title: Thermodynamic models of aqueous solutions containing inorganic electrolytes and dicarboxylic acids at 298.15 K. 1. The acids as nondissociating components.
abstract: Atmospheric aerosols contain a significant fraction of water-soluble organic compounds, including dicarboxylic acids. Water activities at approximately 298.15 K (including data for highly supersaturated solutions) of oxalic, malonic, succinic, glutaric, maleic, malic, and methyl succinic acids are first correlated as a function of concentration, treating the acids as nondissociating components. Methods proposed by Clegg et al. (J. Aerosol. Sci. 2001, 32, 713-738), and by Clegg and Seinfeld (J. Phys. Chem. A 2004, 108, 1008-1017) for estimating water activities and solute activity coefficients in aqueous mixtures containing both electrolytes and uncharged solutes are then evaluated from comparisons with literature data. These data include water activities, solubilities, and determinations of the eutonic points of solutions containing up to five acids, and solutions containing one or more acids and the salts (NH(4))(2)SO(4), NH(4)NO(3), or NaCl. The extended Zdanovskii-Stokes-Robinson approach of Clegg and Seinfeld yields the more accurate predictions for aqueous mixtures containing dicarboxylic acids only, and for aqueous mixtures of the acids and salts (though by a lesser margin). A number of hybrid modeling approaches, which contain elements of both methods, are outlined.
authors.affiliation: School of Environmental Sciences, University of East Anglia, Norwich, UK. s.clegg@uea.ac.uk
authors.forename: Simon L
authors.initials: SL
authors.lastname: Clegg
authors.forename: John H
authors.initials: JH
authors.lastname: Seinfeld
mesh_terms: D000645:Ammonium Sulfate / Q000737:chemistry; D003998:Dicarboxylic Acids / Q000737:chemistry*; D004573:Electrolytes / Q000737:chemistry*; D008956:Models, Chemical; D009566:Nitrates / Q000737:chemistry; D012965:Sodium Chloride / Q000737:chemistry; D012996:Solutions / Q000737:chemistry; D013696:Temperature; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
chemical_list: D003998:Dicarboxylic Acids; D004573:Electrolytes; D009566:Nitrates; D012996:Solutions; D014867:Water; D012965:Sodium Chloride; D000645:Ammonium Sulfate; C006568:ammonium nitrate