CAPE in der Praxis — Möglichkeiten und Grenzen aus Nutzersicht

CAPE in Practice - Opportunities and Limits from the User's Point of View . CAPE tools comprise computer based tools and methods for the design of chemical processes - the use of which is indispensable in modern chemical engineering. This paper discusses the degree to which CAPE is already applied and whether limitations exist. Within BASF, the CAPE framework is provided by the “ProcessNet”, which integrates numerous simulation and design tools. The engineer relies alternatively on inhouse or commercial software. The advantage of CAPE in terms of efficiency depends not only on complex programs, but also to a large extent on the multiple use of intermediate data and program modules. The ProcessNet also features a hierarchical file structure to support the engineer's desktop management. The CAPE environment is being continuously improved. The main constraints on CAPE today are, for example, the missing link between fluid and solid applications, a deficit in data management and the poor state of development of advanced or special programs. The progress of research in this area is followed with great interest.     

PSE for problem solving excellence in industrial R&D

PSE, process systems engineering, is about the development and application of systematic methods for process studies by the chemical engineer. By means of software tools, the application of these methods is facilitated. Over the last about half a century, CAPE (computer aided process engineering) tools have found their way into process engineering. For example it is unthinkable nowadays to design a plant without a simulation through a process simulator. But there are many more applications of PSE in industry.The aim of this paper is to provide a taste of the meaning of PSE within the industrial R&D environment. The intention is not to provide a complete overview but to give a flavour of what is perceived as the benefits of PSE during process development, and, in which areas PSE should be extended to render further benefits. The combined approach of experiments and modelling offers a very (cost-)effective strategy in industrial R&D. Further improvements are desired in the areas related to process intensification (PI) and (conceptual) product design. It is believed that the current methods would be more beneficial and have a stronger applicability in industry by inclusion of semi-predictive models and uncertainty considerations.     

Curricular and pedagogical challenges for enhanced graduate attributes in CAPE

The purpose of this paper is to raise important issues in the area of CAPE education in the face of contemporary changes in knowledge development, information and communication technology advances and the practice of professional engineering. The paper does not seek to prescribe specific solutions but considers curriculum design principles that can help address the challenges faced by educators, professional and industry partners in developing graduate attributes within the CAPE domain. It is provided as a catalyst for further discussion and action on this important educational challenge.We discuss a range of important drivers for enhancing CAPE learning and teaching within the context of shifts in engineering practice and important developments in information and communication technologies. Effective development of graduate attributes in the CAPE domain requires innovative, unified curricula and pedagogies that centre on a range of learning strategies, the clever use of technology, collaborative learning spaces and authentic learning experiences. CAPE activities must be contextualized within systems-based courses in the curriculum and those courses must have a cohesive structure and justifiable learning progression. Such strategies can engage learners in situations and tasks that address a range of learning goals such as domain awareness and knowledge through to the deeper aspects of analysis, synthesis and evaluation – all aided by computer based methods.A review is made of the current trends in professional engineering activities across the product and process life cycle. These activities provide an important set of drivers for enhanced CAPE learning and teaching in engineering education. These considerations are coupled with an examination of approaches to curriculum design that sketch out important learning pathways, knowledge integration and pedagogies that must be considered in order to address and enhance the graduate outcomes in the CAPE education domain.We must adopt similar principles used within the application of process systems engineering to design and implement the educational environment for CAPE.     

国际权威化工数据库DECHEMA及其应用

介绍了世界上数据量最大、应用最广泛和最权威的化工数据库DECHEMA及其主要的子数据库和工具软件.子数据库DETHERM 中已经收纳了6 590 000套各种数据,其中包括14万个系统,29 600个纯物质,110 300个混合物的相关数据.介绍了DETHERM数据库与著名化工模拟软件的连接.举例阐述DETHERM数据...     

CAPE in der Verfahrenstechnik aus industrieller Sicht – Status,Bedarf, Prognose oder Vision?

CAPE in chemical engineering from an industrial viewpoint – Status, demands, outlook. The use of computers for solving chemical process problems is steadily gaining in importance. Simulation, design, optimization, and synthesis of processes are the main applications. The working group “Process simulation and process design” in the Dechema specialist committee “Use of computers in chemical engineering” has discussed the state of the art of simulation tools. Demands of industry on future tools have been outlined and a new simulator concept presented. If this concept is pursued, then interested companies will have to support development. The article presents background information and is intended to stimulate further interest.     

OntoCAPE—A (re)usable ontology for computer-aided process engineering

This article gives an overview on OntoCAPE, a formal ontology for the domain of computer-aided process engineering. An ontology is an explicit specification of a conceptualization (Gruber, 1993), typically involving classes, their relations, and axioms for clarifying the intended semantics. A formal ontology, in particular, captures the consensual knowledge of an application domain in such a way that it can be reused and shared across software applications (Gómez-Pérez et al., 2004). OntoCAPE formally represents domain knowledge about CAPE, with the intention of supporting the construction of software tools for different tasks such as knowledge management, mathematical modeling, or plant design. We argue that a useful ontology must simultaneously strive for usability and reusability and explain how these goals are achieved by OntoCAPE.     

A multi-agent system to facilitate component-based process modeling and design

Component-based software technology and software interfaces standardization initiatives, such as CAPE–OPEN, have made it possible to model chemical processes and to perform model-based engineering tasks by combining components of process modeling software from different sources, hence providing the potential of exploiting the “best of breed” offered by the CAPE community. In this context, software component libraries, possibly located on a local computer, on the intranet of an organization, or on the Internet, have to be searched to find the most suitable components for a particular engineering task at hand to be integrated into the engineers’ computing environment. This paper proposes to address this issue through a multi-agent software system which facilitates the engineers to find and to integrate software components and aims at reducing the engineers’ effort to the minimum. Within this system, a directory facilitator serves as the “yellow pages” such that an undetermined set of software component libraries located anywhere may be registered with the system. A matchmaker is used to match the specification of a desired software component with the potential candidates in the relevant libraries. The integration of a matching component into the computing environment is handled by an integration manager. A prototype of such a system, called COGents, has been developed employing an existing multi-agent platform. The ontology OntoCAPE defines the chemical engineering and modeling concepts required for specifying desired software components and for characterizing existing ones. OntoCAPE also provides a shared semantic basis for communication between the software agents. Details of the implementation of COGents are presented and the re-usability of the parts of the COGents system is discussed. Three successful demonstrative applications of COGents are reported, each dealing with different types of tasks, specifically flowsheeting, detailed modeling and process design.     

Implementation of the waste reduction (WAR) algorithm utilizing flowsheet monitoring

Environmental metric software can be used to evaluate the sustainability of a chemical based upon data from the chemical process used to manufacture it. An obstacle to the development of environmental metric software for use in chemical process modeling software has been the inability to obtain information about the process directly from the model. There have been past attempts to develop environmental metrics that make use of the process models, but there has not been an integrated, standardized approach to obtaining the process information required for calculating metrics. As a result, environmental evaluation packages are largely limited to use in a single simulation package, further limiting the development and adoption of these tools.This paper proposes a standardized mechanism for obtaining process information directly from a process model using a strongly integrated interface set, called flowsheet monitoring. The flowsheet monitoring interface provides read-only access to the unit operation and streams within the process model, and can be used to obtain the material flow data from the process streams. This material flow data can then be used to calculate process-based environmental metrics. The flowsheet monitoring interface has been proposed as an extension of the CAPE-OPEN chemical process simulation interface set.To demonstrate the capability of the flowsheet monitoring interfaces, the US Environmental Protection Agency (USEPA) WAste Reduction (WAR) algorithm is demonstrated in AmsterCHEM's COFE (CAPE-OPEN Flowsheeting Environment). The WAR add-in accesses the material flows and unit operations directly from the process simulator and uses flow data to calculate the potential environmental impact (PEI) score for the process. The WAR algorithm add-in is included in the latest release of COCO Simulation Environment, available from http://www.cocosimulator.org/.     

Additive Manufacturing in Fluid Process Engineering

Additive manufacturing describes technologies that translate virtual computer‐aided design data into physical models in a fast process. While industries such as automotive and aerospace adopt this manufacturing technique rapidly, it is little applied within process engineering. Additive manufacturing offers freedom of design which gives access to novel shapes and geometries with fast production times. This review analyses the most important layer fabrication principles first and shows applications of additive manufacturing in fluid process engineering second. The review focuses on applications where liquids and gases are involved and it showcases the potential of additive manufacturing within process engineering of functional devices. Examples of current research projects show the potential of the technology for advances process engineering.     

工程设计原生数字档案数据库的建立与意义

在大数据时代背景之下,在计算机技术快速发展之下,化工行业的档案管理工作不仅需要适应时代的需求,也要找到自身前进的方向。以中国寰球工程公司辽宁分公司工程设计原生数字档案数据库建立的实践为研究内容,阐述了新的档案管理理念和建立工程设计原生数字档案数据库的意义,及通过工程设计原生数字档案数据库的建立提高档案的工作效率和利用效率。     

Computergestützte Auswertung von Informationssammlungen in der Verfahrenstechnik

Computer-aided retrieval of data collections in chemical engineering. Data collections are an important tool for more efficient and economical engineering in the various fields of chemical process technology. The computer-aided utilization of available data collections has major advantages compared with manual processing. Computer-aided utilization can be based on the identification retrieval or rank retrieval method. The advantage of the rank retrieval method is that it provides a spectrum of solutions sorted by the degree of coincidence with the ideal solution. Rank retrieval can be integrated into larger program packages within an integrated computer system which supports the design of chemical plants.     

GRIP: A problem-oriented language

GRIP (GeneRal Interactive Processor) is a problem-oriented language which establishes a powerful and convenient communication linkage between engineer and computer. GRIP is implemented in a set of programs which provide its capabilities for command translation, on-line programming and small database management. The GRIP application program, written using the grammer of the language, provides access to one or more task specific programs and to utility resources such as numerical methods and interactive graphics packages. This paper describes the structure and function of GRIP applications which support chemical engineering education and research activities.     

Economic value and environmental impact (EVEI) analysis of biorefinery systems

The selection of product portfolios, processing routes and the combination of technologies to obtain a sustainable biorefinery design according to economic and environmental criteria represents a challenge to process engineering. The aim of this research is to generate a robust methodology that assists process engineers to conceptually optimise the environmental and economic performances of biorefinery systems. A novel economic value and environmental impact (EVEI) analysis methodology is presented in this paper. The EVEI analysis is a tool that emerges from the combination of the value analysis method for the evaluation of economic potential with environmental footprinting for impact analysis. The methodology has been effectively demonstrated by providing insights into the performance of a bioethanol plant as a case study. The systematisation of the methodology allowed its implementation and integration into a computer-aided process engineering (CAPE) tool in the spreadsheet environment.     

Computer aided estimation of fugitive emission rates and occupational air concentration in process design

European Union directives such as the Integrated Pollution Prevention and Control (IPPC) require inclusion of safety, environmental and health analyses in process design as part of strategies towards achieving sustainable process development. In petrochemical and organic chemical industries, which mostly handle volatile compounds, the most significant contributor to atmospheric releases is fugitive emissions that are mainly contributed by piping fittings and components. Fugitive emissions are not only of economic and environmental concern, but also a major source of background inhalative exposure to workers that may lead to various diseases including cancer. More people die every year from occupational diseases as compared to the number killed in industrial accidents. Therefore the estimation of occupational air concentration due to fugitive emission needs to be done early when developing a new process. Several methods for fugitive emissions estimation have been introduced which mostly involve manual calculations. Computer-based tools for such purpose however, are still lacking. Besides, the current methods mainly focus on the emission rates only but not on the process air concentrations. Computer aided methods for fugitive emissions assessment are highly in need, since now most of the design work is done by using computer aided process engineering (CAPE) tools. Therefore in this paper computer aided methods for quantifying fugitive emission rates and occupational air concentration are presented. Three methods are proposed for early design stages based on data available from simple process flow diagrams (PFDs), detailed PFDs or piping and instrumentation diagrams (P&IDs). The method becomes more comprehensive as it progresses from simple PFDs to P&IDs, since more process data are available later, which include plot plan, coordinates of the emission sources and local wind speed. Users however, can choose which method to use depending on the process information available in hand. The methods are demonstrated in a case study of product distillation system of toluene hydrodealkylation.     

涤纶FDY(12丝饼/位)纺丝设备与工艺

通过工程设计和生产实践 ,介绍了涤纶FDY( 12丝饼 /位 )纺丝、卷绕设备特点及工艺技术。重点对纺丝箱体、纺丝组件进行了详细讨论。     

Evaluation of software for multiple imputation of semi-continuous data

It is now widely accepted that multiple imputation (MI) methods properly handle the uncertainty of missing data over single imputation methods. Several standard statistical software packages, such as SAS, R and STATA, have standard procedures or user-written programs to perform MI. The performance of these packages is generally acceptable for most types of data. However, it is unclear whether these applications are appropriate for imputing data with a large proportion of zero values resulting in a semi-continuous distribution. In addition, it is not clear whether the use of these applications is suitable when the distribution of the data needs to be preserved for subsequent analysis. This article reports the findings of a simulation study carried out to evaluate the performance of the MI procedures for handling semi-continuous data within these statistical packages. Complete resource use data on 1060 participants from a large randomized clinical trial were used as the simulation population from which 500 bootstrap samples were obtained and missing data imposed. The findings of this study showed differences in the performance of the MI programs when imputing semi-continuous data. Caution should be exercised when deciding which program should perform MI on this type of data.     

Lipase-catalyzed Synthesis of Caffeic Acid Phenethyl Ester in Ionic Liquids： Effect of Specific Ions and Reaction Parameters

Caffeic acid phenethyl ester（CAPE） is a rare, naturally occurring phenolic food additive. This work systematically reported fundamental data on conversion of caffeic acid（CA）, yield of CAPE, and reactive selectivity during the lipase-catalyzed esterification process of CA and phenylethanol（PE） in ionic liquids（ILs）. Sixteen ILs were selected as the reaction media, and the relative lipase-catalyzed synthesis properties of CAPE were measured in an effort to enhance the yield of CAPE with high selectivity. The results indicated that ILs containing weakly coordinating anions and cations with adequate alkyl chain length improved the synthesis of CAPE. [Emim][Tf2 N] was selected as the optimal reaction media. The optimal parameters were as follows by response surface methodology（RSM）： reaction temperature, 84.0 °C; mass ratio of Novozym 435 to CA, 14︰1; and molar ratio of PE to CA, 16 ︰ 1. The highest reactive selectivity of CAPE catalyzed by Novozym 435 in [Emim][Tf2 N] reached 64.55%（CA conversion 98.76% and CAPE yield 63.75%, respectively）. Thus, lipase-catalyzed esterification in ILs is a promising method suitable for CAPE production.     

The development of A 2-D graphical process flowsheet generator (PFG) and a piping and instrumentation generator (PIG)

Two software packages PFG and PIG are described. They enable users to draw 2-D process flowsheet and piping and instrumentation diagrams in monochrome and colour using graphical input/output.Ikon and menu driven input techniques together with a pen-like stylus or mouse are exploited to generate a highly interactive environment which facilitates process design and analysis in much greater depth than was previously possible. Developed for undergraduate teaching the packages are also relevant to practising engineers and to those involved in software engineering for the process industries. PFG and PIG are written in FORTRAN 77 using GINO-F for drawing. They interface with commercial process flowsheeting simulators producing the topological equipment stream connection information from the screen display.