.展开更多
基金supported by the National Natural Science Foundation of China(No.U21A20331)the National Science Fund for Distinguished Young Scholars(No.21925506)+3 种基金Zhejiang Provincial Natural Science Foundation of China(No.LQ22E030013)Ningbo Key Scientific and Technological Project(2022Z117)Ningbo Public Welfare Science and Technology Planning Project(2021S149)ZBTI Scientific Research Innovation Team(KYTD202105).
文摘Designing novel nonfullerene acceptors(NFAs)is of vital importance for the development of organic solar cells(OSC).Modification on the side chain and end group are two powerful tools to construct efficient NFAs.Here,based on the high-performance L8BO,we selected 3-ethylheptyl to substitute the inner chain of 2-ethylhexyl,obtaining the backbone of BON3.Then we introduced different halogen atoms of fluorine and chlorine on 2-(3-oxo-2,3-dihydro-1Hinden-1-ylidene)malononitrile end group(EG)to construct efficient NFAs named BON3-F and BON3-Cl,respectively.Polymer donor D18 was chosen to combine with two novel NFAs to construct OSC devices.Impressively,D18:BON3-Cl-based device shows a remarkable power conversion efficiency(PCE)of 18.57%,with a high open-circuit voltage(V_(OC))of 0.907 V and an excellent fill factor(FF)of 80.44%,which is one of the highest binary PCE of devices based on D18 as the donor.However,BON3-F-based device shows a relatively lower PCE of 17.79%with a decreased FF of 79.05%.The better photovoltaic performance is mainly attributed to the red-shifted absorption,higher electron and hole mobilities,reduced charge recombination,and enhanced molecular packing in the D18:BON3-Cl films.Also,we performed stability tests on two binary systems;the D18:BON3-Cl and D18:BON3-F devices maintain 88.1%and 85.5%of their initial efficiencies after 169 h of storage at 85°C in an N2-filled glove box,respectively.Our work demonstrates the importance of selecting halogen atoms on EG and provides an efficient binary system of D18:BON3-Cl for further improvement of PCE.
文摘Fixed-bed reactors are generally considered the optimal choice for numerous multi-phase catalytic reactions due to their excellent performance and stability.However,conventional fixed beds often encounter challenges related to inadequate mass transfer and a high pressure drop caused by the non-uniform void fraction distribution.To enhance the overall performance of fixed beds,the impact of different packing configurations on performance was investigated.Experimental and simulation methods were used to investigate the fluid flow and mass transfer performances of various packed beds under different flow rates.It was found that structured beds exhibited a significantly lower pressure drop per unit length than conventional packed beds.Furthermore,the packing configurations had a critical role in improving the overall performance of fixed beds.Specifically,structured packed beds,particularly the H-2 packing configuration,effectively reduced the pressure drop per unit length and improved the mass transfer efficiency.The H-2 packing configuration consisted of two parallel strips of particles in each layer,with strips arranged perpendicularly between adjacent layers,and the spacing between the strips varied from layer to layer.
基金the open research fund of the Songshan Lake Materials Laboratory(2021SLABFK02)the National Key Research and Development Program of China(2017YFA0206600)the National Natural Science Foundation of China(51922032 and 21961160720).
文摘The emergence of Y6-type nonfullerene acceptors has greatly enhanced the power conversion efficiency(PCE)of organic solar cells(OSCs).However,which structural feature is responsible for the excellent photovoltaic performance is still under debate.In this study,two Y6-like acceptors BDOTP-1 and BDOTP-2 were designed.Different from previous Y6-type acceptors featuring an A–D–Aʹ–D–A structure,BDOTP-1,and BDOTP-2 have no electron-deficient Aʹfragment in the core unit.Instead,there is an electron-rich dibenzodioxine fragment in the core.Although this modification leads to a marked change in the molecular dipole moment,electrostatic potential,frontier orbitals,and energy levels,BDOTP acceptors retain similar three-dimensional packing capability as Y6-type acceptors due to the similar banana-shaped molecular configuration.BDOTP acceptors show good performance in OSCs.High PCEs of up to 18.51%(certified 17.9%)are achieved.This study suggests that the banana-shaped configuration instead of the A–D–Aʹ–D–A structure is likely to be the determining factor in realizing high photovoltaic performance.
基金the BioCO_(2) project(the Danish government through the EUDP agency No.64016-0082)the INTERACT project(European Union Seventh Framework Programme FP7/2007-2013 under grant agreement No.608535)the financial support from the Center for Energy Resources Engineering(CERE),and the Technical University of Denmark.
文摘Packed columns are widely used in the chemical industry such as absorption,stripping,distillation,and extraction in the production of e.g.organic chemicals,and pharmaceuticals.Pressure loss and pressure drop correlations are of special interest when it comes to the hydrodynamic properties of a column.The pressure loss across the column is of interest in the design phase when the size of the blower to drive the gas stream through the column has to be decided.The loading point and flooding point are also influenced by the pressure loss and the area of operation is determined from these points.This work examines four different correlations on pressure drop.The correlations are(i)Ergun’s equation(1952),(ii)an improved version of Ergun’s equation by Stichlmair,Bravo,and Fair(1989),(iii)an equation developed by Billet and Schultes(1999),and(iv)an equation by Rocha,Bravo,and Fair(1993).The complexity of the correlations is increasing in the mentioned order,Ergun’s equation being the simplest one.This study investigates if the more complicated correlations give better predictions to pressure drop in packed columns.This is determined by comparing the correlations to experimental data for pressure drop in a packed column with 8.2 m of structured packing using water as the liquid and atmospheric air as the gas.Seven experiments were carried out for determining the pressure drop in the column with liquid flows varying from 0 to 500 kg·h^(-1).At constant liquid flow,the gas flow was varied from approximately 10 to 70 kg·h^(-1).The pressure drop across the non-wetted column was best described by the correlation by Rocha et al.while the pressure drop for liquid flows from 100 to 500 kg·h^(-1)was,in general,best described by Stichlmair’s equation.For an irrigated column,the highest deviation was a predicted pressure drop 69.6%lower than measured.The best prediction was 0.1%higher than the measured.This study shows,surprisingly,that for a system of water and atmospheric air,complicated correlations on pressure drop determination do not provide better estimates than simple equations.
基金the National Natural Science Foundation of China (11871188, 12031019)。
文摘Let(X,φ) be a nonautonomous dynamical system.In this paper,we introduce the notions of packing topological entropy and measure-theoretical upper entropy for nonautonomous dynamical systems.Moreover,we establish the variational principle between the packing topological entropy and the measure-theoretical upper entropy.
基金support provided by National Natural Science Foundation of China(21978243).
文摘The catalytic packing is the core component of the catalytic distillation,and how the catalyst exists in the packing has significant influence on the process.To investigate the effect of catalyst packings on the catalytic distillation process,the classical ethyl acetate reactive distillation system was utilized,and a supported catalytic packing(SCP)was prepared in comparison with the conventional tea-bag catalytic packing(TBP).Laboratory scale experiments showed that the ethyl acetate conversion of the SCP was superior to the TBP at a low catalyst loading.The effects of reaction kinetics,mass transfer performance and actual catalytic efficiency of the packings on this process were regarded as reasons and studied by combining the experiments and numerical simulation.Results suggested that the relatively immediate“in-situ separation”caused by the rapid reaction kinetics and better mass transfer performance of SCP may be a main reason for the difference of the conversion.
文摘The online 3D packing problem has received increasing attention in recent years due to its practical value. However, the problem itself possesses some peculiar properties, such as sequential decision-making and the large size of the state space, which have made the use of reinforcement learning with Markov decision processes a popular approach for solving this problem. In this paper, we focus on the problem of high variance in value estimation caused by reward uncertainty in the presence of highly uncertain dynamics. To address this, proposed a solution based on auxiliary tasks and intrinsic rewards for the online 3D bin packing problem, guided by a binary-valued network, to assist the agent in learning the policy within the framework of actor-critic deep reinforcement learning. Specifically, the maintenance of two-valued networks and the utilization of multi-valued network estimates are employed to replace the original value estimates, aiming to provide better guidance for the learning of policy networks. Experimentally, it has been demonstrated that our model can achieve more robust learning and outperform previous works in terms of performance.
基金Project supported by the Science and Technology Program of Guizhou Province, China (Grant No. [2018]1048)。
文摘Many studies on how the particle shape affects the discharge flow mainly focus on discharge rates and avalanche statistics. In this study, the effect of the particle shape on the packing fraction and velocities of particles in the silo discharge flow are investigated by using the discrete element method. The time-averaged packing fraction and velocity profiles through the aperture are systematically measured for superelliptical particles with different blockinesses. Increasing the particle blockiness is found to increase resistance to flow and reduce the flow rate. At an identical outlet size, larger particle blockiness leads to lower velocity and packing fraction at the outlet. The packing fraction profiles display evidently the self-similar feature that can be appropriately adjusted by fractional power law. The velocity profiles for particles with different shapes obey a uniform self-similar law that is in accord with previous experimental results, which is compatible with the hypothesis of free fall arch. To further investigate the origin of flow behaviors, the packing fraction and velocity field in the region above the orifice are computed. Based on these observations, the flow rate of superelliptical particles is calculated and in agreement with the simulated data.
基金The authors would like to acknowledge the financial support provided by the National Key R&D Program of China(Grant No.2018YFC1504802)the National Natural Science Foundation of China(Grant Nos.41972266,12102230).
文摘A method for packing irregular particles with a prescribed volume fraction is proposed.Furthermore,the generated granular material adheres to the prescribed statistical distribution and satisfies the desired complex spatial arrangement.First,the irregular geometries of the realistic particles were obtained from the original particle images.Second,the Minkowski sum was used to check the overlap between irregular particles and place an irregular particle in contact with other particles.Third,the optimised advance front method(OAFM)generated irregular particle packing with the prescribed statistical dis-tribution and volume fraction based on the Minkowski sum.Moreover,the signed distance function was introduced to pack the particles in accordance with the desired spatial arrangement.Finally,seven biaxial tests were performed using the UDEC software,which demonstrated the accuracy and potential usefulness of the proposed method.It can model granular material efficiently and reflect the meso-structural characteristics of complex granular materials.This method has a wide range of applications where discrete modelling of granular media is necessary.
