Organised by IOM Communications on behalf of the Materials Chemistry Committee of the Institute of Materials, Minerals and Mining
The complex chemistry associated with many industrial processes has made it very difficult to undertake the in-depth modelling necessary to provide total control and optimisation. Now, the availability of comprehensive thermodynamic databases and sophisticated software for the calculation of chemical and phase equilibria has made this possible. Compositions of input streams and process conditions can be tailored to improve the yield, the quality of the final product and to reduce energy requirements.
This two day symposium, organised in conjunction with SGTE (Scientific Group Thermodata Europe) is intended to provide scientists and engineers working in industry or in academic research with an up to date view of what can be achieved using state-of-the-art computational materials chemistry. The aim is to set the scene in terms of a review of current experimental capabilities, contrasting them with rapid developments of ab initio techniques. Discussion of the international effort in the construction of databases containing critically assessed data and their uses with software packages such as MTDATA, FactSage, Thermo-Calc and Pandat, will lead to specific case studies showing how such techniques have been used to develop tools for use by non-experts to design, control and monitor complex industrial processes.
The first day will be concerned with a discussion of the fundamentals of thermodynamics and phase diagrams, how experimental thermodynamic data can be critically assessed and represented using physics based models and their application to specific topics of current industrial interest. The second day, which will be run by SGTE, will provide delegates with an opportunity to learn more about the various software packages which can be used to understand materials behaviour and to simulate processes.