Process Simulation Unit Operation Models - Review of Open and HSC Chemistry I/O Interfaces

Chemical process modelling and simulation can be used as a design tool in the development of chemical plants, and is utilized as a means to evaluate different design options. The CAPE-OPEN interface standards were developed to allow the deployment and utilization of process modelling components in any compliant process modelling environment. This thesis examines the possibilities provided by the CAPE-OPEN interfaces and the .NET framework to develop compliant, cross-platform process modelling components, particularly unit operations. From the software engineering point of view, a unit operation is a representation of physical equipment, and contains the mathematical model of its functionality. The study indicates that the differences between the CAPE-OPEN standards and Outotec HSC Chemistry Sim are negligible at the conceptual level. On the other hand, at the implementation level, the differences are quite considerable. Regardless of the simulation application being used, the modelling of unit operations requires interdisciplinary skills, and creating tools and methods to ease the development of such models is well justified. The results of this study suggest that CAPE-OPEN both provides various paths to change the way HSC Chemistry Sim works and offers the HSC development team a chance to determine an alternative way to distribute tasks between simulation components. In addition, making HSC Chemistry Sim compliant would bring benefits, such as an extended process modelling component library, and perhaps more publicity. Obviously, the workload required by the changes depends on the chosen path, which invariably entails a lengthy learning curve. This thesis contributes by helping to make that learning curve shorter.Kemiallisten prosessien mallinnusta ja simulointia käytetään kemiallisten tuotantolaitosten suunnittelussa työvälineinä ja niiden avulla voidaan arvioida eri suunnitteluvaihtoehtojen mielekkyyttä. CAPE-OPEN rajapintastandardit on kehitetty mahdollistamaan mallinnuskomponenttien käyttöönotto ja hyödyntäminen missä tahansa yhteensopivassa, standardia noudattavassa, prosessinmallinnusohjelmistossa. Tässä työssä tutkittiin CAPE-OPEN rajapintojen ja .NET -sovelluskehyksen tarjoamia mahdollisuuksia simulointiohjelmistosta riippumattomien, standardia noudattavien, prosessinmallinnuskomponenttien, erityisesti yksikköoperaatioiden kehittämiseen. Ohjelmistoteknisesti yksikköoperaatio on fyysisen prosessilaitteen kuvaus, joka pitää sisällään kyseisen laitteen toiminnan matemaattisen mallin. Osoitetuksi tulee, että erot CAPE-OPEN rajapintastandardien ja Outotec HSC Chemistry Sim -simulointisovelluksen välillä ovat käsitteellisellä tasolla pieniä. Toisaalta, toteutustasolla erot ovat suuria. Riippumatta käytettävästä simulointiohjelmistosta yksikköoperaatioiden mallien kehittäminen vaatii lähtökohtaisesti poikkitieteellistä osaamista, ja onkin perustelua kehittää apuvälineitä, joilla yksikköoperaation mallien luominen olisi mahdollisimman vaivatonta. Työn tulosten perusteella voidaan sanoa, että CAPE-OPEN tarjoaa sekä vaihtoehtoja muuttaa nykyistä HSC Chemistry Simin toimintamallia että kehittäjille mahdollisuuden hahmottaa simulaattorin osien välinen vastuunjako uudessa valossa. Lisäksi, HSC Chemistry Simin muuttaminen yhteensopivaksi standardin kanssa toisi mukanaan etuja, kuten laajennetun komponenttivalikoiman ja mahdollisesti enemmän julkisuutta. Muutoksiin liittyvä työmäärä riippuu valitusta kehityssuunnasta, mutta joka tapauksessa niihin liittyy kestoltaan huomattavan pitkä perehtymisvaihe, jota tämä työ osaltaan auttaa lyhentämään

Creation of a hydrological modelling environment to assist in the decision making of water-related activities

Thesis (M. Tech.) -- Central University of Technology, Free State, 2007In South Africa, water is a scarce resource and it has become very important to manage this resource effectively. The State developed a regulating framework, under the hospice of the Minister of Water Affairs and Forestry, which protects the country‟s water resources from over-exploitation by ensuring that it is protected, used, developed, conserved, and managed, in a sustainable and equitable manner. The laws and policies governing the use of water resources are contained in the National Water Act (South Africa, 1998), the National Water Policy (South Africa, 1997a), the National Water Resource Strategy, and the Water Services Act (South Africa, 1997b). In addition some water-related functions were transferred to Catchment Management Agencies and Water Users‟ Associations, and it is their task to ensure that the strategies, laws and policies are implemented. Effective water management can only be performed by making use of hydroinformatics which assists with simulations and estimations. As a result input data will be collected, added to a Relational Database Management System and output results generated. A Geographic Information System with the support of a geodatabase will allow users to store spatial and temporal data. The research project investigated different water-related data models (ArcHydro, Hydstra, GML, HYMOS, and WinHSPF), as well as hydrological modelling frameworks (BASINS, OMS, OpenMI, SPATSIM, and TIME) to determine whether they were adequate to assist with the decision making of water-related activities. It was found that these data models and hydrological modelling frameworks did not allow users to add new datasets to their existing data structures and in many cases only had a limited set of functions. For these reasons it was decided to develop a comprehensive, modifiable, geodatabase that will function in a modelling environment which will allow users to save their data in a centralised database. Additionally the functionality provided by other data models and modelling frameworks may be linked and used in the new modelling environment. A methodology that has been followed was to first establish the objectives of the research project, gather the necessary data, investigate various data models and hydrological modelling frameworks, determine the requirements for the modelling environment, design and create the modelling environment, design and create the geodatabase, and finally selecting the study area which will provide the research project with the necessary data. The following findings were made concerning the research project: firstly, that ArcHydro will be used as example data model to assist in designing the geodatabase. Secondly, that UML will be used as a development tool to assist with the development of the geodatabase. Thirdly, that the geodatabase will be generated from the XML schema and be made available to ArcCatalog. Fourthly, that data from different users/providers (Hydstra, Stats SA, Weather Bureau, Department of Water Affairs and Forestry, etc.) be inserted into the geodatabase. Fifthly, that any other hydrological modelling framework may make use of the data stored in the geodatabase. Finally, ArcGIS was selected as GIS application and Microsoft Access as a storage area

Integrated Model-Centric Decision Support System for Process Industries

To bring the advances in modeling, simulation and optimization environments (MSOEs), open-software architectures, and information technology closer to process industries, novel mechanisms and advanced software tools must be devised to simplify the definition of complex model-based problems. Synergistic interactions between complementary model-based software tools must be refined to unlock the potential of model-centric technologies in industries. This dissertation presents the conceptual definition of a single and consistent framework for integrated process decision support (IMCPSS) to facilitate the realistic formulation of related model-based engineering problems. Through the integration of data management, simulation, parameter estimation, data reconciliation, and optimization methods, this framework seeks to extend the viability of model-centric technologies within the industrial workplace. The main contribution is the conceptual definition and implementation of mechanisms to ease the formulation of large-scale data-driven/model-based problems: data model definitions (DMDs), problem formulation objects (PFOs) and process data objects (PDOs). These mechanisms allow the definition of problems in terms of physical variables; to embed plant data seamlessly into model-based problems; and to permit data transfer, re-usability, and synergy among different activities. A second contribution is the design and implementation of the problem definition environment (PDE). The PDE is a robust object-oriented software component that coordinates the problem formulation and the interaction between activities by means of a user-friendly interface. The PDE administers information contained in DMD and coordinates the creation of PFOs and PIFs. Last, this dissertation contributes a systematic integration of data pre-processing and conditioning techniques and MSOEs. The proposed process data management system (pDMS) implements such methodologies. All required manipulations are supervised by the PDE, which represents an important advantage when dealing with high volumes of data. The IMCPSS responds to the need for software tools centered in process engineers for which the complexity of using current modeling environments is a barrier for broader application of model-based activities. Consequently, the IMCPSS represents a valuable tool for process industries, as the facilitation of problem formulation is translated into incorporation of plant data in less error-prone manner, maximization of time dedicated to the analysis of processes, and exploitation of synergy among activities based on process models

Framework for operability assessment of production facilities: an application to a primary unit of a crude oil refinery

This work focuses on the development of a methodology for the optimization, control and operability of both existing and new production facilities through an integrated environment of different technologies like process simulation, optimization and control systems. Such an integrated environment not only creates opportunities for op¬erational decision making but also serves as training tool for the novice engineers. It enables them to apply engineering expertise to solve challenges unique to the process industries in a safe and virtual environment and also assist them to get familiarize with the existing control systems and to understand the fundamentals of the plant operation. The model-based methodology proposed in this work, starts with the implementation of first principle models for the process units on consideration. The process model is the core of the methodology. The state of art simulation technologies have been used to model the plant for both steady state and dynamic state conditions. The models are validated against the plant operating data to evaluate the reliability of the models. Then it is followed by rigorously posing a multi-optimization problem. In addition to the basic economic variables such as raw materials and operating costs, the so-called “triple-bottom-line” variables related with sustainable and environmental costs are incorporated into the objective function. The methodologies of Life Cycle Assessment (LCA) and Environmental Damage Assessment (EDA) are applied within the optimization problem. Subsequently the controllability of the plant for the optimum state of conditions is evaluated using the dynamic state simulations. Advanced supervisory control strategies like the Model Predictive Control (MPC) are also implemented above the basic regulatory control. Finally, the methodology is extended further to develop training simulator by integrating the simulation case study to the existing Distributed Control System (DCS). To demonstrate the effectiveness of the proposed methodology, an industrial case study of the primary unit of the crude oil refinery and a laboratory scale packed distillation unit is thoroughly investigated. The presented methodology is a promising approach for the operability study and optimization of production facilities and can be extended further for an intelligent and fully-supportable decision making

COBE's search for structure in the Big Bang

The launch of Cosmic Background Explorer (COBE) and the definition of Earth Observing System (EOS) are two of the major events at NASA-Goddard. The three experiments contained in COBE (Differential Microwave Radiometer (DMR), Far Infrared Absolute Spectrophotometer (FIRAS), and Diffuse Infrared Background Experiment (DIRBE)) are very important in measuring the big bang. DMR measures the isotropy of the cosmic background (direction of the radiation). FIRAS looks at the spectrum over the whole sky, searching for deviations, and DIRBE operates in the infrared part of the spectrum gathering evidence of the earliest galaxy formation. By special techniques, the radiation coming from the solar system will be distinguished from that of extragalactic origin. Unique graphics will be used to represent the temperature of the emitting material. A cosmic event will be modeled of such importance that it will affect cosmological theory for generations to come. EOS will monitor changes in the Earth's geophysics during a whole solar color cycle

A life cycle assessment and process system engineering integrated approach for sustainability : application to environmental evaluation of biofuel production

La méthode de l’Analyse du Cycle de Vie (ACV) est devenue ces dernières années un outil d’aide à la décision « environnementale » pour évaluer l’impact des produits et des processus associés. La pratique de l’ACV est documentée comme un outil pour l’évaluation d’impacts, la comparaison et la prise de décisions « orientée produit ». L’exploitation d’une telle méthode pour les procédés de l’industrie bio-physico-chimique a gagné récemment en popularité. Il existe de nombreux faisceaux d’amélioration et d’expansion pour sa mise en oeuvre pour l’évaluation des procédés industriels. L’étude s’attache à la production de biocarburant à partir de la plante Jatropha curcas L. selon une approche « attributionelle ». Cette étude présente l’évaluation environnementale d’un agro-procédé et discute de l’opportunité de coupler les concepts, les méthodes et les outils de l’ACV et de l’IPAO (Ingénierie des Procédés Assistés par Ordinateur). Une première partie présente l’ACV appliquée à l’agrochimie. L’état de la littérature apporte des enseignements sur les diverses études qui mettent en évidence le rôle et l’importance de l’ACV pour les produits et les différents agro-procédés. La substitution des carburants classiques par les biocarburants est considérée comme une voie potentielle de substitution aux énergies fossiles. Leur processus se doit d’être évalué au regard de l’impact environnemental et du paradigme du développement durable, en complément des critères classiques, économiques et politiques. La deuxième partie aborde notre étude ACV de la production du biocarburant à partir de la plante Jatropha. Cette évaluation englobe la culture et la récolte en Afrique, l’extraction de l’huile et la phase de production de biocarburants, jusqu’à son utilisation par un moteur à explosion. À cet effet, les normes ISO 14040 et 14044 sont respectées. Basée sur une perspective « midpoint » avec les méthodes de calcul d’impacts, Impact 2002+ et CML, nous fournissons les premiers résultats de la phase d’interprétation (GES, appauvrissement des ressources, la couche d’ozone, l’eutrophisation et l’acidification). Cette étude démontre le potentiel de production de biocarburants de deuxième génération à réduire l’impact environnemental. Dans le même temps, elle révèle que l’unité de transesterification est le plus impactant. Nous identifions les limites de notre application selon une approche ACV « pure ». Dans la troisième partie, nous discutons des bénéfices attendus du couplage de l’ACV et des méthodes de modélisation et de simulation de l’ingénierie des procédés. Nous suggérons alors une amélioration de l’approche environnementale des systèmes de production. Nous fournissons un cadre de travail intégrant les différents points de vue, système, processus et procédé afin d’évaluer les performances environnementales du produit. Un outil logiciel, SimLCA, est développé sur la base de l’environnement Excel et est validé par l’utilisation de la solution ACV SimaPro et du simulateur de procédés Prosim Plus. SimLCA permet un couplage ACV-simulation pour l’évaluation environnementale du système complet de production de biocarburant. Cette intégration multi-niveaux permet une interaction dynamique des données, paramètres et résultats de simulation. Différentes configurations et scénarios sont discutés afin d’étudier l’influence de l’unité fonctionnelle et d’un paramètre de procédé. La quatrième partie établit la conclusion générale et trace les perspectives. ABSTRACT : With the rise of global warming issues due to the increase of the greenhouse gas emission and more generally with growing importance granted to sustainable development, process system engineering (PSE) has turned to think more and more environmentally. Indeed, the chemical engineer has now taken into account not only the economic criteria of the process, but also its environmental and social performances. On the other hand LCA is a method used to evaluate the potential impacts on the environment of a product, process, or activity throughout its life cycle. The research here focused on coupling of PSE domain with the environmental analysis of agricultural and chemical activities and abatement strategies for agro-processes with the help of computer aided tools and models. Among many approaches, the coupling of PSE and LCA is investigated here because it is viewed as a good instrument to evaluate the environmental performance of different unitary processes and whole process. The coupling can be of different nature depending on the focus of the study. The main objective is to define an innovative LCA based on approach for a deep integration of product, process and system perspectives. We selected a PSE embedded LCA and proposed a framework that would lead to an improved eco-analysis, eco-design and eco-decision of business processes and resulted products for researchers and engineers. In the first place we evaluate biodiesel for environmental analysis with the help of field data, background data and impact methodologies. Through this environmental evaluation, we identify the hotspot in the whole production system. To complement the experimental data this hotspot (i.e. transesterification) is selected for further modeling and simulation. For results validation, we also implement LCA in a dedicated tool (SimaPro) and simulation in a PSE simulation tool (Prosim Plus). Finally we develop a tool (SimLCA) dedicated to the LCA by using PSE tools and methodologies. This development of SimLCA framework can serve as a step forward for determination of sustainability and eco-efficient designing