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Details of Grant 

EPSRC Reference: GR/K95659/01
Title: MODELLING PROCESSING PROPERTIES OF COMPLEX MOLECULAR IONIC PARTICULATE MATERIALS
Principal Investigator: Jackson, Dr RA
Other Investigators:
Roberts, Professor KJ
Researcher Co-Investigators:
Project Partners:
Department: Sch of Chemistry & Physics
Organisation: Keele University
Scheme: Standard Research (Pre-FEC)
Starts: 01 October 1996 Ends: 31 January 2000 Value (£): 139,832
EPSRC Research Topic Classifications:
Particle Technology
EPSRC Industrial Sector Classifications:
Aerospace, Defence and Marine Chemicals
Related Grants:
Panel History:  
Summary on Grant Application Form
The aim of the proposed research is to improve our understanding of the properties of complex molecular ionic materials using computer modelling methods. The properties of interest are those relevant to particle processing and include stability, elastic properties, and morphology. It will be first necessary to drive interatomic potentials to describe interatomic interactions in the material; these are currently unavailable. This will be done by empirical fitting to available structural information for the materials. Once potentials are available, bulk and surface properties of the materials will be calculated. From surface energies, equilibrium morphologies will be predicted, and from attachment energies, growth morphologies predicted. The data obtained will then be collated, for use in prediction of processing properties of the materials, all of which are extensively used industrially.Key Words: Chemical Engineering, Processing, Materials, Chemistry, Surfaces, Computer Modelling, Interatomic Potentials, Crystallisation, Morphology.
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Further Information:  
Organisation Website: http://www.keele.ac.uk