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Details of Grant 

EPSRC Reference: GR/S21472/01
Title: Molecular assembly in nucleating solutions: a combined neutron scattering and molecular modelling approach
Principal Investigator: Davey, Professor R
Other Investigators:
Finney, Professor JL
Researcher Co-Investigators:
Professor PD Bailey Professor A Gavezzotti
Project Partners:
Department: Chem Eng and Analytical Science
Organisation: University of Manchester, The
Scheme: Standard Research (Pre-FEC)
Starts: 01 June 2003 Ends: 30 September 2006 Value (£): 326,950
EPSRC Research Topic Classifications:
Particle Technology
EPSRC Industrial Sector Classifications:
Chemicals Food and Drink
Pharmaceuticals and Biotechnology No relevance to Underpinning Sectors
Related Grants:
Panel History:  
Summary on Grant Application Form
The existence of a relationship between molecular aggregation in fluids and the process of crystal nucleation is a topic of fundamental scientific and technological importance. The development, over the last decade of combined neutron scattering and empirical potential structure refinement (EPSR) for the study of solvent-solute, solute-solute and solvent-solvent interactions in solution at last gives the opportunity of determining the precise, time-averaged, structure of a metastable, supersaturated solution. By using such data as the starting point for molecular dynamics simulations it will then be possible to derive a realistic picture of the time resolved behaviour of a solution undergoing nucleation. The overall aim is to generate significant new understanding of the structural aspects of the nucleation process. This new, molecular level understanding will be essential for the development of new options for the control of processes involving crystallisation and solidification which are used widely thorughout the chemcial and process industries.
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Organisation Website: http://www.man.ac.uk