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Supercritical aqueous systems as media for a new generation of environmentally beneficially technologies: structure, phase behaviour, and thermodynamics

Ziel

The main research objective of the project is to obtain comprehensive information on the structure and properties of the most important binary and ternary aqueous systems relevant to emerging technological applications (heterogeneous SCWO, biomass conversion, supercritical extraction of pollutants from aqueous solutions, a.o.) at temperatures and pressures up to 650 C and 100MPa using synergistically computational techniques and experimental equipment available at the six research groups participating in the project.

Scientific objectives include the full coverage of related properties from the microscopic structure to phase behaviour and hydrodynamic features, including the integration of knowledge and methods in a single electronic tool at the final stage of the project. This information will help to understand on a fundamental atomic level many important phenomena, such as hydrogen bonding in supercritical aqueous fluids; effects of temperature, pressure, and composition on destruction and gasification of various organic substances (cellulose, lignin, hazardous wastes); technological benefits and design opportunities provided by fractionation of different substances by changing thermodynamic parameters of the process. The hydrodynamic part of the joint effort will provide the basic knowledge for assessment of the environmental impact of depressurisation of pipelines and reactors containing supercritical aqueous systems (SCAS). The systems involved include the following groups of ternary and corresponding binary systems: H2O-CO2-gas (H2, CH4, O2, CH3OH), H2O-CO2-salt/base (NaCl, KCl, K2CO3, KOH), H2O-salt1-salt2 (K2CO3-K2SO4, KCl-K2SO4).

The main expected research results include new equations of state for ternary SCAS, classification of phase behaviour of SCAS, new experimental data and data of computer simulations, novel computer codes. The suggested combination of research tasks will help to analyse, interpret and predict thermodynamic data for biomass (straw, wood, sewage sludge) conversion in hot compressed aqueous solutions and for various SCWO technologies, as well as to identify atomic mechanisms of processes in supercritical aqueous systems and to give a solution to the salt plugging problem in SCWO reactors. The innovative nature of the project is stressed by the fact that this is the first attempt of a comprehensive study of representative supercritical aqueous systems related to emerging technologies by combining several most advanced and complementary computer modelling techniques and experimental methods. Apart from the interdisciplinary scientific results, the study aims to present the scientifically capacious information on SCAS in aggregated electronic tool form (SCAS-tool) for design applications of the new generation of environmentally beneficial technologies. The undertaking the international research work will be of mutual benefit for all of the participants. Project realisation will help to take roots in some of the very promising new technologies for environmental protection both in the FSU and in the EU.

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Universität Köln
EU-Beitrag
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Adresse
Luxemburger Str. 116
50939 Köln
Deutschland

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Letzte Aktualisierung: 30 Oktober 2002

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Permalink: https://cordis.europa.eu/project/id/INTAS-2000-00640/de

European Union, 2024