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Multiple ligand-ion solutions: a guide for solution preparation and computer program understanding.

机译:多种配体离子溶液:溶液制备和计算机程序理解指南。

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This paper first gives an overview of the multitude of chemical reactions taking place in aqueous solutions with multiple ligands and ions. Then, recommendations to avoid pitfalls in preparing such solutions in daily laboratory work are summarized. Thereafter, the theoretical aspects for calculating multiple ligand-ion solutions are described in detail. Information necessary to perform corrections of the absolute stability constants for the influences of pH, ionic strength, and temperature are given. The calculation of apparent reaction constants for ligand-ion interactions by using the corrected absolute stability constants and considering all possible reactions between a ligand and an ion in an aqueous solution will be introduced. Thereafter, by employing the apparent reaction constants and an iterative method, the determination of multiple ligand-ion equilibria to find the desired ligand or ion concentrations are presented. Thus, this paper can be used as a guide to the principles of programs calculating multiple ligand-ion solutions, to choosing the appropriate program for one's special requirements, and to preparing multiple ligand-ion solutions properly.
机译:本文首先概述了在具有多个配体和离子的水溶液中发生的多种化学反应。然后,总结了避免在日常实验室工作中准备此类解决方案的陷阱的建议。此后,将详细描述用于计算多个配体离子溶液的理论方面。给出了针对pH,离子强度和温度影响进行绝对稳定常数校正所需的信息。将介绍通过使用校正后的绝对稳定性常数并考虑水溶液中配体与离子之间所有可能的反应来计算配体-离子相互作用的表观反应常数。此后,通过使用表观反应常数和迭代方法,提出了多种配体-离子平衡的测定,以找到所需的配体或离子浓度。因此,本文可作为计算多种配体离子溶液的程序原理,选择适合自己特殊需要的程序以及正确制备多种配体离子溶液的指南。

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