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Speciation of Adenosine [Graphics:../Images/index_gr_100.gif]-triphosphate

Example 2.

ATP binds both [Graphics:../Images/index_gr_101.gif] and metal ions such as [Graphics:../Images/index_gr_102.gif] and presents a more complex example than the phosphoric acid example. Again, the system must be defined and makeInput[] is used to obtain the transpose of the stoichiometric number matrix [Graphics:../Images/index_gr_103.gif], the species vector, and the charge vector.

[Graphics:../Images/index_gr_104.gif]
[Graphics:../Images/index_gr_105.gif]
[Graphics:../Images/index_gr_106.gif]
[Graphics:../Images/index_gr_107.gif]
[Graphics:../Images/index_gr_108.gif]
[Graphics:../Images/index_gr_109.gif]

Again the parameters used by reactions[] must be defined. However, this time ATP is a biochemical reactant (i.e., it represents the sums of the molalities of the various ATP species) and as such is the entry for the parameter reactants. The vector pseudo specifies which of the species belong to the ATP pseudoisomer group. The values of [Graphics:../Images/index_gr_110.gif] for the species [Graphics:../Images/index_gr_111.gif] and [Graphics:../Images/index_gr_112.gif] have been constrained to be 7.0 and 3.0, respectively. In this case the transpose of the apparent stoichiometric number matrix [Graphics:../Images/index_gr_113.gif] as specified in ntprime should be set to {{1}}.

[Graphics:../Images/index_gr_114.gif]
[Graphics:../Images/index_gr_115.gif]
[Graphics:../Images/index_gr_116.gif]
[Graphics:../Images/index_gr_117.gif]
[Graphics:../Images/index_gr_120.gif]
[Graphics:../Images/index_gr_121.gif]
[Graphics:../Images/index_gr_122.gif]
[Graphics:../Images/index_gr_123.gif]
[Graphics:../Images/index_gr_124.gif]

As before, ionicEquilib[] is used to obtain the molalities m of the species at equilibrium.

[Graphics:../Images/index_gr_125.gif]
[Graphics:../Images/index_gr_126.gif]
[Graphics:../Images/index_gr_127.gif]

The mole fractions x within the ATP pseudoisomer group can be obtained by using the function moleFractions[]. All of the parameters have already been specified.

[Graphics:../Images/index_gr_128.gif]
[Graphics:../Images/index_gr_129.gif]
[Graphics:../Images/index_gr_130.gif]
[Graphics:../Images/index_gr_131.gif]


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