Modeling capabilities for

Fulfilling these needs will require a comprehensive mathematical modeling capability for both industry and the economy. 

Accurate self-consistent thermochemical data for the copper chlorides up to 200°C are required, in order to improve solubility calculations and electrochemical modelling capabilities for Aspen Plus and OLI software. Experimental work has been initiated at the University of Guelph, Canada and UOIT to determine a comprehensive thermochemical database, for solubility limits of OMIT, and aqueous cupric chloride versus chloride concentration and temperature using UV-VIS spectroscopy (Suppiah, 2008). The chloride ion is obtained by adding LiCl OMIT. The conditions of tests are primarily 25-200°C, up to 20 bars. Specialised equipment for this task is needed to reach elevated temperatures and pressures, because cupric chloride is chemically aggressive, and because changes in the solution concentrations must be made precisely. A titanium test cell has been custom made, including a UV-VIS spectrometer with sapphire windows, HPLC pumps and an automated injection system. The data acquired will be combined with past literature data for the cuprous chloride system to develop a self-consistent database for the copper (I) and copper (II) chloride-water systems. 

The COST728 Action (http //www.cost728.org) addressed key issues concerning the development of meso-scale modelling capabilities for air pollution... 

Two new relevant European COST Actions were also started recently this is COST 728 Enhancing meso-scale meteorological modelling capabilities for air pollution and dispersion applications (http //www.cost728.org/) (Sokhi et al., [584]) and COST 732 Quality Assurance and Improvement of Micro-Scale Meteorological Models (http //www.mi.uni - hamburg.de/Home.484.0.html) (Schatzmann, [562]). 

Sokhil, R., Baklanov, A., Clark, P., Joffre, S., Millan, M.M., and Schlunzen, K.H. (2005) Enhancing meso-scale meteorological modelling capabilities for air pollution and dispersion applications (COST 728), Short Papers of the 5th International Conference on Urban Air Quality Valencia, Spain, 29-31 March 2005, Plenary, 10-13. 

The capability of combined nanoscale spatial and millisecond time resolution provided by SAXS is clearly revealed by a study involving the absorption of bovine serum albumin (BSA) onto spherical polyelectrolyte brushes (SPB). The experiment also highlighted the requirement of an advanced modeling capability for the complete exploration of the time-resolved SAXS data. The quantity of absorbed protein per brush as a function of time was provided from the radial electron density profile of SPB, which has been previously derived from the time-resolved SAXS intensities. Furthermore, an unexpected subdiffusive motion of proteins in the tethered polyelectrolyte brushes has been revealed. A quantitative explanation of this sub-diffusive mode can be approached in terms of a simple model involving direct motions of proteins enclosed in the effective interaction potential of the polyelectrolyte chains. 

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