To obtain materials capable of efficiently separating acetylene(C_(2)H_(2))from carbon dioxide(CO_(2))and eth-ylene(C_(2)H_(4)),In this work,based on the pore space partition strategy,a pacs-metal-organic framework(MO...To obtain materials capable of efficiently separating acetylene(C_(2)H_(2))from carbon dioxide(CO_(2))and eth-ylene(C_(2)H_(4)),In this work,based on the pore space partition strategy,a pacs-metal-organic framework(MOF):(NH_(2)Me_(2))_(2)[Fe_(3)(μ_(3)-O)(bdc)_(3)][In(FA)_(3)Cl_(3)](Fe‑FAIn‑bdc)was synthesized successfully by using the metal-formate com-plex[In(FA)_(3)Cl_(3)]^(3-)as the pore partition units,where bdc^(2-)=terephthalate,FA-=formate.Owing to the pore partition effect of this metal-organic building block,fruitful confined spaces are formed in the network of Fe‑FAIn‑bdc,endowing this MOF with superior separation performance of acetylene and carbon dioxide.According to the adsorp-tion test,this MOF exhibited a high adsorption capacity for C_(2)H_(2)(50.79 cm^(3)·g^(-1))at 298 K and 100 kPa,which was much higher than that for CO_(2)(29.99 cm^(3)·g^(-1))and C_(2)H_(4)(30.94 cm^(3)·g^(-1))under the same conditions.Ideal adsorbed solution theory(IAST)calculations demonstrate that the adsorption selectivity of Fe‑FAIn‑bdc for the mixture of C_(2)H_(2)/CO_(2)and C_(2)H_(2)/C_(2)H_(4)in a volume ratio of 50∶50 was 3.08 and 3.65,respectively,which was higher than some reported MOFs such as NUM-11 and SNNU-18.CCDC:_(2)453954.展开更多
The multifunctional integration system(MFIS)is based on a common hardware platform that controls and regulates the system’s configurable parameters through software to meet dif-ferent operational requirements.Dwell s...The multifunctional integration system(MFIS)is based on a common hardware platform that controls and regulates the system’s configurable parameters through software to meet dif-ferent operational requirements.Dwell scheduling is a key for the system to realize multifunction and maximize the resource uti-lization.In this paper,an adaptive dwell scheduling optimization model for MFIS which considers the aperture partition and joint radar communication(JRC)waveform is established.To solve the formulated optimization problem,JRC scheduling condi-tions are proposed,including time overlapping condition,beam direction condition and aperture condition.Meanwhile,an effec-tive mechanism to dynamically occupy and release the aperture resource is introduced,where the time-pointer will slide to the earliest ending time of all currently scheduled tasks so that the occupied aperture resource can be released timely.Based on them,an adaptive dwell scheduling algorithm for MFIS with aperture partition and JRC waveform is put forward.Simulation results demonstrate that the proposed algorithm has better com-prehensive scheduling performance than up-to-date algorithms in all considered metrics.展开更多
The purpose of this study was to develop a quantitative structure–property relationship(QSPR) model based on the enhanced replacement method(ERM) and support vector machine(SVM) to predict the blood-to-brain barrier ...The purpose of this study was to develop a quantitative structure–property relationship(QSPR) model based on the enhanced replacement method(ERM) and support vector machine(SVM) to predict the blood-to-brain barrier partitioning behavior(log BB) of various drugs and organic compounds. Different molecular descriptors were calculated using a dragon package to represent the molecular structures of the compounds studied. The enhanced replacement method(ERM) was used to select the variables and construct the SVM model. The correlation coefficient, R^2, between experimental results and predicted log BB was 0.878 and 0.986, respectively. The results obtained demonstrated that, for all compounds, the log BB values estimated by SVM agreed with the experimental data, demonstrating that SVM is an effective method for model development, and can be used as a powerful chemometric tool in QSPR studies.展开更多
The size of bubbles created in the flotation process is of great importance to the efficiency of the mineral separation achieved.Meanwhile,it is believed that frother transport between phases is perhaps the most impor...The size of bubbles created in the flotation process is of great importance to the efficiency of the mineral separation achieved.Meanwhile,it is believed that frother transport between phases is perhaps the most important reason for the interactive nature of the phenomena occurring in the bulk and froth phases in flotation,as frother adsorbed in the surface of rising bubbles is removed from the bulk phase and then released into the froth as a fraction of the bubbles burst.This causes the increased concentration in the froth compared to the bulk concentration,named as frother partitioning.Partitioning reflects the adsorption of frother on bubbles and how to influence bubble size is not known.There currently exists no such a topic aiming to link these two key parameters.To fill this vacancy,the correspondence between bubble size and frother partitioning was examined.Bubble size was measured by sampling-for-imaging(SFI)technique.Using total organic carbon(TOC)analysis to measure the frother partitioning between froth and bulk phases was determined.Measurements have shown,with no exceptions including four different frothers,higher frother concentration is in the bulk than in the froth.The results also show strong partitioning giving an increase in bubble size which implies there is a compelling relationship between these two,represented by CFroth/CBulk and D32.The CFroth/CBulkand D32 curves show similar exponential decay relationships as a function of added frother in the system,strongly suggesting that the frother concentration gradient between the bulk solution and the bubble interface is the driving force contributing to bubble size reduction.展开更多
The space partitioning algorithm based on the rounding and addressing operations has been proved to be an efficient space partitioning algorithm with the potential for real-time calculation.An improvement on this kind...The space partitioning algorithm based on the rounding and addressing operations has been proved to be an efficient space partitioning algorithm with the potential for real-time calculation.An improvement on this kind of space partitioning algorithms for solving complex 3D models is presented.Numerical examples show that the efficiency of the improved algorithm is better than that of the original method.When the size of most target elements is smaller than the size of spatial grids,the efficiency of the improved method can be more than four times of that of the original method.An adaptive method of space partitioning based on the improved algorithm is developed by taking the surface element density or the curvature as the threshold for deep partitioning and conducting the deep partitioning using the octree method.A computer program implementation for applying the method in some typical applications is discussed,and the performance in terms of the efficiency,reliability,and resource use is evaluated.Application testing shows that the results of the adaptive spacing partitioning are more convenient for the follow-up use than that of the basic uniform space partitioning.Furthermore,when it is used to calculate the electromagnetic scattering of complex targets by the ray tracing(RT)method,the adaptive space partitioning algorithm can reduce the calculation time of the RT process by more than 40%compared with the uniform space segmentation algorithm.展开更多
Background:Photosynthate partitioning and within-plant boll distribution play an important role in yield formation of cotton;however,if and how they interact to mediate yield remains unclear.The objective of this stud...Background:Photosynthate partitioning and within-plant boll distribution play an important role in yield formation of cotton;however,if and how they interact to mediate yield remains unclear.The objective of this study was to investigate the genotypic variance in photosynthate partitioning and within-plant boll distribution,with a focus on their interactions with regard to yield and yield components.A field experiment was conducted in the Yellow River region in China in 2017 and 2018 using a randomized complete block design with three replicates.Photosynthate partitioning of three commercial cultivars(DP 99 B,Lumianyan 21 and Jimian 169),varying in yield potential,to different organs(including bolls)at early flowering,peak flowering,and peak boll-setting stages,as well as withinplant boll distribution at harvest,and their effects on yield formation were examined.Results:Lint yield of Jimian 169 was the highest,followed by Lumianyan 21 and DP 99 B.Similar differences were observed in the number of inner bolls and boll weight among the three cultivars.J169 partitioned significantly more photosynthate to the fruit and fiber than Lumianyan 21 and DP 99 B and allocated over 80%of assimilates to the inner bolls.Additionally,Lumianyan 21 allocated a higher proportion of photosynthate to bolls and fiber,with12.5%–17.6%more assimilates observed in the inner bolls,than DP 99 B.Conclusions:Genotypic variance in lint yield can be attributed to differences in the number of inner bolls and boll weight,which are affected by photosynthate partitioning.Therefore,the partitioning of photosynthate to fiber and inner bolls can be used as an important reference for cotton breeding and cultivation.展开更多
In this study, we show how to generalize Hirshfeld partitioning methods to possibly include non-spherical proatom densities. While this generalization is numerically challenging(requiring global optimization of a larg...In this study, we show how to generalize Hirshfeld partitioning methods to possibly include non-spherical proatom densities. While this generalization is numerically challenging(requiring global optimization of a large number of parameters), it is conceptually appealing because it allows the proatoms to be pre-polarized, or even promoted, to a state that more closely resembles the atom in a molecule. This method is based on first characterizing the convex set of proatom densities associated with the degenerate ground states of isolated atoms and atomic ions. The preferred orientation of the proatoms' densities are then obtained by minimizing the information–theoretic distance between the promolecular and molecular densities. If contributions from excited states(and not just degenerate ground states) are included in the convex set, this method can describe promoted atoms. While the procedure is intractable in general, if one includes only atomic states that have differing electron-numbers and/or spins, the variational principle becomes a simple convex optimization with a single unique solution.展开更多
针对特高压接入的输电网网架错综复杂、远景适应性差,甚至出现网架规划与开环分区决策相互独立导致资源浪费等问题,该文引入奇异值分解(singular value decomposition,SVD)和特征索引技术,提出了一种考虑电磁环网开环分区和500/220kV典...针对特高压接入的输电网网架错综复杂、远景适应性差,甚至出现网架规划与开环分区决策相互独立导致资源浪费等问题,该文引入奇异值分解(singular value decomposition,SVD)和特征索引技术,提出了一种考虑电磁环网开环分区和500/220kV典型供电结构的输电网多阶段规划方法。首先,提取典型供电结构的路径特征,制定了一种基于标签路径特征的典型供电结构索引策略;然后,构建了一种基于SVD的典型供电结构相似度指标,基于此,以全局典型供电结构相似程度最大为目标,建立了相似度识别规划模型;最后,提出了一种反馈调节机制及求解方法,统筹协调各阶段网架规划和开环分区之间的决策信息。与传统规划方法相比,该文方法不仅能够避免不同阶段开环分区决策导致的资源浪费,还可以减少复杂的规划评估指标计算,构建供电可靠性高、运行方式灵活、远景适应性强的网架结构。基于湖南某地区实际电网算例验证了该文方法的准确性和有效性。展开更多
文摘To obtain materials capable of efficiently separating acetylene(C_(2)H_(2))from carbon dioxide(CO_(2))and eth-ylene(C_(2)H_(4)),In this work,based on the pore space partition strategy,a pacs-metal-organic framework(MOF):(NH_(2)Me_(2))_(2)[Fe_(3)(μ_(3)-O)(bdc)_(3)][In(FA)_(3)Cl_(3)](Fe‑FAIn‑bdc)was synthesized successfully by using the metal-formate com-plex[In(FA)_(3)Cl_(3)]^(3-)as the pore partition units,where bdc^(2-)=terephthalate,FA-=formate.Owing to the pore partition effect of this metal-organic building block,fruitful confined spaces are formed in the network of Fe‑FAIn‑bdc,endowing this MOF with superior separation performance of acetylene and carbon dioxide.According to the adsorp-tion test,this MOF exhibited a high adsorption capacity for C_(2)H_(2)(50.79 cm^(3)·g^(-1))at 298 K and 100 kPa,which was much higher than that for CO_(2)(29.99 cm^(3)·g^(-1))and C_(2)H_(4)(30.94 cm^(3)·g^(-1))under the same conditions.Ideal adsorbed solution theory(IAST)calculations demonstrate that the adsorption selectivity of Fe‑FAIn‑bdc for the mixture of C_(2)H_(2)/CO_(2)and C_(2)H_(2)/C_(2)H_(4)in a volume ratio of 50∶50 was 3.08 and 3.65,respectively,which was higher than some reported MOFs such as NUM-11 and SNNU-18.CCDC:_(2)453954.
基金supported by the National Natural Science Foundation of China(6203100762371093).
文摘The multifunctional integration system(MFIS)is based on a common hardware platform that controls and regulates the system’s configurable parameters through software to meet dif-ferent operational requirements.Dwell scheduling is a key for the system to realize multifunction and maximize the resource uti-lization.In this paper,an adaptive dwell scheduling optimization model for MFIS which considers the aperture partition and joint radar communication(JRC)waveform is established.To solve the formulated optimization problem,JRC scheduling condi-tions are proposed,including time overlapping condition,beam direction condition and aperture condition.Meanwhile,an effec-tive mechanism to dynamically occupy and release the aperture resource is introduced,where the time-pointer will slide to the earliest ending time of all currently scheduled tasks so that the occupied aperture resource can be released timely.Based on them,an adaptive dwell scheduling algorithm for MFIS with aperture partition and JRC waveform is put forward.Simulation results demonstrate that the proposed algorithm has better com-prehensive scheduling performance than up-to-date algorithms in all considered metrics.
文摘The purpose of this study was to develop a quantitative structure–property relationship(QSPR) model based on the enhanced replacement method(ERM) and support vector machine(SVM) to predict the blood-to-brain barrier partitioning behavior(log BB) of various drugs and organic compounds. Different molecular descriptors were calculated using a dragon package to represent the molecular structures of the compounds studied. The enhanced replacement method(ERM) was used to select the variables and construct the SVM model. The correlation coefficient, R^2, between experimental results and predicted log BB was 0.878 and 0.986, respectively. The results obtained demonstrated that, for all compounds, the log BB values estimated by SVM agreed with the experimental data, demonstrating that SVM is an effective method for model development, and can be used as a powerful chemometric tool in QSPR studies.
基金Project supported by the Collaborative Research and Development Program of Natural Sciences and Engineering Research Council of Canada
文摘The size of bubbles created in the flotation process is of great importance to the efficiency of the mineral separation achieved.Meanwhile,it is believed that frother transport between phases is perhaps the most important reason for the interactive nature of the phenomena occurring in the bulk and froth phases in flotation,as frother adsorbed in the surface of rising bubbles is removed from the bulk phase and then released into the froth as a fraction of the bubbles burst.This causes the increased concentration in the froth compared to the bulk concentration,named as frother partitioning.Partitioning reflects the adsorption of frother on bubbles and how to influence bubble size is not known.There currently exists no such a topic aiming to link these two key parameters.To fill this vacancy,the correspondence between bubble size and frother partitioning was examined.Bubble size was measured by sampling-for-imaging(SFI)technique.Using total organic carbon(TOC)analysis to measure the frother partitioning between froth and bulk phases was determined.Measurements have shown,with no exceptions including four different frothers,higher frother concentration is in the bulk than in the froth.The results also show strong partitioning giving an increase in bubble size which implies there is a compelling relationship between these two,represented by CFroth/CBulk and D32.The CFroth/CBulkand D32 curves show similar exponential decay relationships as a function of added frother in the system,strongly suggesting that the frother concentration gradient between the bulk solution and the bubble interface is the driving force contributing to bubble size reduction.
基金This work was supported by the National Natural Science Foundation of China(61601015,91538204).
文摘The space partitioning algorithm based on the rounding and addressing operations has been proved to be an efficient space partitioning algorithm with the potential for real-time calculation.An improvement on this kind of space partitioning algorithms for solving complex 3D models is presented.Numerical examples show that the efficiency of the improved algorithm is better than that of the original method.When the size of most target elements is smaller than the size of spatial grids,the efficiency of the improved method can be more than four times of that of the original method.An adaptive method of space partitioning based on the improved algorithm is developed by taking the surface element density or the curvature as the threshold for deep partitioning and conducting the deep partitioning using the octree method.A computer program implementation for applying the method in some typical applications is discussed,and the performance in terms of the efficiency,reliability,and resource use is evaluated.Application testing shows that the results of the adaptive spacing partitioning are more convenient for the follow-up use than that of the basic uniform space partitioning.Furthermore,when it is used to calculate the electromagnetic scattering of complex targets by the ray tracing(RT)method,the adaptive space partitioning algorithm can reduce the calculation time of the RT process by more than 40%compared with the uniform space segmentation algorithm.
基金supported by the Modern Agro-industry Technology Research System,China(SDAIT-03-03/05)the Natural Science Foundation of China(31601253)the Natural Science Foundation of Shandong Province,China(ZR2016CQ20)。
文摘Background:Photosynthate partitioning and within-plant boll distribution play an important role in yield formation of cotton;however,if and how they interact to mediate yield remains unclear.The objective of this study was to investigate the genotypic variance in photosynthate partitioning and within-plant boll distribution,with a focus on their interactions with regard to yield and yield components.A field experiment was conducted in the Yellow River region in China in 2017 and 2018 using a randomized complete block design with three replicates.Photosynthate partitioning of three commercial cultivars(DP 99 B,Lumianyan 21 and Jimian 169),varying in yield potential,to different organs(including bolls)at early flowering,peak flowering,and peak boll-setting stages,as well as withinplant boll distribution at harvest,and their effects on yield formation were examined.Results:Lint yield of Jimian 169 was the highest,followed by Lumianyan 21 and DP 99 B.Similar differences were observed in the number of inner bolls and boll weight among the three cultivars.J169 partitioned significantly more photosynthate to the fruit and fiber than Lumianyan 21 and DP 99 B and allocated over 80%of assimilates to the inner bolls.Additionally,Lumianyan 21 allocated a higher proportion of photosynthate to bolls and fiber,with12.5%–17.6%more assimilates observed in the inner bolls,than DP 99 B.Conclusions:Genotypic variance in lint yield can be attributed to differences in the number of inner bolls and boll weight,which are affected by photosynthate partitioning.Therefore,the partitioning of photosynthate to fiber and inner bolls can be used as an important reference for cotton breeding and cultivation.
文摘In this study, we show how to generalize Hirshfeld partitioning methods to possibly include non-spherical proatom densities. While this generalization is numerically challenging(requiring global optimization of a large number of parameters), it is conceptually appealing because it allows the proatoms to be pre-polarized, or even promoted, to a state that more closely resembles the atom in a molecule. This method is based on first characterizing the convex set of proatom densities associated with the degenerate ground states of isolated atoms and atomic ions. The preferred orientation of the proatoms' densities are then obtained by minimizing the information–theoretic distance between the promolecular and molecular densities. If contributions from excited states(and not just degenerate ground states) are included in the convex set, this method can describe promoted atoms. While the procedure is intractable in general, if one includes only atomic states that have differing electron-numbers and/or spins, the variational principle becomes a simple convex optimization with a single unique solution.
文摘针对特高压接入的输电网网架错综复杂、远景适应性差,甚至出现网架规划与开环分区决策相互独立导致资源浪费等问题,该文引入奇异值分解(singular value decomposition,SVD)和特征索引技术,提出了一种考虑电磁环网开环分区和500/220kV典型供电结构的输电网多阶段规划方法。首先,提取典型供电结构的路径特征,制定了一种基于标签路径特征的典型供电结构索引策略;然后,构建了一种基于SVD的典型供电结构相似度指标,基于此,以全局典型供电结构相似程度最大为目标,建立了相似度识别规划模型;最后,提出了一种反馈调节机制及求解方法,统筹协调各阶段网架规划和开环分区之间的决策信息。与传统规划方法相比,该文方法不仅能够避免不同阶段开环分区决策导致的资源浪费,还可以减少复杂的规划评估指标计算,构建供电可靠性高、运行方式灵活、远景适应性强的网架结构。基于湖南某地区实际电网算例验证了该文方法的准确性和有效性。
