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Development of advanced polymerization process modeling, simulation, design and optimization tools

Objectif

As the Polymer industry becomes more global and competitive pressures are intensifying, European polymer manufacturers recognize that computer modelling is a key enabling technology in dealing with their current urgent needs regarding environment protection, cost reduction, product quality improvement, reduction of the time-to-market for new products improved safety global operation and competition. The present proposal aims at the development of an advanced simulation, design, parameter and state estimation, optimization and control software prototype (polyPROMS) for polymerization processes. polyPROMS will be used for the full-range of computer-aided process engineering activities including : research and development, process design, process simulation, process optimization, operator training and troubleshooting.
The "polyPROMS" software prototype was designed based on the following functional specifications: (i) a model-based approach to all stages of a polymerization process' lifecycle, (ii) a process model is the central repository of practically all process-related knowledge, (iii) use of a consistent model throughout the process lifecycle, and (iv) open software architecture.

All partners agreed that it was unrealistic for all software and model components of relevance to a polymerization modelling and control environment to be supplied by the members of the polyPROMS consortium, in particular for the period after the end of the project. In order to allow other parties to be able to use this environment within other tools as well as to integrate their tools and/or models within this environment, it was crucial to have open software architecture. gPROMS, the platform selected for the off-line tool development within the polyPROMS project, has already many interfaces in place, which allow embedding other tools within gPROMS as well as embedding gPROMS within other parties' tools. It must be pointed out that this open architecture should put the polyPROMS reference framework on a competitive edge in today's world market for optimal process solutions. In order to ensure model consistency and to minimize the model development effort, the "polyPROMS" software prototype should support multi-purpose process modelling, i.e. simulation (both steady-state and dynamic), optimization (both steady-state and dynamic, mixed integer/continuous), parameter estimation (from both steady-state and transient data), data reconciliation (both steady-state and dynamic), model-predictive control/dynamic optimization.

All modelling tools had the same, formally defined software interface that allowed them to be used together within polyPROMS. It is important to note that the material, chemistry and equipment modelling tools were separate, independent software components. This will allow modelling tools to be developed by a variety of sources, e.g. universities, commercial bodies, companies, etc., whilst being able to work together in one pre-defined software architecture. One specific achievement worth emphasising is that the graphical flowsheeting interface is a completely generic interface, i.e. not specific to polymerization processes. As a result, many of the developments to improve this interface will automatically benefit its use for polymerization processes, which guarantees further development, maintenance and support for this modelling environment beyond the project duration.

To summarize, the polyPROMS project achieved the following: 1. Development of generic kinetic mechanistic modelling tools simulating the dynamic and steady-state behavior of a wide range of polymerization processes. 2. Identification, selection and development of general-purpose computational tools for parameter and state estimation, process optimization and model-predictive control. 3. Development and validation of the "polyPROMS" advanced polymerization process modelling, simulation, design and optimization software prototype. Application to selected polymerization processes. 4. Demonstrated feasibility/benefit of the "polyPROMS" software prototype for performing all off-line/on-line activities based on a common model written in a general process modelling tool: (i) two case studies: Borstar (BOREALIS) and EPS (BASF): (a) the off-line activities included simulation, parameter estimation and optimization; (b) the on-line activities included optimization, soft-sensing and MPC. (ii) Put in place solid foundations for a general polymerization process modelling tool.

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CENTRE FOR RESEARCH AND TECHNOLOGY HELLAS
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