Deliverables Results of reactive experiments An experimental programme was executed in which different Project Partners were involved. This programme is a basis for testing and validation of the General Methodology and IDS suggested in the Project. The available equipment of the Partners was adjusted and used. Both known and modified geometry of internals were employed. An important parameter influencing the process selectivity and conversion is the ratio between catalyst volume and separation efficiency. It is also important to see the influence of the column throughput and hence of the residence time and/or amount of catalyst/amount of throughput (work rate of catalyst) on selectivity and conversion. The experiments provided data on concentration and temperature profiles of reactive separation columns under a variety of test conditions (pressure, flow rate, catalyst loading, catalyst type, size and shape). Developed internals It was one of the intentions to use the INTINT software tools to develop improved internals of optimal design regarding reaction capacity and separation performance to fit the needs of a particular reactive distillation system. However, this was not possible during the project due to a delay in the availability of the software. Therefore no modified internals have been developed based on the use of INTINT-software tools so far. Instead, based on the results of the reactive separation tests performed in the project and available knowledge, existing internals were selected from the supplier's product portfolio, which fitted the needs and requirements of the reaction system with respect to economics best. This quick and accurate selection helped to proceed in the project. INT1, INT3, INT4, INT5 were modified, produced and tested with all systems. From the simulation results the direction of modification/optimization can be derived. Results of the experimental study on hydraulics and mass transfer for the reactive column internals For the detailed design of reactive separation processes knowledge of the hydrodynamic and mass transfer characteristics of the applied catalytic column internals is essential. Experimental studies have been performed at different scales (lab and pilot scale) in order to determine relevant correlations for hydrodynamics and mass transfer of modern structured catalytic packings in different variants (known and modified geometry). The collected experimental data has been correlated. Correlations are available for pressure drop (dry and irrigated), liquid hold-up, residence time distribution, mass transfer coefficients and separation efficiency (HETP). Mass transfer coefficients have been determined for both gas and liquid phase. The correlations for all the considered catalytic column internals (known and modified geometry) are applied within the process simulator PROFILER and the data allows the validation of the CFD-Tool CFX-INTINT. Being validated based on such a wide experimental programme, CFX-INTINT makes possible the so-called virtual experiments with non-existing column internals (at the first design stage). Columns equipped with internals with known geometry and modified geometry were studied at different scales. The results are hydraulic parameters and mass transfer values. Among the internals studied are monoliths. TU Delft worked on the hydraulics and mass transfer of the monoliths; the results are presented in the deliverables. The experimental studies provide a wide experimental database and a large set of correlations describing hydrodynamics and mass transfer for all the considered column internals (known and modified geometry). Such an experimental background allows to validate the computational procedures of the software produced, namely CFX-INTINT and PROFILER. As a result, the time interval from the design concept to the final application of internals has been significantly shortened. Decision Supporting System ADVISER Decision Supporting System ADVISER is a software product designed for pre-selection of column internals in reactive separation processes. It can be used for the determination of preliminary specifications of packing in an early phase of design of reactive distillation column. The most important objective of ADVISER, as a part of Integrated Design System (IDS), is to deliver the detailed information of packing type and structure. ADVISER consists of three components: - Decision-supporting module, applying case-based reasoning for the recommendation of a solution (column packing), - Similarity tree editor for the determination of a degree of similarity between chemical compounds - Case-base editor for maintaining of the historical design data. The case base contains model design cases composed of data of industrial internals and patent information. The system has been implemented as an expert system shell. CFD-based Tool CFX-INTINT CFX-INTINT is a CFD (Computational Fluid Dynamics) based tool capable to replace certain hydrodynamics experiments by virtual experiments. The software allows the prediction of the resistance of the gas phase through the internals. It can be easily set up using a Graphical User Interface (GUI), which prompts the user for the basic geometry and physical parameters. In addition, a new module has been developed to simulate the flow of the liquid inside the catalytic packings and its interaction with the gas phase (one-way coupling). CFX-INTINT is based on the commercial CFD package CFX and will be made available as an additional feature to this software package. In addition, it can be made available via the IDS. The largest business opportunity for CFD software providers is not primarily the increased license fees due to the new modules developed in the project, but due to the higher number of overall licensees sold to the CPI and internals industry if the software proves to be successful. Rate-based process simulator PROFILER PROFILER is a rate-based process simulator for homogeneously and heterogeneously catalysed reactive separations. PROFILER provides the longitudinal profiles of process variables like component concentrations, temperatures, pressure, flow and reaction rates, etc. These data allow a user to design, size and optimise reactive separation columns. The rate-based modelling approach implies that actual rates of mass transport, heat transport and chemical reaction are taken into account, providing a better accuracy and physical relevance as compared to the traditional equilibrium stage models. PROFILER development is based on ASPEN Custom Modeler (ACM) by ASPEN Tech. The main reasons for the selection of ACM are the large database, flexibility of the tool, its spread and general acceptance by most of the partners. A graphical user interface including the option of flow sheet simulations (with pre-defined models) is a comfortable extension as compared to previous equation-oriented systems. The link to ASPEN Tech's PROPERTIES Plus provides a large physical properties database. Three different modelling depth are realised: the equilibrium-based modelling and the rate-based modelling with both effective diffusivities and the Maxwell-Stefan equations. A large database is offered for the selection of various catalytic and non-catalytic internals for the simulations. User-friendly forms, tables and graphs are available to facilitate the simulation input and output. The INTINT Project website The INTINT Project web-site ( http://www.cpi.umist.ac.uk/INTINT ) is mounted on a Windows 2000 server located in the Department of Process Integration, UMIST, UK. The site was established in order to provide an efficient and effective method of communication between project partners, and to disseminate information between partners and to the public. The framework and structure of the INTINT web site was established early in the project and disseminated to all project members. This was carried out to enable members to be aware of their input requirements for the project in relation to other members input, and the overall requirements of the project. The web site was then designed to reflect this framework and structure. Members have sent all information needed for the project to UMIST, where the material was converted to the required format and incorporated into the INTINT web site. The homepage of the INTINT Project web site includes links to the partners' web sites and a general menu of the contents of the INTINT site. The general contents currently include: - Introduction; - Partners; - Project Management and Results; - References. Searching for OpenAIRE data... There was an error trying to search data from OpenAIRE No results available
