On March 9 and 10, 2006 CO-LaN held the 3rd CAPE-OPEN European Conference in conjunction with the CO-LaN Annual General Meeting. More than 50 people attended these events. Here is the agenda of these two days.

Annual General Meeting 2006

• Reports by Werner Merk (CO-LaN President) and Bertrand Braunschweig (CO-LaN Treasurer)

3rd CAPE-OPEN European Conference

The objective of the Showcase is to celebrate the progress that has been made in achieving commercial interoperability via the CAPE-OPEN standards. The emphasis is on demonstration as well as presentation and the emphasis in the demonstration is on interoperability rather than functionality.

Session 1

• Interoperability Support SIG achievements in 2005 by Peter Banks (BP)

• A look into the CAPE-OPEN kitchen of COCO by Dr Jasper van Baten (Amsterchem)
  Abstract: COCO by AmsterCHEM is a component based CAPE-OPEN simulation environment. It implements a flow sheeting environment, unit operations, a thermodynamics package, and a reaction package manager. The presentation shows an overview, test cases and demonstrates interoperability. COCO has proven to be a valuable tool for development and interoperability testing.

• HIDiC in Aspen Plus by Gregor Fernholz (PSE Ltd) and Michel Pons (CO-LaN CTO)
  Abstract: One of the major achievements of CAPE-OPEN is certainly the enhanced inter-operability of simulation software packages enabling the end user to simultaneously take full advantage of the strengths of several software packages and to minimise the model implementation effort at the same time. This presentation demonstrates how a rigorous state-of-the-art model of a heat integrated distillation column (HiDiC) is implemented and simulated in gPROMS, exported into a CAPE-OPEN Unit plug and finally used in an Aspen Plus flowsheet.

• Beyond compliance by Joseph Holmes (HTRI)
  Abstract: The focus of the talk is to encourage the software vendors and CO-LaN itself to look at issues beyond technical compliance with the CAPE-OPEN standards to drive acceptance of these interfaces in the marketplace. The paper presents some examples of work HTRI is doing in this direction.

• CAPE and Property Packages: Air Liquide approach by Philippe Arpentinier (Air Liquide) Abstract: The presentation summarizes first the evolution of the Air Liquide demand for thermodynamic properties (pure substances and mixtures) since the beginning of the nineties and the main difficulties currently encountered in R&D as well as in the Engineering Department for the estimation of thermodynamic properties and more generally on the level of process simulation due to the large variety of situations met with a lack of structure and tools for storage and re-use of information. Then the main actions decided to answer to the evolution of the demand for thermodynamic properties and to solve the current difficulties are presented: i) adoption of a thermodynamic standard usable at each step of the cycle of development of a process (pure substances: DIPPR; mixtures: Simulis-Prosim), ii) development of the concept of open "thermodynamic property package" dedicated to an application (interoperability of models, reproducibility of results, perpetuation of the in-house knowledge, improvement of the quality of accessible information for a relevant later re-use), iii) adaptation of the existing tools and development of the new tools with the CAPE-OPEN standard.

• UniSim CAPE-OPEN Thermo and Unit Operation by Murugesh Palanisamy (HTSL)
  Abstract: With UniSim CAPE-OPEN as an extension to UniSim Design Suite, simulation solutions will be enhanced providing customers to access other chemical process models built based on the CAPE-OPEN interface standard. UniSim CAPE-OPEN comprises UniSim CAPE-OPEN Socket and UniSim CAPE Thermo Plug In. UniSim CAPE-OPEN socket allows any third party CAPE-OPEN compliant Thermo packages and Unit Operations to plug and play within UniSim Flow sheeting environment. For example, a complex unit operation model built using gPROMS can be plugged into UniSim steady state design suite with which process capabilities of gPROMS could be used. Further, UniSim flow sheet can also leverage other vendor thermo property packages like InfoChem MultiFlash equilibrium package capabilities through UniSim CAPE Thermo Socket interface. Besides, UniSim’s powerful advanced thermo engine can be packaged and exported as CAPE compliant Thermo component and can be made available to other simulator vendor’s packages.

• INDISS with Thermo and Unit by Didier Paen (RSI)
  Abstract: RSI is involved in CAPE-OPEN Unit SIG and has developed inside INDISS Process Modeling Environment an implementation of dynamic CAPE-OPEN unit operations. The latest development done is the steady state resolution with CAPE-OPEN unit operations. Steady state resolution is adapted for initialization of dynamic simulation, but the switch to dynamic resolution requires some specific constraints on network. After steady state resolution, the dynamic mode can be activated to test transient behaviour. This feature has been used with IFP CAPE-OPEN pipelines. Tests have been done also with external thermodynamic packages as Simulis Thermodynamics from Prosim SA and we are now evaluating testing solutions with CO-LaN support.

Session 2

• Thermodynamic SIG achievements in 2005 by Werner Drewitz (BASF AG)

• The CAPE-OPEN interface to COSMO-RS, a novel a priori predictive method for solution phenomena and fluid phase thermodynamics by Frank Eckert (Cosmologic), Jasper van Baten (Amsterchem), Richard Baur (Amsterchem)
  Abstract: The CAPE-OPEN interface to the COSMOtherm program is presented. COSMOtherm is the premium software of the COSMO-RS method [1], which is a novel method for the a priori prediction of activity coefficients and vapor pressures of almost arbitrary chemical compounds in liquid solvents and mixtures.

• SolidSim - A novel simulation system makes use of the CAPE-OPEN standard by M.Pogodda, C. Reimers, D. Schwier, E.-U. Hartge, J. Werther, G. Gruhn (Hamburg Technical University)
  Abstract: To improve the acceptance of the novel simulation system SolidSim interoperability with established simulation systems and thermodynamic packages was an important point. This presentation gives a short summary on how this was achieved using the CAPE-OPEN standards. The difficulties which originate from the fact SolidSim is focusing on processes including solids are outlined. Special focus is put on the integration of physical property packages since simulations can only be performed if all necessary physical properties are available. By way of example the interoperability with Multiflash using the 1.1 CAPE-OPEN thermo standard is demonstrated.

• An industrial case study for the upgrade of an existing software interface to the CAPE-OPEN standard by Alan Scott (TÜV-NEL)
  Abstract: This presentation describes a project involving TUV NEL Ltd (suppliers of PPDS software), ABB Engineering Solutions (suppliers of PEL software) and INEOS Fluor (licencees of PEL and ASPEN Plus software). INEOS Fluor is a leading supplier of specialist services in Fluorine based processes. For many years the company has licenced modules from the PEL software suite for general applications, and also use Aspen Plus for some simulation projects. Specific thermo models have been developed within the PEL software for some key processes. To access these models, an interface was written (by ABB-PEL) to provide this information to Aspen Plus in the form of User Models. More recently the PEL software has been adapted to use the PPDS ThermoServer as the property and phase equilibrium calculation engine. The new models were also added to the PPDS code. Although the Aspen Plus interface could have been rewritten, it was decided that this provided an excellent opportunity to use the CAPE-OPEN methodology to provide a flexible and easily maintainable interface. The presentation gives a full example of creating a Property Package, and running a typical calculation directly in PEL-PhysPack and then the same calculation within a simulation in Aspen Plus through the CAPE-OPEN interface.

• Beyond VLE – a CO Thermo 1.1 Property Package using MultiFlash by Richard Szczepanski (Infochem)
  Abstract:: One of the important objectives of the latest CO 1.1 Thermo standard is to extend and generalize the types of phase equilibrium calculations that can be handled. This presentation reports on the practical experience of producing a Property Package implementing the new standard and show examples of calculations involving multiple liquid and solid phases.

Session 3

• UNIT SIG achievements in 2005 by Richard Baur (Shell Global Solutions)

• gPROMS CAPE-OPEN Unit socket as applied in the VPDM project by Thomas Williams (PSE Ltd)
  Abstract: The Virtual Plant Demonstration Model (VPDM) Project is a major on-going collaborative R&D initiative in the UK power industry. Its main aim is to support "arms-length" inter-organisational collaborative modelling, allowing companies to make their models available in a strictly controlled manner to collaborating organisations, with which they may potentially be competitors in different contexts. VPDM has adopted the CAPE-OPEN standards. The presentation describes three software packages that PSE have developed to support this project: a CAPE-OPEN unit socket for gPROMS, a simple framework for making legacy unit codes CAPE-OPEN compliant and a framework for making CAPE-OPEN units available securely over the internet.

• ChemSep in motion by Harry Kooijman (ChemSep)
  Abstract: Report is made of the progress on the interoperability of the ChemSep CAPE-OPEN Unit Operation with commercial flowsheeting packages Aspen Plus (AspenTech), PRO/II (SIMSCI), and Aspen HYSYS (AspenTech), as well as with the flowsheeting package COCO (AmsterCHEM) which was designed completely from CAPE-OPEN principles. A simple C3/C4 splitter with a purity specification is used as a test case. Tested was the capability to run the ChemSep column unit operation in the flowsheeter, whether it was possible to obtain thermodynamics and pure component data from the flowsheeter, and whether the flowsheeter allowed changing the ports of the unit (that is feeds/products of the column). All column operations give very similar numerical answers for the C3/C4 splitter test case. ChemSep LITE is now CAPE-OPEN and available for free, download it from www.chemsep.com. Interoperability of ChemSep-LITE and COCO was illustrated by simulation of a complete three column cryogenic Air Separation Unit with crude Argon production, using exclusively CAPE-OPEN unit operations and thermodynamics.

• Custom Process Unit Models in a Flowsheet Simulator - User Experiences by Wilma Hensen, Jan Willem Verwijs, Philippe Hayot (Dow)
  Abstract: A study has been done to incorporate generic custom models of a membrane unit and a trickle bed reactor (gPROMS, ACM) in an Aspen Plus flowsheet simulation. The presentation highlights experiences with respect to model initialisation and model re-initialisation (during flowsheet convergence iterations).

• The use of CAPE-OPEN modules – demonstrated in Aspen Plus by Martin Breil (DTU-IVC-SEP)
  Abstract: The IVC-SEP research centre has investigated and developed a thermodynamic Property Package containing four thermodynamic models. The strength of this package is that it offers its users the benefits of the CPA and PC-SAFT models. These thermodynamic models are capable of handling mixtures of compounds with strong hydrogen bonds (associating compounds), such as water, alcohols, or carboxylic acids. Besides the thermodynamic property package, the IVC-SEP has produced a unit operation that combines the built-in thermodynamic models of the process simulator with our own algorithm of the PT-flash.

Session 4

• Methods&Tools SIG by Bertrand Braunschweig (IFP)

• PLATINA by Pascal Roux and Martin Gainville
  Abstract: IFP and Total are involved in a collaborative R&D project whose aim is to develop a tool including platform and components to allow user to perform steady state and transient simulation of multiphase flow from the reservoir to the top side facilities. One of the main idea is to address the issue of consistent data set and physical models (thermodynamic and hydrodynamic) in the field of flow assurance. A live demonstration is performed on a real case. The assembly of native and CAPE-OPEN Unit operation demonstrates inter operability. Moreover, interchangeability is shown while changing thermodynamic component from INDISS native thermodynamic to MultiFlash.

• Distributed CAPE-OPEN Simulation of Oilfield Production Networks on PC Clusters by Laurent Pigeon
  Abstract: Process simulations are more and more evolving to characterize the transient behaviours of unit operations composing a process flowsheet. Such simulations might require a huge computational effort in order to sustain the accuracy of some of the unit operations. Pipe unit operations represent a good example of them. Depending of the requested accuracy and the complexity of their model (number of meshes, inner iteration loop to solve flow/pressure equations), the completion of one time step for only one unit operation can require several seconds. Previous results based on steady state simulations have proved that such CAPE-OPEN simulations can benefit (in terms of performance) from being launched in a distributed way using clusters of PCs oriented architecture. We will present our approach to solve this problem on CAPE-OPEN compliant dynamic simulations. We also propose a demo, based on INDISS simulator, simulating oilfield production networks on a “little cluster” of workstations.

• IFP UNIT Wizard for C++ code by Pascal Roux
  Abstract: IFP has developed a Wizard to help engineers in the development of CAPE-OPEN Unit Operations. This tool was developed for internal use and it seemed worthwhile to give it to CO-LaN. The presentation focuses on the motivations of the development of such a tool and on a demonstration where a very simple unit operation is created and connected into PRO/II.

• Development of a CAPE-OPEN Complaint Process Modelling Environment and Process Modelling Components in Microsoft .NET by William Barrett
  Abstract: The CAPE-OPEN middleware standards were created to allow process modelling components (PMCs) developed by third parties to be used in any process modelling environment (PME) utilizing these standards. The CAPE-OPEN middleware standards were originally based upon both Microsoft’s Component Object Model (COM) and the Object Management Group’s (OMG) Common Object Broker Architecture (CORBA). Since the inception of the CAPE-OPEN project, Microsoft updated COM to the .NET Framework. This paper will discuss the implementation of PMCs in .NET and the interoperability issues associated with using COM-based CAPE-OPEN compliant PMCs in a .NET based PME, and the testing of .NET-based unit operations in the CAPE-OPEN Tester.

• Experiences on implementing CAPE-OPEN components using the .NET framework by Lars von Wedel (AixCAPE e.V.)
  Abstract: The .NET framework has been introduced a few years ago by Microsoft as the upcoming technology for software development on Microsoft Windows. Numerous changes and improvements over COM, the current middleware integrated into Windows, have been made available as part of this framework. The talk briefly introduces the underlying principles of the framework and important changes over current technology. Further, experiences from implementing a CAPE-OPEN compliant unit operation developed using .NET in combination with existing code written in C will be shared. Especially questions regarding infrastructural issues such as error handling, implementing persistence, and user interfaces will be discussed. The talk will summarize open issues to be resolved in order to achieve interoperability between CAPE-OPEN compliant PMEs and PMCs based on current COM an future .NET technology.