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Computational Methods for the Determination of Formation Constants

  • David J. Leggett

Part of the Modern Inorganic Chemistry book series (MICE)

Table of contents

  1. Front Matter
    Pages i-xvi
  2. David J. Leggett
    Pages 1-17
  3. Peter M. May, David R. Williams
    Pages 37-70
  4. D. D. Perrin, H. Stunzi
    Pages 71-97
  5. Alberto Vacca, Antonio Sabatini
    Pages 99-157
  6. David J. Leggett
    Pages 159-220
  7. L. Zekany, I. Nagypal
    Pages 291-353
  8. Alex Avdeef
    Pages 355-473
  9. Back Matter
    Pages 475-478

About this book

Introduction

This volume is concerned with methods that are available for the calculation of for­ mation constants, in particular computational procedures. Although graphical meth­ ods have considerable value in the exploration of primary (raw) data they have been overtaken by computational methods, which, for the most part, take primary data and return the refined formation constants. Graphical methods are now considered com­ plementary to these general computational procedures. This volume brings together programs that span the lifetime of computer-assisted determination of formation constants. On one hand the reader will find listings of programs that are derived from LETAGROP (b.l961) and the GAUSS-G/SCOGS (b. 1962) families. On the other hand programs are presented that are the newest mem­ bers of the SCOGS lineage and from the on-going MINIQUAD series. One program is presented that describes a computational approach to the classical Hedstrom­ Osterberg methods; another that takes care of electrode calibration in a simple yet rigorous manner. Potentiometry and spectrophotometry are the most popular experimental tech­ niques for equilibrium studies, and the programs in this volume reflect this. Four programs handle potentiometric data, two will process spectrophotometric data, and one makes use of both types of data separately or in combination.

Keywords

ITIES Ion copper gold metals

Editors and affiliations

  • David J. Leggett
    • 1
  1. 1.Texas DivisionDow Chemical USAFreeportUSA

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