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Details of Grant 

EPSRC Reference: GR/R19328/01
Title: Surface Engineering of Particulate Materials Using Defect-Controlled Interface Modelling
Principal Investigator: Halfpenny, Dr P
Other Investigators:
Roberts, Professor KJ
Researcher Co-Investigators:
Project Partners:
Department: Pure and Applied Chemistry
Organisation: University of Strathclyde
Scheme: Standard Research (Pre-FEC)
Starts: 01 March 2002 Ends: 28 February 2005 Value (£): 110,447
EPSRC Research Topic Classifications:
Particle Technology
EPSRC Industrial Sector Classifications:
Chemicals No relevance to Underpinning Sectors
Pharmaceuticals and Biotechnology
Related Grants:
GR/R14491/01
Panel History:  
Summary on Grant Application Form
Funding is sought to improve our fundamental knowledge of crystallisation processes via the development of morphological modelling techniques together with nanoscale investigation of growth behaviour by atomic force microscopy (AFM). As the shape of individual particles (crystals) affects many important processing factors, the capability to tailor this to suit industrial requirements is highly desirable. To achieve this, calculations based on the energies between the crystallising entities are employed to predict particle shape, as modified by a series of different impurities, until the optimum morphology is obtained. This is cheaper and more systematic than traditional empirical methods and yields understanding of the molecular-scale factors controlling particle formation. However, accuracy is limited by considering only a birth and spread mechanism. It is therefore proposed to extend these techniques to spiral growth and to improve habit modification simulation by allowing impurities to be sited in the most energetically favourable manner via minimisation methods. Advanced AFM techniques will provide both experimental input into the modelling and verification of the simulations. The success of this work would offer significant benefits to the UK's speciality chemical business, giving the prospect of a full system design capability, based on particulate engineering at a molecular level.
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Organisation Website: http://www.strath.ac.uk