bjerrum {seacarb}

Bjerrum plot

Description

Plot the concentration of the various ionic forms of a molecule as a function of pH

Usage

bjerrum(K1=K1(), K2=NULL, K3=NULL, phmin=2, phmax=12, by=0.1, conc=1, 
     type="l", col="black",  ylab="Relative concentration (%)", add=FALSE, ...)
     

Arguments

K1

First dissociation constant

K2

Second dissociation constant, default is NULL

K3

Third dissociation constant, default is NULL

phmin

Minimum pH value, default is 2

phmax

Maximum pH value, default is 12

by

Increment on the pH axis, default is 0.1

conc

concentration of molecule, default is 1

type

Type of plot, default is line

col

Color of plot, default is black

ylab

Label of Y axis, default is (mol/kg)

add

false:start new, true: add to current, default is false

...

Graphical parameters (see par) and any further arguments of plot, typically plot.default, may also be supplied as arguments to this function. Hence, the high-level graphics control arguments described under par and the arguments to title may be supplied to this function.

Details

Note that the concentration is plotted in mol/kg only if conc is given is mol/kg

Author(s)

Karline Soetaert [e-mail]

References

Zeebe, R. E. and Wolf-Gladrow D. A., 2001 CO2 in seawater: equilibrium, kinetics, isotopes. Amsterdam: Elsevier, 346 pp.

See Also

matplot, par, speciation.

Examples

## Plot the bjerrum plot for the carbonate system using the default values
bjerrum(K1(),K2(),main="DIC speciation",lwd=2) 
abline(v=-log10(K1()),col="grey")
mtext(side=3,at=-log10(K1()),"pK1")
abline(v=-log10(K2()),col="grey")
mtext(side=3,at=-log10(K2()),"pK2")
legend("left",lty=1:3,lwd=2,legend=c(expression(CO[2]),expression(HCO[3]^"-"),
	expression(CO[3]^"2-")))

## Plot the bjerrum plot for phosphate using the default values
bjerrum(K1p(),K2p(),K3p(),main="phosphate speciation",lwd=2)
legend("left",lty=1:4,lwd=2,legend=c(expression(H[3]~PO[4]),
	expression(H[2]~PO[4]^"-"),
expression(HPO[4]^"2-"),expression(PO[4]^"3-")))

## Plot the bjerrum plot for the carbonate system using the values other 
##	than the default ones, showing the effect of temperature
bjerrum(K1(T=25,S=35),K2(T=25,S=35),conc=1.3,main="effect of temperature" )
bjerrum(K1(T=0,S=35),K2(T=0,S=35),conc=1.3,add=TRUE,col="red")
legend("left",lty=1,col=c("black","red"),legend=c("T=25 oC","T=0 oC"))
legend("right",lty=1:3,legend=c(expression(CO[2]),expression(HCO[3]^"-"),
	expression(CO[3]^"2-")))

## Plot the bjerrum plot for the carbonate system using the values other 
##	than the default ones, showing the effect of salinity
bjerrum(K1(T=25,S=35),K2(T=25,S=35),conc=1.3,main="effect of salinity" )
bjerrum(K1(T=25,S=5),K2(T=25,S=5),conc=1.3,add=TRUE,col="blue")
legend("left",lty=1,col=c("black","blue"),legend=c("S=35","S=5"))
legend("right",lty=1:3,legend=c(expression(CO[2]),expression(HCO[3]^"-"),
	expression(CO[3]^"2-")))

## Plot the bjerrum plot for the carbonate system using the values other 
##	than the default ones, showing the effect of pressure
bjerrum(K1(P=0),K2(P=0),conc=1.3,main="effect of pressure" )
bjerrum(K1(P=300),K2(P=300),conc=1.3,add=TRUE,col="green")
legend("left",lty=1,col=c("black","green"),legend=c("P=0","P=300"),title="atm")
legend("right",lty=1:3,legend=c(expression(CO[2]),expression(HCO[3]^"-"),
	expression(CO[3]^"2-")))