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Aqueous solubility of a diatomic molecule as a function of its size & electronegativity difference

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Abstract

The aqueous solubility of a diatomic molecule as a function of its size & electronegativity difference is investigated. The electronegativity of a diatomic molecule will be calculated using five different electronegativity scales, namely, Pauling [1], Allred-Rochow [2], Mulliken [3, 4], Parr-Yang [5], and Sanderson [6, 7]. It is hypothesized here that at a given pH, temperature, and pressure, the solubility of a diatomic molecule in water will be a function of its polar character; in particular, electronegativity difference and of its molecular size. Different forms of the solubility function were tested; it was found that the solubility model, given by Eq. 3, which is based on different electronegativity scales and the molecular volume, adequately describes the aqueous solubility of alkali halides. The aqueous solubility of alkali halides exhibits maximum at the condition of high electronegativity difference and large molecular volume. On the other hand, the minimum solubility region is observed at very low molecular volume and medium to slightly high values of electronegativity difference. The minimum solubility is also observed at low value of electronegativity difference and high molecular volume. Finally, the general trend of solubility of alkali halides, based on the proposed model (Eq. 3) could be explained in terms of the trade-off between electrostatic interactions (solid lattice side) and the entropic effects (water side).

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Authors and Affiliations

  1. Head of the Department of Chemical Engineering, University of Hail, Hail, Saudi Arabia

    Kamal I. Al-Malah

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  1. Kamal I. Al-Malah
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Correspondence to Kamal I. Al-Malah.

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Al-Malah, K.I. Aqueous solubility of a diatomic molecule as a function of its size & electronegativity difference. J Mol Model 17, 325–331 (2011). https://doi.org/10.1007/s00894-010-0729-1

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  • DOI: https://doi.org/10.1007/s00894-010-0729-1

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