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Thermodynamic models of aqueous solutions containing inorganic electrolytes and dicarboxylic acids at 298.15 K. 1. The acids as nondissociating components
被引:121
作者:
Clegg, Simon L.
[1
]
Seinfeld, John H.
机构:
[1] Univ E Anglia, Sch Environm Sci, Norwich NR4 7TJ, Norfolk, England
[2] CALTECH, Dept Chem Engn, Pasadena, CA 91125 USA
基金:
英国自然环境研究理事会;
关键词:
D O I:
10.1021/jp056149k
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
Atmospheric aerosols contain a significant fraction of water-soluble organic compounds, including dicarboxylic acids. Water activities at similar to 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 (NH4) 2SO4, NH4NO3, 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.
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页码:5692 / 5717
页数:26
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