Key Research Interests and Expertise

Chemical thermodynamics of aqueous solutions; activity coefficient models and their application to problems in gas/aerosol partitioning in the atmosphere and air quality, brine chemistry, and solubility phenomena; predictive methods for physical properties of pure compounds (such as vapour pressures), and aqueous solutions; measurements of the properties of single aerosol particles using electrodynamic balances. 

Extended Aerosol Inorganics Model (E-AIM)

The thermodynamic and gas/aerosol partitioning models that are results of my work can be accessed and used interactively from the E-AIM site at http://www.aim.env.uea.ac.uk/aim/aim.php. Some of the data on which the models are based - for inorganic electrolyte mixtures, and for dicarboxylic acids - are tabulated on the site together with: (i) interactive vapour pressure and liquid density estimators for organic compounds, and (ii) a water activity calculator for aqueous dicarboxlylic acids.

 

Significant Publications

  • Clegg, S.L., Kleeman, M.J., Griffin, R.J. and Seinfeld, J.H. (2008) Effects of uncertainties in the thermodynamic properties of aerosol components in an air quality model - Part 2: Predictions of the vapour pressures of organic compounds. Atmospheric Chemistry and Physics, 8 (4), 1087-1103.
  • S. L. Clegg and J. H. Seinfeld (2006) Thermodynamic models of aqueous solutions containing inorganic electrolytes and dicarboxylic acids at 298.15 K. I. The acids as non-dissociating components. J. Phys. Chem. A 110, 5692-5717. DOI: 10.1021/jp056150j
  • S. L. Clegg and J. H. Seinfeld (2004) Improvement of the Zdanovskii-Stokes-Robinson model for mixtures containing solutes of different charge types. J. Phys. Chem. A 108, 1008-1017. DOI: 10.1021/jp030827q
  • A. S. Wexler and S. L. Clegg (2002) Atmospheric aerosol models for systems including the ions H+, NH4+, Na+, SO42-, NO3-, Cl-, Br-, and H2O. J. Geophys. Res.-Atmos. 107, D14, Art. No. 4207. DOI: 10.1029/2001JD000451
  • J. A. Rard, S. L. Clegg, and D. A. Palmer (2000) Isopiestic determination of the osmotic coefficients of Na2SO4(aq) at 25 and 50 degrees C, and representation with ion-interaction (Pitzer) and mole fraction thermodynamic models J. Solut. Chem. 29, 1-49.
  • D. R. Cocker, S. L. Clegg, R. C. Flagan and J. H. Seinfeld (2001) The effect of water on gas-particle partitioning of secondary organic aerosol. Part I: alpha-pinene/ozone system. Atmos. Environ. 35, 6049-6072. DOI:10.1016/S1352-2310(01)00404-6 
  • S. L. Clegg and J. M. Simonson (2001) A BET model of the thermodynamics of aqueous multicomponent solutions at extreme concentration. J. Chem. Thermodyn. 33, 1457-1472.


Publications: EPrints Digital Repository

ID: 43269