H3A <=> H+ + H2A-
K1=[H3A][H+][H2A−]
[H3A]=K1K2K3[H+][H2A−]
H2A- <=> H+ + HA-2
K2=[H2A−][H+][HA2−]
[H2A−]=K2K3[H+]2[A3−]
HA-2 <=> H+ + A-3
K3=[HA2−][H+][A3−]
[HA2−]=K3[H+][A3−]
The equations to calculate the fractions of each species:
α1=[H3A]+[H2A−]+[HA2−]+[A3−][H3A]
α1=K1K2K3[H+]3[A3−]+K2K3[H+]2[A3−]+K3[H+][A3−]+[A3−]K1K2K3[H+]3[A3−]
α1=[H+]3+K1[H+]2+K1K2[H+]+K1K2K3[H+]3
The denominator is the same for all of the fractional species equations.
α2=denominatorK2K3[H+]2[A3−]
α2=K1[H+]3+[H+]2+[H+]K2+K2K3[H+]2
α3=denominatorK3[H+][A3−]
α3=K1K2[H+]3+K2[H+]2+[H+]+K3[H+]
α4=1–α1–α2−α3
Comments