ABSTRACT

This chapter describes the basis for and implementation of spreadsheet programs to calculate equilibrium concentrations of reactants and products for situations ranging from pure water to solutions containing a monoprotic strong acid, a monoprotic strong base, and any or all forms of up to three weak acids with up to six acidic hydrogens without and with correction for effects of ionic strength. The discussion begins with preview of equations to be discussed and an overview of a program to do calculations for the foregoing situations, including a description of the input section of the program. It continues with examples of calculations without and with correction for ionic strength. The discussion continues with descriptions of an iterative program used to solve a charge balance equation for the hydrogen ion concentration. It continues with a detailed description of the charge-balance equation and a discussion of procedures used to calculate the ionic strength. The chapter concludes with discussions of activity coefficients and relationships between activity-based, thermodynamic, and concentration-based, conditional, deprotonation constants.