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Advances in conceptual process design:From conventional strategies to AI-assisted methods
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作者 Ali Tarik Karagoz Omar Alqusair +1 位作者 Chao Liu Jie Li 《Chinese Journal of Chemical Engineering》 2025年第8期60-76,共17页
Conceptual process design (CPD) research focuses on finding design alternatives that address various design problems. It has a long history of well-established methodologies to answer these complex questions, such as ... Conceptual process design (CPD) research focuses on finding design alternatives that address various design problems. It has a long history of well-established methodologies to answer these complex questions, such as heuristics, mathematical programming, and pinch analysis. Nonetheless, progress continues from different formulations of design problems using bottom-up approaches, to the utilization of new tools such as artificial intelligence (AI). It was not until recently that AI methods were involved again in assisting the decision-making steps for chemical engineers. This has led to a gap in understanding AI's capabilities and limitations within the field of CPD research. Thus, this article aims to provide an overview of conventional methods for process synthesis, integration, and intensification approaches and survey emerging AI-assisted process design applications to bridge the gap. A review of all AI-assisted methods is highlighted, where AI is used as a key component within a design framework, to explain the utility of AI with comparative examples. The studies were categorized into supervised and reinforcement learning based on the machine learning training principles they used to enhance the understanding of requirements, benefits, and challenges that come with it. Furthermore, we provide challenges and prospects that can facilitate or hinder the progress of AI-assisted approaches in the future. 展开更多
关键词 process systems process design Mathematical programming Artificial intelligence Machine learning Neural networks
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Process design and intensification of multicomponent azeotropes special distillation separation via molecular simulation and system optimization 被引量:1
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作者 Chunliang Liu Jianhui Zhong +5 位作者 Ranran Wei Jiuxu Ruan Kaicong Wang Zhaoyou Zhu Yinglong Wang Limei Zhong 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第7期24-44,共21页
This work provides an overview of distillation processes,including process design for different distillation processes,selection of entrainers for special distillation processes,system integration and intensification ... This work provides an overview of distillation processes,including process design for different distillation processes,selection of entrainers for special distillation processes,system integration and intensification of distillation processes,optimization of process parameters for distillation processes and recent research progress in dynamic control strategies.Firstly,the feasibility of using thermodynamic topological theories such as residual curve,phase equilibrium line and distillation boundary line to analyze different separation regions is discussed,and the rationality of distillation process design is discussed by using its feasibility.Secondly,the application of molecular simulation methods such as molecular dynamics simulation and quantum chemical calculation in the screening of entrainer is discussed for the extractive distillation process.The thermal coupling mechanism of different distillation processes is used to explore the process of different process intensifications.Next,a mixed integer nonlinear optimization strategy for the distillation process based on different algorithms is introduced.Finally,the improvement of dynamic control strategies for different distillation processes in recent years is summarized.This work focuses on the application of process intensification and system optimization in the design of distillation process,and analyzes the challenges,prospects,and development trends of distillation technology in the separation of multicomponent azeotropes. 展开更多
关键词 Azeotrope separation process design Optimization algorithm process integration Dynamic control Entrainer selection
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A new multi-DOF envelope forming process for fabricating spiral bevel gears with back taper tooth 被引量:1
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作者 Xinghui HAN Yanhui WANG +3 位作者 Lin HUA Wuhao ZHUANG Fangyan ZHENG Wei FENG 《Chinese Journal of Aeronautics》 2025年第1期568-585,共18页
Spiral bevel gears are critical transmission components,and are widely used in the aerospace field.This paper proposes a new multi-DOF envelope forming process for fabricating spiral bevel gears.Firstly,the multi-DOF ... Spiral bevel gears are critical transmission components,and are widely used in the aerospace field.This paper proposes a new multi-DOF envelope forming process for fabricating spiral bevel gears.Firstly,the multi-DOF envelope forming principle of spiral bevel gears is proposed.Secondly,the design methods for the envelope tool geometry and movement are proposed based on the envelope geometry and movement relationships.Thirdly,the metal flow and tooth filling laws are revealed through 3D FE simulation of the multi-DOF envelope forming process of a typical spiral bevel gear.Fourthly,a new method for separating the envelope tool and the formed spiral bevel gear with back taper tooth is proposed to avoid their interference.Finally,experiments on multi-DOF envelope forming of this typical spiral bevel gear are conducted using new heavy load multi-DOF envelope forming equipment.The simulation and experimental results show the feasibility of the proposed multi-DOF envelope forming process for fabricating spiral bevel gears with back taper tooth and the corresponding process design methods. 展开更多
关键词 Multi-DOF envelope forming Spiral bevel gear Back taper tooth Metal flow process design
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The Impact of AIGC on the Design Process of Cultural and Creative Education Products and Its Management Implications
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作者 Suzhen Bai 《Journal of Educational Theory and Management》 2024年第4期46-49,共4页
Cultural and creative education products play a crucial role in modern education,as they can enhance students’creativity and cultural understanding.In the field of cultural and creative product development,Artificial... Cultural and creative education products play a crucial role in modern education,as they can enhance students’creativity and cultural understanding.In the field of cultural and creative product development,Artificial Intelligence Generated Content(AIGC)has not yet been maturely applied,while data-driven design methods can achieve personalized and efficient design outputs,thus facilitating the creative generation and rapid iteration of AIGC.This study aims to explore the application of AIGC in the development of cultural and creative education products,and to form a future-oriented design process transformation in combination with rapid output of data analysis.By building a database of cultural elements and user preferences related to educational aspects in cultural and creative education products,training the AIGC system using machine learning technology,and submitting the design drafts formed in the near term to designers for further optimization,the product is finally subjected to user feedback and market testing,with products that are highly accepted by users as the final output.The research results show that the use of AIGC can not only promote innovation in cultural and creative education products,improve design efficiency and product diversity,but also inspire more creative inspiration for designers.The advantage of data analysis further enhances the accuracy of product development and market response speed,achieving effective transformation of the design process.Moreover,this research provides valuable references for educational management in terms of resource allocation and curriculum design. 展开更多
关键词 Educational Management Cultural and Creative Education ProductsAIGC Cultural and Creative Education Products design process Educational Management Data Analysis
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Contextual design and real-time verification for agile casting design
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作者 Dong Xiang Chu-hao Zhou +3 位作者 Xuan-pu Dong Shu-ren Guo Yan-song Ding Hua-tang Cao 《China Foundry》 2025年第2期231-238,共8页
In the foundry industries,process design has traditionally relied on manuals and complex theoretical calculations.With the advent of 3D design in casting,computer-aided design(CAD)has been applied to integrate the fea... In the foundry industries,process design has traditionally relied on manuals and complex theoretical calculations.With the advent of 3D design in casting,computer-aided design(CAD)has been applied to integrate the features of casting process,thereby expanding the scope of design options.These technologies use parametric model design techniques for rapid component creation and use databases to access standard process parameters and design specifications.However,3D models are currently still created through inputting or calling parameters,which requires numerous verifications through calculations to ensure the design rationality.This process may be significantly slowed down due to repetitive modifications and extended design time.As a result,there are increasingly urgent demands for a real-time verification mechanism to address this issue.Therefore,this study proposed a novel closed-loop model and software development method that integrated contextual design with real-time verification,dynamically verifying relevant rules for designing 3D casting components.Additionally,the study analyzed three typical closed-loop scenarios of agile design in an independent developed intelligent casting process system.It is believed that foundry industries can potentially benefit from favorably reduced design cycles to yield an enhanced competitive product market. 展开更多
关键词 agile design context-design casting process design real-time verification smart manufacturing
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Parametric Analysis and Designing Maps for Powder Spreading in Metal Additive Manufacturing
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作者 Yuxuan Wu Sirish Namilae 《Computer Modeling in Engineering & Sciences》 2025年第2期2067-2090,共24页
Powder bed fusion(PBF)in metallic additive manufacturing offers the ability to produce intricate geometries,high-strength components,and reliable products.However,powder processing before energy-based binding signific... Powder bed fusion(PBF)in metallic additive manufacturing offers the ability to produce intricate geometries,high-strength components,and reliable products.However,powder processing before energy-based binding significantly impacts the final product’s integrity.Processing maps guide efficient process design to minimize defects,but creating them through experimentation alone is challenging due to the wide range of parameters,necessitating a comprehensive computational parametric analysis.In this study,we used the discrete element method to parametrically analyze the powder processing design space in PBF of stainless steel 316L powders.Uniform lattice parameter sweeps are often used for parametric analysis,but are computationally intensive.We find that non-uniform parameter sweep based on the low discrepancy sequence(LDS)algorithm is ten times more efficient at exploring the design space while accurately capturing the relationship between powder flow dynamics and bed packing density.We introduce a multi-layer perceptron(MLP)model to interpolate parametric causalities within the LDS parameter space.With over 99%accuracy,it effectively captures these causalities while requiring fewer simulations.Finally,we generate processing design maps for machine setups and powder selections for efficient process design.We find that recoating speed has the highest impact on powder processing quality,followed by recoating layer thickness,particle size,and inter-particle friction. 展开更多
关键词 Powder bed fusion additive manufacturing discrete element method parameter sweep process design
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Application of Natural Language Processing in Virtual Experience AI Interaction Design
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作者 Ziqian Rong 《Journal of Intelligent Learning Systems and Applications》 2024年第4期403-417,共15页
This paper investigates the application of Natural Language Processing (NLP) in AI interaction design for virtual experiences. It analyzes the impact of various interaction methods on user experience, integrating Virt... This paper investigates the application of Natural Language Processing (NLP) in AI interaction design for virtual experiences. It analyzes the impact of various interaction methods on user experience, integrating Virtual Reality (VR) and Augmented Reality (AR) technologies to achieve more natural and intuitive interaction models through NLP techniques. Through experiments and data analysis across multiple technical models, this study proposes an innovative design solution based on natural language interaction and summarizes its advantages and limitations in immersive experiences. 展开更多
关键词 Natural Language processing Virtual Reality Augmented Reality Interaction design User Experience
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采用Process Designer的白车身焊装生产线工艺规划研究 被引量:5
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作者 张生芳 曾魁 +2 位作者 田轩 毛俊峰 沙智华 《现代制造工程》 CSCD 北大核心 2012年第5期97-100,共4页
白车身焊装生产线工艺规划是决定汽车整车生产周期的重要环节。以先进的数字化工厂技术软件——ProcessDesigner为平台,通过创建制造信息模型和工艺过程模型,实现对白车身焊装生产线的生产信息管理和工艺过程规划,构建了白车身焊装生产... 白车身焊装生产线工艺规划是决定汽车整车生产周期的重要环节。以先进的数字化工厂技术软件——ProcessDesigner为平台,通过创建制造信息模型和工艺过程模型,实现对白车身焊装生产线的生产信息管理和工艺过程规划,构建了白车身焊装生产线工艺规划系统,并详细描述了其工艺规划实现的具体方法和步骤,最后以某型白车身底板焊装线为例,生成了基于规划系统的数字化三维工厂,对规划结果进行了验证。结果表明,利用该系统进行焊装工艺规划能显著缩短工艺规划时间,提高工艺规划的准确性。 展开更多
关键词 白车身焊装生产线 工艺规划 数字化工厂 process designer软件
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A Feature Definition Hierarchy for Supporting Design Process
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作者 孙正兴 张福炎 蔡士杰 《Journal of Southeast University(English Edition)》 EI CAS 1999年第1期55-62,共8页
The adaptability of features definition to applications is an essential condition for implementing feature based design. This paper makes attempt to present a hierarchical definition structure of features. The propos... The adaptability of features definition to applications is an essential condition for implementing feature based design. This paper makes attempt to present a hierarchical definition structure of features. The proposed scheme divides feature definition into application level, form level and geometric level, and provides links between different levels with feature semantics interpretation and enhanced geometric face adjacent graph. respectively. The results not only enable feature definition to abate from the specific dependence and become more extensive, but also provide a theoretical foundation for establishing the concurrent feature based design process model. 展开更多
关键词 design process feature based modeling feature definition hierarchical construction
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基于MATLAB App Designer的新能源汽车驾驶性分析系统设计
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作者 卜凯 《汽车实用技术》 2025年第13期54-59,共6页
为了解决行业内对汽车驾驶性评价缺乏客观量化的问题,文章根据汽车驾驶性主观评价指标设计了一套客观分析系统。通过MATLAB App Designer编写工况识别、信号处理和驾驶性指标分析代码,对车辆蠕行、起步加速、匀速、急加急减和滑行减速... 为了解决行业内对汽车驾驶性评价缺乏客观量化的问题,文章根据汽车驾驶性主观评价指标设计了一套客观分析系统。通过MATLAB App Designer编写工况识别、信号处理和驾驶性指标分析代码,对车辆蠕行、起步加速、匀速、急加急减和滑行减速五种典型工况进行响应性、平顺性和驾驶风格差异性分析。结果可知,驾驶性分析系统在某插电式混合动力汽车(PHEV)车型上的实践运用中取得了良好的效果,显著提高驾驶性开发效率,有助于推动汽车驾驶性客观分析的标准化和自动化进程。 展开更多
关键词 驾驶性分析系统 新能源汽车 信号处理 工况识别 评价指标 MATLAB App designer
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Review on biomass metallurgy:Pretreatment technology,metallurgical mechanism and process design 被引量:10
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作者 Jianliang Zhang Hongyuan Fu +4 位作者 Yanxiang Liu Han Dang Lian Ye Alberto N.Conejio Runsheng Xu 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2022年第6期1133-1149,共17页
The metallurgy industry consumes a considerable amount of coal and fossil fuels,and its carbon dioxide emissions are increasing every year.Replacing coal with renewable,carbon-neutral biomass for metallurgical product... The metallurgy industry consumes a considerable amount of coal and fossil fuels,and its carbon dioxide emissions are increasing every year.Replacing coal with renewable,carbon-neutral biomass for metallurgical production is of great significance in reducing global carbon consumption.This study describes the current state of research in biomass metallurgy in recent years and analyzes the concept and scientific principles of biomass metallurgy.The fundamentals of biomass pretreatment technology and biomass metallurgy technology were discussed,and the industrial application framework of biomass metallurgy was proposed.Furthermore,the economic and social advantages of biomass metallurgy were analyzed to serve as a reference for the advancement of fundamental theory and industrial application of biomass metallurgy. 展开更多
关键词 BIOMASS pretreatment technology blast furnace ironmaking direct reduction new process design benefit assessment
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Process Development and Design of Chlorine Dioxide Production Based on Hydrogen Peroxide 被引量:4
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作者 陈赟 江燕斌 钱宇 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2004年第1期118-123,共6页
This paper presents a process development and design of chlorine dioxide production based on hydrogen peroxide. The process is characterized by cleaner production, high efficiency, and waste minimization. Optimization... This paper presents a process development and design of chlorine dioxide production based on hydrogen peroxide. The process is characterized by cleaner production, high efficiency, and waste minimization. Optimization of process conditions, selection of equipment, and experiment of recycle of waste acid are carried out. The process design is realized in consideration of several aspects such as operation, material, equipment design and safety. An industrialized process flowsheet is developed according to experiment. A pilot testing is carried out to confirm the lab results. Process design of chlorine dioxide production based on hydrogen peroxide is realized. 展开更多
关键词 chlorine dioxide waste acid treatment process design environmental benign cleaner production
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A Strategy for Multi-objective Optimization under Uncertainty in Chemical Process Design 被引量:4
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作者 孙力 Helen H.Lou 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2008年第1期39-42,共4页
In many circumstances, chemical process design can be formulated as a multi-objective optimization (MOO) problem. Examples include bi-objective optimization problems, where the economic objective is maximized and en... In many circumstances, chemical process design can be formulated as a multi-objective optimization (MOO) problem. Examples include bi-objective optimization problems, where the economic objective is maximized and environmental impact is minimized simultaneously. Moreover, the random behavior in the process,property, market fluctuation, errors in model prediction and so on would affect the performance of a process. Therefore, it is essential to develop a MOO methodology under uncertainty. In this article, the authors propose a generic and systematic optimization methodology for chemical process design under uncertainty. It aims at identifying the optimal design from a number of candidates. The utility of this methodology is demonstrated by a case study based on the design of a condensate treatment unit in an ammonia plant. 展开更多
关键词 multi-objective optimization UNCERTAINTY chemical process design
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Process Design for Separating C4 Mixtures by Extractive Distillation 被引量:3
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作者 雷志刚 陈标华 李建伟 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2003年第3期297-301,共5页
C4 components are useful in industry and should be separated as individuals. A new process was proposed to separate them by extractive distillation, with the advantages of low equipment investment, energy consumption... C4 components are useful in industry and should be separated as individuals. A new process was proposed to separate them by extractive distillation, with the advantages of low equipment investment, energy consumption and liquid load in the columns. One principle to improve the extractive distillation process was put forward. Moreover, the analysis of operation state of the new process was done. There were eight operation states found for the whole process, but only one operation state was desirable. This work provides a way to effectively separate C4 mixtures and helps the reasonable utilization of C4 resource. 展开更多
关键词 process design extractive distillation C4 mixtures operation state
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Triple-Helix Structured Model Based on Problem-Knowledge-Solution Co-evolution for Innovative Product Design Process 被引量:6
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作者 Qian Hui Yan Li +1 位作者 Ye Tao Hongwei Liu 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2020年第6期49-63,共15页
A design problem with deficient information is generally described as wicked or ill-defined.The information insufficiency leaves designers with loose settings,free environments,and a lack of strict boundaries,which pr... A design problem with deficient information is generally described as wicked or ill-defined.The information insufficiency leaves designers with loose settings,free environments,and a lack of strict boundaries,which provides them with more opportunities to facilitate innovation.Therefore,to capture the opportunity behind the uncertainty of a design problem,this study models an innovative design as a composite solving process,where the problem is clarified and resolved from fuzziness to satisfying solutions by interplay among design problems,knowledge,and solutions.Additionally,a triple-helix structured model for the innovative product design process is proposed based on the co-evolution of the problem,solution,and knowledge spaces,to provide designers with a distinct design strategy and method for innovative design.The three spaces interact and co-evolve through iterative mappings,including problem structuring,knowledge expansion,and solution generation.The mappings carry the information processing and decision-making activities of the design,and create the path to satisfying solutions.Finally,a case study of a reactor coolant flow distribution device is presented to demonstrate the practicability of this model and the method for innovative product design. 展开更多
关键词 Innovative design Problem-knowledge-solution co-evolution design activity design process Product design
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Study on anti-faulting design process of Urumqi subway line 2 tunnel crossing reverse fault 被引量:8
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作者 An Shao Tao Lianjin Bian Jin 《Journal of Southeast University(English Edition)》 EI CAS 2020年第4期425-435,共11页
For the tunnel crossing active fault,the damage induced by fault movement is always serious.To solve such a problem,a detailed anti-faulting tunnel design process for Urumqi subway line 2 was introduced,and seven thre... For the tunnel crossing active fault,the damage induced by fault movement is always serious.To solve such a problem,a detailed anti-faulting tunnel design process for Urumqi subway line 2 was introduced,and seven three-dimensional elastic-plastic finite element models were established.The anti-faulting design process included three steps.First,the damage of tunnel lining from different locations of fault rupture surfaces was analyzed.Then,the analysis of the effect on tunnel buried depth was given.Finally,the effect of the disaster mitigation method on the flexible joint was verified and the location of the flexible joint was discussed.The results show that when the properties of surrounding rock at the tunnel bottom grows soft,the tunnel deformation curve is smoother and tunnel damage induced by fault movement is less serious.The vertical displacement change ratio of secondary linings along the tunnel axis may be the main factor to cause shear damage to the tunnel.The interface between the hanging wall and fracture zone is defined as the most adverse fault rupture surface.The tunnel damage was reduced with the decrease in the tunnel buried depth as more energy was dissipated by overburden soil and the differential uplift zone of soil became more diffuse.The method of the flexible joint can reduce the tunnel damage significantly and the disaster mitigation effect of different locations on the flexible joint is different.The tunnel damage is reduced by the greatest degree when the flexible joint is located on the fault rupture surface. 展开更多
关键词 subway tunnel finite element method anti-faulting design process fault rupture surface buried depth flexible joint
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QUALITY FUNCTION DEPLOYMENT IN BOTTOM-UP PROCESS FOR DESIGN REUSE 被引量:4
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作者 Tan Runhua, Duan Guolin, Liang Yanhong, Yuan Caiyun (School of Mechanical Engineering,Hebei University of Technology) 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2001年第4期381-384,共4页
To deal with a bottom up process model for design reuses a specific extended house of quality(EHOQ)is proposed Two kinds of supported functions,basic supported functions and new supported functions,are defined.Two ... To deal with a bottom up process model for design reuses a specific extended house of quality(EHOQ)is proposed Two kinds of supported functions,basic supported functions and new supported functions,are defined.Two processes to determine two kinds of functions are presented A kind of EHOQ matrix for a company is given and its management steps are studied. 展开更多
关键词 Quality function deployment BOTTOM up process design reuse
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Process Design of Continuous-Flow Pervaporation Separation for Alcohol Dehydration 被引量:1
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作者 陈欢林 朱长乐 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2000年第4期294-299,共6页
The separation characteristics of the PVA-CS (polyvinyl alcohol-chitosan) blended composite membrane for dehydration of ethanol-water mixture are examined. The relationships of flux and separation factor with the feed... The separation characteristics of the PVA-CS (polyvinyl alcohol-chitosan) blended composite membrane for dehydration of ethanol-water mixture are examined. The relationships of flux and separation factor with the feed concentration and operation temperature are established. Using this correlated equation, the continuous-flow pervaporation process about 500 kilolitres/year dehydrated ethanol is designed. The numbers of stage and reheater are calculated by stage-by-stage method for two kinds of cascades: one with equal membrane area and the other with 10℃ of temperature decrement per section. The results show that when the numbers of stage and reheater are the same, the cascade with 10℃ of temperature decrement has more advantages than that with equal membrane area. The influences of feed concentration and flow rate on the numbers of stage and reheater in the cascades are discussed. 展开更多
关键词 pervaporation membrane separation process design alcohol dehydration
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Review of Design of Process Parameters for Squeeze Casting 被引量:1
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作者 Jianxin Deng Bin Xie +1 位作者 Dongdong You Haibin Huang 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2023年第6期22-35,共14页
Squeeze casting(SC)is an advanced net manufacturing process with many advantages for which the quality and properties of the manufactured parts depend strongly on the process parameters.Unfortunately,a universal effic... Squeeze casting(SC)is an advanced net manufacturing process with many advantages for which the quality and properties of the manufactured parts depend strongly on the process parameters.Unfortunately,a universal efficient method for the determination of optimal process parameters is still unavailable.In view of the shortcomings and development needs of the current research methods for the setting of SC process parameters,by consulting and analyzing the recent research literature on SC process parameters and using the CiteSpace literature analysis software,manual reading and statistical analysis,the current state and characteristics of the research methods used for the determination of SC process parameters are summarized.The literature data show that the number of pub-lications in the literature related to the design of SC process parameters generally trends upward albeit with signifi-cant fluctuations.Analysis of the research focus shows that both“mechanical properties”and“microstructure”are the two main subjects in the studies of SC process parameters.With regard to materials,aluminum alloys have been extensively studied.Five methods have been used to obtain SC process parameters:Physical experiments,numeri-cal simulation,modeling optimization,formula calculation,and the use of empirical values.Physical experiments are the main research methods.The main methods for designing SC process parameters are divided into three categories:Fully experimental methods,optimization methods that involve modeling based on experimental data,and theoreti-cal calculation methods that involve establishing an analytical formula.The research characteristics and shortcomings of each method were analyzed.Numerical simulations and model-based optimization have become the new required methods.Considering the development needs and data-driven trends of the SC process,suggestions for the develop-ment of SC process parameter research have been proposed. 展开更多
关键词 Squeeze casting process parameter design process parameter optimization DATA-DRIVEN Neural network Research method analysis Literature analysis CITESPACE
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A Property Based Approach for Simultaneous Process and Molecular Design 被引量:1
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作者 Fadwa Tahra Eljack Charles Conrad Solvason +1 位作者 Nishanth Chemmangattuvalappil Mario Richard Eden 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2008年第3期424-434,共11页
In this work, property clustering techniques and group contribution methods are combined to enable simultaneous consideration of process performance requirements and molecular property constraints. Using this methodol... In this work, property clustering techniques and group contribution methods are combined to enable simultaneous consideration of process performance requirements and molecular property constraints. Using this methodology, the process design problem is solved to identify the property targets corresponding to the desired process performance. A significant advantage of the developed methodology is that for problems that can be satisfactorily described by only three properties, the process and molecular design problems can be simultaneously solved visually on a ternary diagram, irrespective of how many molecular fragments are included in the search space. On the ternary cluster diagram, the target properties are represented as individual points if given as discrete values or as a region if given as intervals. The structure and identity of candidate components is then identified by combining or "mixing" molecular fragments until the resulting properties match the targets. 展开更多
关键词 property integration group contribution process and molecular design
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