Simultaneous calculation of equilibrium constants and standard formation enthalpies from calorimetric data for systems with multiple equilibria in solution

被引：123

作者：

Gans, Peter ^{[1
]}

Sabatini, Antonio ^{[2
]}

Vacca, Alberto ^{[2
]}

机构：

[1] Proton Software, Leeds LS15 0HD, W Yorkshire, England

[2] Polo Sci Univ Firenze, Dipartimento Chim, I-50019 Sesto Fiorentino, Italy

来源：

JOURNAL OF SOLUTION CHEMISTRY | 2008年 / 37卷 / 04期

关键词：

formation enthalpy; equilibrium constant; calorimetry; computer program; hyperquad data;

D O I：

10.1007/s10953-008-9246-6

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 computer program Hyp Delta H is a general-purpose Windows (R) application designed to derive equilibrium constants and/or formation enthalpies of complexes from solution calorimetric data. Least-squares minimization is used with the analytically determined derivatives. The efficacy of the program is demonstrated by application to the calculation of formation constants and enthalpies for the formation of AgPy+ and AgPy2+, and also of CH(3)HgGly(+), CH(3)HgGlyH and (CH3Hg)(2)Gly(2+). The results are compared with published data.

引用

页码：467 / 476

页数：10

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