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

被引：20

作者：

Bretti, Clemente ^{[1
]}

De Stefano, Concetta ^{[1
]}

Millero, Frank J. ^{[2
]}

Sammartano, Silvio ^{[1
]}

机构：

[1] Univ Messina, Dipartimento Chim Inorgan Chim Analit & Chim Fis, I-98166 Messina, Vill S Agata, Italy

[2] Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Miami, FL 33133 USA

来源：

JOURNAL OF SOLUTION CHEMISTRY | 2008年 / 37卷 / 06期

基金：

美国国家科学基金会; 美国海洋和大气管理局;

关键词：

thioacetates; protonation constants; solubility; activity coefficients; SIT and Pitzer models; empirical relationships;

D O I：

10.1007/s10953-008-9273-3

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：

The protonation constants of ethylenedithiodiacetic, dithiodipropionic and dithiodibutyric acids were obtained from potentiometric measurements in NaCl(aq) (I <= 5 mol . L-1) and (CH3)(4)NCl(aq) (I <= 3 mol . L-1) at t = 25 degrees 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 degrees 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.

引用

页码：763 / 784

页数：22

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[2]

[Anonymous], 1991, ACTIVITY COEFFICIENT, DOI DOI 10.1201/9781351069472

[3]

[Anonymous], 1958, INTRO MULTIVARIATE S

[4]

[Anonymous], GUIDELINES EXTRAPOLA