titrationCurves (version 0.1.0)

triwb_sa: Titration Curve for a Triprotic Weak Base

Description

This function calculates and plots the titration curve for a triprotic weak base analyte using a monoprotic strong acid as the titrant. The calculation uses a single master equation that finds the volume of titrant needed to achieve a fixed pH, as outlined in R. de Levie's Principles of Quantitative Chemical Analysis (McGraw-Hill, 1997).

Usage

triwb_sa(conc.base = 0.1, conc.acid = 0.1, pka1 = 4, pka2 = 7, pka3 = 10, pkw = 14, vol.base = 50, plot = TRUE, eqpt = FALSE, overlay = FALSE, ...)

Arguments

conc.base

Molar concentration of the triprotic weak base analyte; defaults to 0.10 M.

conc.acid

Molar concentration of the strong acid titrant; defaults to 0.10 M.

pka1

The pKa1 value for the triprotic weak base analyte's conjugat weak acid; defaults to a pKa1 of 4, or a pKb3 of 10.

pka2

The pKa2 value for the triprotic weak base analyte's conjugat weak acid; defaults to a pKa2 of 7, or a pKb2 of 7

pka3

The pKa3 value for the triprotic weak base analyte's conjugat weak acid; defaults to a pKa3 of 10, or a pKb1 of 4.

pkw

The pKw (or pKs) value for the solvent; defaults to water as a solvent with a pKw of 14.

vol.base

The iniital volume, in mL, of the solution that contains the weak acid analyte; defaults to 50.00 mL.

plot

Logical; if TRUE, plots the titration curve.

eqpt

Logical; if TRUE, draws a vertical line at the titration curve's equivalence point.

overlay

Logical; if TRUE, adds the current titration curve to the existing titration curve.

...

Additional arguments to pass to plot() function.

Value

A two-column data frame that contains the volume of titrant in the first column and the solution's pH in the second column. Also produces a plot of the titration curve with options to display the equivalence point and to overlay titration curves.

Examples

### Simple titration curve with equivalence points
ex8 = triwb_sa(eqpt = TRUE)
head(ex8)

### Overlay titration curves using different pKa1 and pKa2 values
triwb_sa(pka1 = 4, pka2 = 7, pka3 = 10, eqpt = TRUE)
triwb_sa(pka1 = 3, pka2 = 7, pka3 = 11, overlay = TRUE)
triwb_sa(pka1 = 5, pka2 = 7, pka3 = 9, overlay = TRUE)