Fault detection and diagnosis(FDD)plays a significant role in ensuring the safety and stability of chemical processes.With the development of artificial intelligence(AI)and big data technologies,data-driven approaches...Fault detection and diagnosis(FDD)plays a significant role in ensuring the safety and stability of chemical processes.With the development of artificial intelligence(AI)and big data technologies,data-driven approaches with excellent performance are widely used for FDD in chemical processes.However,improved predictive accuracy has often been achieved through increased model complexity,which turns models into black-box methods and causes uncertainty regarding their decisions.In this study,a causal temporal graph attention network(CTGAN)is proposed for fault diagnosis of chemical processes.A chemical causal graph is built by causal inference to represent the propagation path of faults.The attention mechanism and chemical causal graph were combined to help us notice the key variables relating to fault fluctuations.Experiments in the Tennessee Eastman(TE)process and the green ammonia(GA)process showed that CTGAN achieved high performance and good explainability.展开更多
Refined risk prediction must be achieved to guarantee the safe and steady operation of chemical production processes.However,there is high nonlinearity and association coupling among massive,complicated multisource pr...Refined risk prediction must be achieved to guarantee the safe and steady operation of chemical production processes.However,there is high nonlinearity and association coupling among massive,complicated multisource process data,resulting in a low accuracy of existing prediction technology.For that reason,a real-time risk prediction method for chemical processes based on the attention-based bidirectional long short-term memory(Attention-based Bi-LSTM)is proposed in this study.First,multisource process data,such as temperature,pressure,flow rate,and liquid level,are preprocessed for denoising.Data correlation is analyzed in time windows by setting time windows and moving step lengths to explore correlations,thus establishing a complex network model oriented to the chemical production process.Second,network structure entropy is introduced to reduce the dimensions of the multisource process data.Moreover,a 1D relative risk sequence is acquired by maxemin deviation standardization to judge whether the chemical process is in a steady state.Finally,an Attention-based Bi-LSTM algorithm is established by integrating the attention mechanism and the Bi-LSTM network to fit and train 1D relative risk sequences.In that way,the proposed algorithm achieves real-time prediction and intelligent perception of risk states during chemical production.A case study based on the Tennessee Eastman process(TEP)is conducted.The validity and reasonability of the proposed method are verified by analyzing distribution laws of relative risks under normal and fault conditions.Also,the proposed algorithm importantly improves the prediction accuracy of chemical process risks relative to that of existing prediction technologies.展开更多
Two general approaches are adopted in solving dynamic optimization problems in chemical processes, namely, the analytical and numerical methods. The numerical method, which is based on heuristic algorithms, has been w...Two general approaches are adopted in solving dynamic optimization problems in chemical processes, namely, the analytical and numerical methods. The numerical method, which is based on heuristic algorithms, has been widely used. An approach that combines differential evolution （DE） algorithm and control vector parameteri- zation （CVP） is proposed in this paper. In the proposed CVP, control variables are approximated with polynomials based on state variables and time in the entire time interval. Region reduction strategy is used in DE to reduce the width of the search region, which improves the computing efficiency. The results of the case studies demonstrate the feasibility and efficiency of the oroposed methods.展开更多
Process optimization in equation-oriented(EO)modeling environments favors the gradient-based optimization algorithms by their abilities to provide accurate Jacobian matrices via automatic or symbolic differentiation.H...Process optimization in equation-oriented(EO)modeling environments favors the gradient-based optimization algorithms by their abilities to provide accurate Jacobian matrices via automatic or symbolic differentiation.However,computational inefficiencies including that in initial-point-finding for Newton type methods have significantly limited its application.Recently,progress has been made in using a pseudo-transient(PT)modeling method to address these difficulties,providing a fresh way forward in EO-based optimization.Nevertheless,research in this area remains open,and challenges need to be addressed.Therefore,understanding the state-of-the-art research on the PT method,its principle,and the strategies in composing effective methodologies using the PT modeling method is necessary for further developing EO-based methods for process optimization.For this purpose,the basic concepts for the PT modeling and the optimization framework based on the PT model are reviewed in this paper.Several typical applications,e.g.,complex distillation processes,cryogenic processes,and optimizations under uncertainty,are presented as well.Finally,we identify several main challenges and give prospects for the development of the PT based optimization methods.展开更多
Based on frequency response and convex optimization,a novel optimal control system was developed for chemical processes.The feedforward control is designed to improve the tracking performance of closed loop chemical s...Based on frequency response and convex optimization,a novel optimal control system was developed for chemical processes.The feedforward control is designed to improve the tracking performance of closed loop chemical systems.The parametric model is not required because the system directly utilizes the frequency response of the loop transfer function,which can be measured accurately.In particular,the extremal values of magnitude and phase can be solved according to constrained quadratic programming optimizer and convex optimization.Simulation examples show the effectiveness of the method.The design method is simple and easily adopted in chemical industry.展开更多
The catalytic properties of non-reducible metal oxides have intrigued continuous interest in the past decades.Often time,catalytic studies of bulk non-reducible oxides focused on their high-temperature applications ow...The catalytic properties of non-reducible metal oxides have intrigued continuous interest in the past decades.Often time,catalytic studies of bulk non-reducible oxides focused on their high-temperature applications owing to their weak interaction with small molecules.Hereby,combining ambient-pressure scanning tunneling microscopy(AP-STM),AP X-ray photoelectron spectroscopy(AP-XPS)and density functional theory(DFT)calculations,we studied the activation of CO and CO_(2)on ZnO,a typical nonreducible oxide and major catalytic material in the conversion of C1 molecules.By visualizing the chemical processes on ZnO surfaces at the atomic scale under AP conditions,we showed that new adsorbate structures induced by the enhanced physisorption and the concerted interaction of physisorbed molecules could facilitate the activation of CO and CO_(2)on ZnO.The reactivity of ZnO towards CO could be observed under AP conditions,where an ordered(2×1)–CO structure was observed on ZnO(1010).Meanwhile,chemisorption of CO_(2)on ZnO(1010)under AP conditions was also enhanced by physisorbed CO_(2),which minimizes the repulsion between surface dipoles and causes a(3×1)–CO_(2)structure.Our study has brought molecular insight into the fundamental chemistry and catalytic properties of ZnO surfaces under realistic reaction conditions.展开更多
The solutions of dynamic optimization problems are usually very difficult due to their highly nonlinear and multidimensional nature. 13enetic algorithm （GA） has been proved to be a teasibte method when the gradient ...The solutions of dynamic optimization problems are usually very difficult due to their highly nonlinear and multidimensional nature. 13enetic algorithm （GA） has been proved to be a teasibte method when the gradient is difficult to calculate. Its advantage is that the control profiles at all time stages are optimized simultaneously, but its convergence is very slow in the later period of evolution and it is easily trapped in the local optimum. In this study, a hybrid improved genetic algorithm （HIGA） for solving dynamic optimization problems is proposed to overcome these defects. Simplex method （SM） is used to perform the local search in the neighborhood of the optimal solution. By using SM, the ideal searching direction of global optimal solution could be found as soon as possible and the convergence speed of the algorithm is improved. The hybrid algorithm presents some improvements, such as protecting the best individual, accepting immigrations, as well as employing adaptive crossover and Ganssian mutation operators. The efficiency of the proposed algorithm is demonstrated by solving several dynamic optimization problems. At last, HIGA is applied to the optimal production of secreted protein in a fed batch reactor and the optimal feed-rate found by HIGA is effective and relatively stable.展开更多
To alleviate the heavy load of massive alarm on operators, alarm threshold in chemical processes was optimized with principal component analysis(PCA) weight and Johnson transformation in this paper. First, few variabl...To alleviate the heavy load of massive alarm on operators, alarm threshold in chemical processes was optimized with principal component analysis(PCA) weight and Johnson transformation in this paper. First, few variables that have high PCA weight factors are chosen as key variables. Given a total alarm frequency to these variables initially, the allowed alarm number for each variable is determined according to their sampling time and weight factors. Their alarm threshold and then control limit percentage are determined successively. The control limit percentage of non-key variables is determined with 3σ method alternatively. Second, raw data are transformed into normal distribution data with Johnson function for all variables before updating their alarm thresholds via inverse transformation of obtained control limit percentage. Alarm thresholds are optimized by iterating this process until the calculated alarm frequency reaches standard level(normally one alarm per minute). Finally,variables and their alarm thresholds are visualized in parallel coordinate to depict their variation trends concisely and clearly. Case studies on a simulated industrial atmospheric-vacuum crude distillation demonstrate that the proposed alarm threshold optimization strategy can effectively reduce false alarm rate in chemical processes.展开更多
Due to the scale effect, the uniform distribution of reagents in continuous flow reactor becomes bad when the channel is enlarged to tens of millimeters. Microfluidic field strategy was proposed to produce high mixing...Due to the scale effect, the uniform distribution of reagents in continuous flow reactor becomes bad when the channel is enlarged to tens of millimeters. Microfluidic field strategy was proposed to produce high mixing efficiency in large-scale channel. A 3D spiral baffle structure(3SBS) was designed and optimized to form microfluidic field disturbed by continuous secondary flow in millimeter scale Y-shaped tube mixer(YSTM). Enhancement effect of the 3SBS in liquid-liquid homogeneous chemical processes was verified and evaluated through the combination of simulation and experiment. Compared with 1 mm YSTM, 10 mm YSTM with 3SBS increased the treatment capacity by 100 times, shortened the basic complete mixing time by 0.85 times, which proves the potential of microfluidic field strategy in enhancement and scale-up of liquid-liquid homogeneous chemical process.展开更多
Dynamic multi-objective optimization is a complex and difficult research topic of process systems engineering. In this paper,a modified multi-objective bare-bones particle swarm optimization( MOBBPSO) algorithm is pro...Dynamic multi-objective optimization is a complex and difficult research topic of process systems engineering. In this paper,a modified multi-objective bare-bones particle swarm optimization( MOBBPSO) algorithm is proposed that takes advantage of a few parameters of bare-bones algorithm. To avoid premature convergence,Gaussian mutation is introduced; and an adaptive sampling distribution strategy is also used to improve the exploratory capability. Moreover, a circular crowded sorting approach is adopted to improve the uniformity of the population distribution.Finally, by combining the algorithm with control vector parameterization,an approach is proposed to solve the dynamic optimization problems of chemical processes. It is proved that the new algorithm performs better compared with other classic multiobjective optimization algorithms through the results of solving three dynamic optimization problems.展开更多
Integrated continuous stirred-tank reactors and distillation columns with recycle(CSTR-DC-recycle)are essential components in chemical processes.This paper proposes a method to establish a normal operating zone(NOZ)mo...Integrated continuous stirred-tank reactors and distillation columns with recycle(CSTR-DC-recycle)are essential components in chemical processes.This paper proposes a method to establish a normal operating zone(NOZ)model to represent allowable variations of the CSTR-DC-recycle chemical processes.The NOZ is a geometric space containing all safe operating points of the CSTR-DC-recycle chemical processes,so that it is an effective model for process monitoring.The novelty of the proposed method is to establish the NOZ model based on boundary points.The boundary points make it possible to capture the actual geometric space irrespective of the space shape.In contrast,existing methods represent the NOZ of processes by fixed mathematical models such as ellipsoidal and convex-hull models;they are not suitable for the CSTR-DC-recycle chemical processes whose NOZs cannot be exactly defined by fixed mathematical structures.Simulated case studies based on Aspen Hysys software are given to illustrate the proposed method.展开更多
In real industrial scenarios, equipment cannot be operated in a faulty state for a long time, resulting in a very limited number of available fault samples, and the method of data augmentation using generative adversa...In real industrial scenarios, equipment cannot be operated in a faulty state for a long time, resulting in a very limited number of available fault samples, and the method of data augmentation using generative adversarial networks for smallsample data has achieved a wide range of applications. However, the current generative adversarial networks applied in industrial processes do not impose realistic physical constraints on the generation of data, resulting in the generation of data that do not have realistic physical consistency. To address this problem, this paper proposes a physical consistency-based WGAN, designs a loss function containing physical constraints for industrial processes, and validates the effectiveness of the method using a common dataset in the field of industrial process fault diagnosis. The experimental results show that the proposed method not only makes the generated data consistent with the physical constraints of the industrial process, but also has better fault diagnosis performance than the existing GAN-based methods.展开更多
The awareness of the problem of the scarcity of water of high quality has strongly changed the approach of wastewater treatment.Currently,there is an increasing need for the beneficial reuse of treated wastewater and ...The awareness of the problem of the scarcity of water of high quality has strongly changed the approach of wastewater treatment.Currently,there is an increasing need for the beneficial reuse of treated wastewater and to recover valuable products and energy from the wastewater.Because microbiological treatment methods are,only to a limited part,able to satisfy these needs,the role and significance of physical/chemical processes in wastewater treatment are gaining more and more interest.The specific future role and aim of the various physical/chemical treatment processes can be categorized in five groups:improvement of the performance of microbiological treatment processes,achievement of the high quality required for reuse of the effluent,recovery of valuable components and energy from the wastewater for beneficial reuse,desalination of brackish water and seawater,and treatment of concentrated liquid or solid waste residues produced in a wastewater treatment process.Development of more environmentally sustainable wastewater treatment chains in which physical/chemical processes play a crucial role,also requires application of process control and modeling strategies.This is briefly introduced by the elaboration of treatment scenarios for three specific wastewaters.展开更多
The production of bulk organic chemicals has a strong impact on our daily life.In this review,an overview of important industrial processes using homogeneous catalysts is given.Using specific carbonylation and hydroge...The production of bulk organic chemicals has a strong impact on our daily life.In this review,an overview of important industrial processes using homogeneous catalysts is given.Using specific carbonylation and hydrogenation case studies,we want to show how basic research can contribute to the development of such processes and what challenges exist in this area of academic research.展开更多
Combined with third generation synchrotron radiation light sources, X-ray photoelectron spectroscopy (XPS) with higher energy resolution, brilliance, enhanced surface sensitivity and photoemission cross section in rea...Combined with third generation synchrotron radiation light sources, X-ray photoelectron spectroscopy (XPS) with higher energy resolution, brilliance, enhanced surface sensitivity and photoemission cross section in real time found extensive applications in solid-gas interface chemistry. This paper reports the calculation of the core-level binding energy shifts (CLS) using the first-principles density functional theory. The interplay between the CLS calculations and XPS measurements to uncover the structures, adsorption sites and chemical reactions in complex surface chemical processes are highlight. Its application on clean low index (111) and vicinal transition metal surfaces, molecular adsorption in terms of sites and configuration, and reaction kinetics are domonstrated.展开更多
Chemical batch processes have become significant in chemical manufacturing. In these processes, large numbers of chemical products are produced to satisfy human demands in daily life. Recently, economy globalization h...Chemical batch processes have become significant in chemical manufacturing. In these processes, large numbers of chemical products are produced to satisfy human demands in daily life. Recently, economy globalization has resulted, in growing worldwide competitions in tradi.tional chemical .process industry. In order to keep competitive in the global marketplace, each company must optimize its production management and set up a reactive system for market fluctuation. Scheduling is the core of production management in chemical processes. The goal of this paper is to review the recent developments in this challenging area. Classifications of batch scheduling problems and optimization methods are introduced. A comparison of six typical models is shown in a general benchmark example from the literature. Finally, challenges and applications in future research are discussed.展开更多
1.Aims and scope The international journal Research in Cold and Arid Regions,is devoted to publishing the latest research achievements in processes and the patterns of the Earth surface system in cold and arid regions...1.Aims and scope The international journal Research in Cold and Arid Regions,is devoted to publishing the latest research achievements in processes and the patterns of the Earth surface system in cold and arid regions.Research in cold regions emphasize particularly on the cold-region-characterized physical,chemical and biological processes and their interactions,and on the response of cryosphere to global change and human activities as well as their effects on environment and the acclimatizable strategies;focus on the objects of glacier,snow,river,lake,sea ice,permafrost and seasonal frozen ground,and periglacial geomorphology,etc.;and think much of cold regions engineering and technology.展开更多
1.Aims and scope The international journal Research in Cold and Arid Regions,is devoted to publishing the latest research achievements in processes and the patterns of the Earth surface system in cold and arid regions...1.Aims and scope The international journal Research in Cold and Arid Regions,is devoted to publishing the latest research achievements in processes and the patterns of the Earth surface system in cold and arid regions.Research in cold regions emphasize particularly on the cold-region-characterized physical,chemical and biological processes and their interactions,and on the response of cryosphere to global change and human activities as well as their effects on environment and the acclimatizable strategies;focus on the objects of glacier,snow,river,lake,sea ice,permafrost and seasonal frozen ground,and periglacial geomorphology,etc.;and think much of cold regions engineering and technology.Research in arid regions emphasize particularly on the arid-region-characterized physical,chemical and biological processes and their interactions,and on the response of arid regions to global change and human activities as well as their effects on environment and the acclimatizable strategies;focus on the objects of desert,oasis,loess,and aeolian landforms,etc.;and support integrated studies on mountain-desert-oasis system in arid watershed with water resources as masterstroke,so as to provide reliable technological support for water safety,ecology safety and food safety in arid regions.展开更多
1.Aims and scope The international journal Research in Cold and Arid Regions,is devoted to publishing the latest research achievements in processes and the patterns of the Earth surface system in cold and arid regions...1.Aims and scope The international journal Research in Cold and Arid Regions,is devoted to publishing the latest research achievements in processes and the patterns of the Earth surface system in cold and arid regions.Research in cold regions emphasize particularly on the cold-region-characterized physical,chemical and biological processes and their interactions,and on the response of cryosphere to global change and human activities as well as their effects on environment and the acclimatizable strategies;focus on the objects of glacier,snow,river,lake,sea ice,permafrost and seasonal frozen ground,and periglacial geomorphology,etc.;and think much of cold regions engineering and technology.Research in arid regions emphasize particularly on the arid-region-characterized physical.展开更多
Sunscreen agents derived from plants have been regarded as promising alternatives to artificial compounds.In this work,carbon dots(CDs)were prepared from carrot juice via a continuous microflowbased approach,where the...Sunscreen agents derived from plants have been regarded as promising alternatives to artificial compounds.In this work,carbon dots(CDs)were prepared from carrot juice via a continuous microflowbased approach,where the influence of process parameters was studied and optimized.Complimentary characterization revealed the CDs not only have small size,narrow size distribution,and good water solubility,but also have abundant functional groups as well as excellent UV absorption performance.Relying on these properties,the CDs were used as UV absorbers,suggesting they have strong long-term UV absorption ability over a broad pH range.The UV-absorption properties of the CDs were confirmed by incorporating the CDs in polyvinyl alcohol(PVA)to get C-CDs@PVA films of different thickness,in which significantly enhanced UV absorption performance was observed.Besides,the sun protection performance is also related to the film thickness.Afterwards,the practical application of the CDs was evaluated by adding them in a typical skin cream.With the addition of the CDs,the cream has drastically reduced UV transmittance in both UVA and UVB regions,and exhibits better UV absorption performance than commercial sunscreen agents.The CDs also demonstrated low cytotoxicity and high DPPH radical scavenging activity,making them promising as green sunscreen absorbers.This work is expected to provide a guidance for the development of green and effective natural sunscreen agents via microflowbased method.展开更多
基金support of the National Key Research and Development Program of China(2021YFB4000505).
文摘Fault detection and diagnosis(FDD)plays a significant role in ensuring the safety and stability of chemical processes.With the development of artificial intelligence(AI)and big data technologies,data-driven approaches with excellent performance are widely used for FDD in chemical processes.However,improved predictive accuracy has often been achieved through increased model complexity,which turns models into black-box methods and causes uncertainty regarding their decisions.In this study,a causal temporal graph attention network(CTGAN)is proposed for fault diagnosis of chemical processes.A chemical causal graph is built by causal inference to represent the propagation path of faults.The attention mechanism and chemical causal graph were combined to help us notice the key variables relating to fault fluctuations.Experiments in the Tennessee Eastman(TE)process and the green ammonia(GA)process showed that CTGAN achieved high performance and good explainability.
基金supported by the National Natural Science Foundation of China(52004014)the Fundamental Research Funds for the Central Universities(ZY2406)the National Key Research&Development Program of China(2021YFB3301100).
文摘Refined risk prediction must be achieved to guarantee the safe and steady operation of chemical production processes.However,there is high nonlinearity and association coupling among massive,complicated multisource process data,resulting in a low accuracy of existing prediction technology.For that reason,a real-time risk prediction method for chemical processes based on the attention-based bidirectional long short-term memory(Attention-based Bi-LSTM)is proposed in this study.First,multisource process data,such as temperature,pressure,flow rate,and liquid level,are preprocessed for denoising.Data correlation is analyzed in time windows by setting time windows and moving step lengths to explore correlations,thus establishing a complex network model oriented to the chemical production process.Second,network structure entropy is introduced to reduce the dimensions of the multisource process data.Moreover,a 1D relative risk sequence is acquired by maxemin deviation standardization to judge whether the chemical process is in a steady state.Finally,an Attention-based Bi-LSTM algorithm is established by integrating the attention mechanism and the Bi-LSTM network to fit and train 1D relative risk sequences.In that way,the proposed algorithm achieves real-time prediction and intelligent perception of risk states during chemical production.A case study based on the Tennessee Eastman process(TEP)is conducted.The validity and reasonability of the proposed method are verified by analyzing distribution laws of relative risks under normal and fault conditions.Also,the proposed algorithm importantly improves the prediction accuracy of chemical process risks relative to that of existing prediction technologies.
基金Supported by the Major State Basic Research Development Program of China(2012CB720500)the National Natural Science Foundation of China(Key Program:U1162202)+2 种基金the National Science Fund for Outstanding Young Scholars(61222303)the National Natural Science Foundation of China(61174118,21206037)Shanghai Leading Academic Discipline Project(B504)
文摘Two general approaches are adopted in solving dynamic optimization problems in chemical processes, namely, the analytical and numerical methods. The numerical method, which is based on heuristic algorithms, has been widely used. An approach that combines differential evolution （DE） algorithm and control vector parameteri- zation （CVP） is proposed in this paper. In the proposed CVP, control variables are approximated with polynomials based on state variables and time in the entire time interval. Region reduction strategy is used in DE to reduce the width of the search region, which improves the computing efficiency. The results of the case studies demonstrate the feasibility and efficiency of the oroposed methods.
基金supported by the National Natural Science Foundation of China(21978203,21676183).
文摘Process optimization in equation-oriented(EO)modeling environments favors the gradient-based optimization algorithms by their abilities to provide accurate Jacobian matrices via automatic or symbolic differentiation.However,computational inefficiencies including that in initial-point-finding for Newton type methods have significantly limited its application.Recently,progress has been made in using a pseudo-transient(PT)modeling method to address these difficulties,providing a fresh way forward in EO-based optimization.Nevertheless,research in this area remains open,and challenges need to be addressed.Therefore,understanding the state-of-the-art research on the PT method,its principle,and the strategies in composing effective methodologies using the PT modeling method is necessary for further developing EO-based methods for process optimization.For this purpose,the basic concepts for the PT modeling and the optimization framework based on the PT model are reviewed in this paper.Several typical applications,e.g.,complex distillation processes,cryogenic processes,and optimizations under uncertainty,are presented as well.Finally,we identify several main challenges and give prospects for the development of the PT based optimization methods.
基金Supported by the National Natural Science Foundation of China（51205133） Natural Science Foundation of Shanghai（11ZR1409000） Ph.D.Programs Foundation of Ministry of Education of China（20110074120007）
文摘Based on frequency response and convex optimization,a novel optimal control system was developed for chemical processes.The feedforward control is designed to improve the tracking performance of closed loop chemical systems.The parametric model is not required because the system directly utilizes the frequency response of the loop transfer function,which can be measured accurately.In particular,the extremal values of magnitude and phase can be solved according to constrained quadratic programming optimizer and convex optimization.Simulation examples show the effectiveness of the method.The design method is simple and easily adopted in chemical industry.
基金financially supported by the Ministry of Science and Technology of China(2018YFA0208603)the National Natural Science Foundation of China(21972144,91545204,91845109,91945302,22002090)+2 种基金the Chinese Academy of Sciences(QYZDJSSW-SLH054)the K.C.Wong Education(GJTD-2020-15)supported by ME2 project under contract no.11227902 from National Natural Science Foundation of China。
文摘The catalytic properties of non-reducible metal oxides have intrigued continuous interest in the past decades.Often time,catalytic studies of bulk non-reducible oxides focused on their high-temperature applications owing to their weak interaction with small molecules.Hereby,combining ambient-pressure scanning tunneling microscopy(AP-STM),AP X-ray photoelectron spectroscopy(AP-XPS)and density functional theory(DFT)calculations,we studied the activation of CO and CO_(2)on ZnO,a typical nonreducible oxide and major catalytic material in the conversion of C1 molecules.By visualizing the chemical processes on ZnO surfaces at the atomic scale under AP conditions,we showed that new adsorbate structures induced by the enhanced physisorption and the concerted interaction of physisorbed molecules could facilitate the activation of CO and CO_(2)on ZnO.The reactivity of ZnO towards CO could be observed under AP conditions,where an ordered(2×1)–CO structure was observed on ZnO(1010).Meanwhile,chemisorption of CO_(2)on ZnO(1010)under AP conditions was also enhanced by physisorbed CO_(2),which minimizes the repulsion between surface dipoles and causes a(3×1)–CO_(2)structure.Our study has brought molecular insight into the fundamental chemistry and catalytic properties of ZnO surfaces under realistic reaction conditions.
基金Supported by Major State Basic Research Development Program of China （2012CB720500）, National Natural Science Foundation of China （Key Program： Ul162202）, National Science Fund for Outstanding Young Scholars （61222303）, National Natural Science Foundation of China （21276078, 21206037） and the Fundamental Research Funds for the Central Universities.
文摘The solutions of dynamic optimization problems are usually very difficult due to their highly nonlinear and multidimensional nature. 13enetic algorithm （GA） has been proved to be a teasibte method when the gradient is difficult to calculate. Its advantage is that the control profiles at all time stages are optimized simultaneously, but its convergence is very slow in the later period of evolution and it is easily trapped in the local optimum. In this study, a hybrid improved genetic algorithm （HIGA） for solving dynamic optimization problems is proposed to overcome these defects. Simplex method （SM） is used to perform the local search in the neighborhood of the optimal solution. By using SM, the ideal searching direction of global optimal solution could be found as soon as possible and the convergence speed of the algorithm is improved. The hybrid algorithm presents some improvements, such as protecting the best individual, accepting immigrations, as well as employing adaptive crossover and Ganssian mutation operators. The efficiency of the proposed algorithm is demonstrated by solving several dynamic optimization problems. At last, HIGA is applied to the optimal production of secreted protein in a fed batch reactor and the optimal feed-rate found by HIGA is effective and relatively stable.
基金Supported by the National Natural Science Foundation of China(21576143)
文摘To alleviate the heavy load of massive alarm on operators, alarm threshold in chemical processes was optimized with principal component analysis(PCA) weight and Johnson transformation in this paper. First, few variables that have high PCA weight factors are chosen as key variables. Given a total alarm frequency to these variables initially, the allowed alarm number for each variable is determined according to their sampling time and weight factors. Their alarm threshold and then control limit percentage are determined successively. The control limit percentage of non-key variables is determined with 3σ method alternatively. Second, raw data are transformed into normal distribution data with Johnson function for all variables before updating their alarm thresholds via inverse transformation of obtained control limit percentage. Alarm thresholds are optimized by iterating this process until the calculated alarm frequency reaches standard level(normally one alarm per minute). Finally,variables and their alarm thresholds are visualized in parallel coordinate to depict their variation trends concisely and clearly. Case studies on a simulated industrial atmospheric-vacuum crude distillation demonstrate that the proposed alarm threshold optimization strategy can effectively reduce false alarm rate in chemical processes.
基金supported by the National Key Research and Development Program of China (2021YFC2101900 and 2019YFA0905000)National Natural Science Foundation of China (21908094, 21776130 and 22078150)+1 种基金Nanjing International Joint Research and Development Project (202002037)Top-notch Academic Programs Project of Jiangsu Higher Education Institutions。
文摘Due to the scale effect, the uniform distribution of reagents in continuous flow reactor becomes bad when the channel is enlarged to tens of millimeters. Microfluidic field strategy was proposed to produce high mixing efficiency in large-scale channel. A 3D spiral baffle structure(3SBS) was designed and optimized to form microfluidic field disturbed by continuous secondary flow in millimeter scale Y-shaped tube mixer(YSTM). Enhancement effect of the 3SBS in liquid-liquid homogeneous chemical processes was verified and evaluated through the combination of simulation and experiment. Compared with 1 mm YSTM, 10 mm YSTM with 3SBS increased the treatment capacity by 100 times, shortened the basic complete mixing time by 0.85 times, which proves the potential of microfluidic field strategy in enhancement and scale-up of liquid-liquid homogeneous chemical process.
基金National Natural Science Foundations of China(Nos.61222303,21276078)National High-Tech Research and Development Program of China(No.2012AA040307)+1 种基金New Century Excellent Researcher Award Program from Ministry of Education of China(No.NCET10-0885)the Fundamental Research Funds for the Central Universities and Shanghai Leading Academic Discipline Project,China(No.B504)
文摘Dynamic multi-objective optimization is a complex and difficult research topic of process systems engineering. In this paper,a modified multi-objective bare-bones particle swarm optimization( MOBBPSO) algorithm is proposed that takes advantage of a few parameters of bare-bones algorithm. To avoid premature convergence,Gaussian mutation is introduced; and an adaptive sampling distribution strategy is also used to improve the exploratory capability. Moreover, a circular crowded sorting approach is adopted to improve the uniformity of the population distribution.Finally, by combining the algorithm with control vector parameterization,an approach is proposed to solve the dynamic optimization problems of chemical processes. It is proved that the new algorithm performs better compared with other classic multiobjective optimization algorithms through the results of solving three dynamic optimization problems.
基金partially funded by the National Natural Science Foundation of China(62273215)。
文摘Integrated continuous stirred-tank reactors and distillation columns with recycle(CSTR-DC-recycle)are essential components in chemical processes.This paper proposes a method to establish a normal operating zone(NOZ)model to represent allowable variations of the CSTR-DC-recycle chemical processes.The NOZ is a geometric space containing all safe operating points of the CSTR-DC-recycle chemical processes,so that it is an effective model for process monitoring.The novelty of the proposed method is to establish the NOZ model based on boundary points.The boundary points make it possible to capture the actual geometric space irrespective of the space shape.In contrast,existing methods represent the NOZ of processes by fixed mathematical models such as ellipsoidal and convex-hull models;they are not suitable for the CSTR-DC-recycle chemical processes whose NOZs cannot be exactly defined by fixed mathematical structures.Simulated case studies based on Aspen Hysys software are given to illustrate the proposed method.
文摘In real industrial scenarios, equipment cannot be operated in a faulty state for a long time, resulting in a very limited number of available fault samples, and the method of data augmentation using generative adversarial networks for smallsample data has achieved a wide range of applications. However, the current generative adversarial networks applied in industrial processes do not impose realistic physical constraints on the generation of data, resulting in the generation of data that do not have realistic physical consistency. To address this problem, this paper proposes a physical consistency-based WGAN, designs a loss function containing physical constraints for industrial processes, and validates the effectiveness of the method using a common dataset in the field of industrial process fault diagnosis. The experimental results show that the proposed method not only makes the generated data consistent with the physical constraints of the industrial process, but also has better fault diagnosis performance than the existing GAN-based methods.
文摘The awareness of the problem of the scarcity of water of high quality has strongly changed the approach of wastewater treatment.Currently,there is an increasing need for the beneficial reuse of treated wastewater and to recover valuable products and energy from the wastewater.Because microbiological treatment methods are,only to a limited part,able to satisfy these needs,the role and significance of physical/chemical processes in wastewater treatment are gaining more and more interest.The specific future role and aim of the various physical/chemical treatment processes can be categorized in five groups:improvement of the performance of microbiological treatment processes,achievement of the high quality required for reuse of the effluent,recovery of valuable components and energy from the wastewater for beneficial reuse,desalination of brackish water and seawater,and treatment of concentrated liquid or solid waste residues produced in a wastewater treatment process.Development of more environmentally sustainable wastewater treatment chains in which physical/chemical processes play a crucial role,also requires application of process control and modeling strategies.This is briefly introduced by the elaboration of treatment scenarios for three specific wastewaters.
基金the support of the European Research Council(ERC NoNaCat grant no.670986)the Federal Ministry of Education and Research(BMBF)the State of Mecklenburg-Vorpommern.
文摘The production of bulk organic chemicals has a strong impact on our daily life.In this review,an overview of important industrial processes using homogeneous catalysts is given.Using specific carbonylation and hydrogenation case studies,we want to show how basic research can contribute to the development of such processes and what challenges exist in this area of academic research.
基金the financial support from the National Natural Sci-ence Foundation of China (Grant Nos. 20733008, 20873142)the National Basic Research Program of China (2007CB815205)
文摘Combined with third generation synchrotron radiation light sources, X-ray photoelectron spectroscopy (XPS) with higher energy resolution, brilliance, enhanced surface sensitivity and photoemission cross section in real time found extensive applications in solid-gas interface chemistry. This paper reports the calculation of the core-level binding energy shifts (CLS) using the first-principles density functional theory. The interplay between the CLS calculations and XPS measurements to uncover the structures, adsorption sites and chemical reactions in complex surface chemical processes are highlight. Its application on clean low index (111) and vicinal transition metal surfaces, molecular adsorption in terms of sites and configuration, and reaction kinetics are domonstrated.
基金Supported by the National Natural Science Foundation of China （20536020, 20876056）.
文摘Chemical batch processes have become significant in chemical manufacturing. In these processes, large numbers of chemical products are produced to satisfy human demands in daily life. Recently, economy globalization has resulted, in growing worldwide competitions in tradi.tional chemical .process industry. In order to keep competitive in the global marketplace, each company must optimize its production management and set up a reactive system for market fluctuation. Scheduling is the core of production management in chemical processes. The goal of this paper is to review the recent developments in this challenging area. Classifications of batch scheduling problems and optimization methods are introduced. A comparison of six typical models is shown in a general benchmark example from the literature. Finally, challenges and applications in future research are discussed.
文摘1.Aims and scope The international journal Research in Cold and Arid Regions,is devoted to publishing the latest research achievements in processes and the patterns of the Earth surface system in cold and arid regions.Research in cold regions emphasize particularly on the cold-region-characterized physical,chemical and biological processes and their interactions,and on the response of cryosphere to global change and human activities as well as their effects on environment and the acclimatizable strategies;focus on the objects of glacier,snow,river,lake,sea ice,permafrost and seasonal frozen ground,and periglacial geomorphology,etc.;and think much of cold regions engineering and technology.
文摘1.Aims and scope The international journal Research in Cold and Arid Regions,is devoted to publishing the latest research achievements in processes and the patterns of the Earth surface system in cold and arid regions.Research in cold regions emphasize particularly on the cold-region-characterized physical,chemical and biological processes and their interactions,and on the response of cryosphere to global change and human activities as well as their effects on environment and the acclimatizable strategies;focus on the objects of glacier,snow,river,lake,sea ice,permafrost and seasonal frozen ground,and periglacial geomorphology,etc.;and think much of cold regions engineering and technology.Research in arid regions emphasize particularly on the arid-region-characterized physical,chemical and biological processes and their interactions,and on the response of arid regions to global change and human activities as well as their effects on environment and the acclimatizable strategies;focus on the objects of desert,oasis,loess,and aeolian landforms,etc.;and support integrated studies on mountain-desert-oasis system in arid watershed with water resources as masterstroke,so as to provide reliable technological support for water safety,ecology safety and food safety in arid regions.
文摘1.Aims and scope The international journal Research in Cold and Arid Regions,is devoted to publishing the latest research achievements in processes and the patterns of the Earth surface system in cold and arid regions.Research in cold regions emphasize particularly on the cold-region-characterized physical,chemical and biological processes and their interactions,and on the response of cryosphere to global change and human activities as well as their effects on environment and the acclimatizable strategies;focus on the objects of glacier,snow,river,lake,sea ice,permafrost and seasonal frozen ground,and periglacial geomorphology,etc.;and think much of cold regions engineering and technology.Research in arid regions emphasize particularly on the arid-region-characterized physical.
基金National Natural Science Foundation of China(22078125)Postdoctoral Science Foundation of China(2023M741472)Fundamental Research Funds for the Central Universities(JUSRP622038).
文摘Sunscreen agents derived from plants have been regarded as promising alternatives to artificial compounds.In this work,carbon dots(CDs)were prepared from carrot juice via a continuous microflowbased approach,where the influence of process parameters was studied and optimized.Complimentary characterization revealed the CDs not only have small size,narrow size distribution,and good water solubility,but also have abundant functional groups as well as excellent UV absorption performance.Relying on these properties,the CDs were used as UV absorbers,suggesting they have strong long-term UV absorption ability over a broad pH range.The UV-absorption properties of the CDs were confirmed by incorporating the CDs in polyvinyl alcohol(PVA)to get C-CDs@PVA films of different thickness,in which significantly enhanced UV absorption performance was observed.Besides,the sun protection performance is also related to the film thickness.Afterwards,the practical application of the CDs was evaluated by adding them in a typical skin cream.With the addition of the CDs,the cream has drastically reduced UV transmittance in both UVA and UVB regions,and exhibits better UV absorption performance than commercial sunscreen agents.The CDs also demonstrated low cytotoxicity and high DPPH radical scavenging activity,making them promising as green sunscreen absorbers.This work is expected to provide a guidance for the development of green and effective natural sunscreen agents via microflowbased method.
