Page 198 - Thermodynamics of Biochemical Reactions

198 Mathernatica Solutions to Problems

ca1cdGmat::usage =
"calcdQnat [speciesmat-] produces the function of pH and ionic strength (is) that
gives the standard transformed Gibbs energy of formation of a reactant (sum
of species) at 298.15 K. The input speciesmat is a matrix that gives the
standard Gibbs energy of formation, the standard enthalpy of formation, the
electric charge, and the number of hydrogen atoms in each species. There
is a row in the matrix for each species of the reactant. gpfnsp is a list
of the functions for the species. Energies are expressed in kJ mo1*-1.";
calcdG3I::usage = "calcdG3I[reactantname-] produces the standard transformed Gibbs
energies of formation at 298 K, pH 7, and ionic strengths of 0, 0.10, and 0.25
M. The reactant name calls a function of pH and ionic strength or a constant.";
calcdG5pH::usage 11calcG5pH[reactantname-] produces the standard transformed
Gibbs energies of formation at 298 K, ionic strength 0.25 M and pHs 5, 6,
7, 8, and 9. The reactant name calls a function of pH and ionic strength.";
ca1cdHmat::usage = "calcdHmat[speciesmat-] produces the function of pH and ionic
strength that gives the standard transformed enthalpy of formation of a reactant (
sum of species) at 298.15 K. The input is a matrix that gives the standard
Gibbs energy of formation,the standard enthalpy of formation, the electric
charge,and the number of hydrogen atoms in the species in the reactant. There
is a row in the matrix for each species of the reactant. dhfnsp is a list
of the functions for the species. Energies are expressed in kJ m01"-1.";
calcdH3I::usage = m1calcdH31[reactanth-] produces the standard transformed
enthalpies of formation at 298 K,pH 7,and ionic strengths of O,O.lO,and 0.25 M.
The reactanth name calls a function of pH and ionic strength or a constant.";
calcdH5pH::usage = lmcalcdHpH[reactanth-] produces the standard transformed enthalpies
of formation at 298 K, ionic strength 0.25 M and pHs 5, 6, 7, 8, and 9. The
reactanth name with hf calls a function of pH and ionic strength or a constant.";
ca1ctrGerx::usage = E1calctrGerx[eg_,pHlist-,islist-] produces the standard
transformed Gibbs energy of reaction in kJ mol"-l at specified pHs
and ionic strengths for a biochemical equation typed in the form atp+
h2o+de==adp+pi. The names of the reactants call the corresponding
functions of pH and ionic strength. pHlist and islist can be lists.";
ca1ckprime::usage = "calckprime[e~,pHlist-,islist-] produces the apparent equilibrium
constant K' at specified pHs and ionic strengths for a biochemical equation typed
in the form atp+h2o+de==adp+pi. The names of the reactants call the corresponding
functions of pH and ionic strength. pHlist and islist can be lists.";
ca1cpK::usage = "CalCpK[SpeCieSmat_,no-,is-] calculates pKs of weak acids.";
calcdGHT::usage= "calcdGHT[speciesmat-] calculates the
effect of temperature on transformed thermodynamic properties.";
calcGef1sp::usage "ca~cGeflsp[equat-,pH_rionstr-,z1-,nHl-]
calculates the standard Gibbs energy of formation of
the species of a reactant made up of a single species.";
calcGef2sp::usage = 1'calcGef2sp[equat~,pH_,ionstr_,zl~,nHl~,pKO~]
calculates the standard Gibbs energies of formation of
the two species of a reactant made up of a two species.";
calcGef3sp::usage = "ca~cGef3sp[eguat~,pH~,ionstr~,z1~,nHl~,pKlO~,
pK201 calculates the standard Gibbs energies of formation of
the three species of a reactant made up of a three species.";
ca1cNHrx::usage = llcalcNHrx[eq-,pHlist-,islist-] calculates the change
in binding of hydrogen ions in a biochemical reaction.";
rxthermotab::usage = iirxthermotab[eq-,pHlist-,islist-] calculates a table of