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Details of Grant 

EPSRC Reference: GR/N35991/01
Title: AN INTEGRATED METHODOLGY FOR ADVANCED THERMODYNAMICS IN PROCESS MODELLING
Principal Investigator: Adjiman, Professor CS
Other Investigators:
Pantelides, Professor CC Galindo, Professor A Jackson, Professor G
Researcher Co-Investigators:
Project Partners:
Department: Chemical Engineering
Organisation: Imperial College London
Scheme: Standard Research (Pre-FEC)
Starts: 02 October 2000 Ends: 01 April 2004 Value (£): 230,653
EPSRC Research Topic Classifications:
Design of Process systems
EPSRC Industrial Sector Classifications:
Pharmaceuticals and Biotechnology No relevance to Underpinning Sectors
Chemicals Manufacturing
Related Grants:
Panel History:  
Summary on Grant Application Form
The manufacture of high value-added products in a competitive manner requires the use of accurate process models which need to be based on advanced thermodynamic models that accurately predict the properties of these, often complex, materials Powerful property estimation frameworks, such as the SAFT equation of state, have become available in recent years. However, their widespread use in process design and operation has been limited by three unresolved issues of fundamental importance which we will address in this work:1. The lack of a systematic strategy to derive molecular models that are consistent with the SAFT framework will be remedied by formulating a general optimal model building problem and by using advanced optimisation techniques to obtain models that accurately DESCRIBE experimental measurements.2. The lack of reliable and efficient property evaluation procedures will be addressed through an analysis of the mathematical structure of the SAFT equations generated from the above model, and via the application of advanced numerical techniques.3. The high computational cost associated with the use of advanced thermodynamics models in process simulation and optimisation will be reduced by the development of theoretically sound techniques which do not entail loss of predictive accuracy.
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Organisation Website: http://www.imperial.ac.uk