Modeling of Protonation Constants of Linear Aliphatic Dicarboxylates Containing -S-Groups in Aqueous Chloride Salt Solutions,at Different Ionic Strengths,Using the SIT and Pitzer Equations and Empirical Relationships |
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| Authors: | Clemente Bretti Concetta De Stefano Frank J. Millero Silvio Sammartano |
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| Affiliation: | (1) Dipartimento di Chimica Inorganica, Chimica Analitica e Chimica Fisica, Università di Messina, Salita Sperone 31, 98166 Messina, Vill. S. Agata, Italy;(2) Rosenstiel School of Marine and Atmospheric Sciences, University of Miami, 4600 Rickenbacker Causeway, Miami, FL 33133, USA |
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| Abstract: | The protonation constants of ethylenedithiodiacetic, dithiodipropionic and dithiodibutyric acids were obtained from potentiometric measurements in NaCl(aq) (I≤5 mol⋅L−1) and (CH3)4NCl(aq) (I≤3 mol⋅L−1) at t=25 °C. Their dependences on ionic strength were modeled by the SIT and Pitzer approaches. The activity coefficients of the neutral species were obtained by solubility measurements. The literature values of the protonation constants of (HOOC)-(CH2) n -S-(CH2) n -(COOH) (n=1 to 3) and (HOOC)-(CH2)-S-(CH2) n -S-(CH2)-(COOH) (n=0 to 5) in NaCl(aq) and KCl(aq) (I≤3 mol⋅L−1) at 18 °C were also analyzed using the above approaches. Both the log 10 K i H and interaction parameter values follow simple linear trends as a function of certain structural characteristics of the ligands. Examples of modeling these trends are reported. Electronic Supplementary Material The online version of this article () contains supplementary material, which is available to authorized users. |
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| Keywords: | Thioacetates Protonation constants Solubility Activity coefficients SIT and Pitzer models Empirical relationships |
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