Table 1 Parameters for the simulation of eqs. (18)–(22) and (23)–(26)
CO(NH2)2 | NH3 | \({{{{{{{{{\rm{NH}}}}}}}}}_{4}}^{+}\) | CO2 | \({{{{{{{{{\rm{HCO}}}}}}}}}_{3}}^{-}\) | H+ | OH− | \({{{{{{{{{\rm{HPO}}}}}}}}}_{4}}^{2-}\) | \({{{{{{{{\rm{H}}}}}}}}}_{2}{{{{{{{{{\rm{PO}}}}}}}}}_{4}}^{-}\) | |
|---|---|---|---|---|---|---|---|---|---|
\({D}_{i}^{w}\) (10−9 m2/s) | 1.38 | 1.50 | 1.96 | 1.67 | 1.19 | 9.31 | 5.27 | 0.76 | 0.96 |
\({c}_{i}^{\infty }\) (mM) | \({c}_{1}^{\infty }\) | 0 | 0 | 0 | 0 | \(1{0}^{-{{{{{{{{\rm{pH}}}}}}}}}^{\infty }}\) | \({K}_{w}/1{0}^{-{{{{{{{{\rm{pH}}}}}}}}}^{\infty }}\) | \(100/(1+\frac{{c}_{6}^{\infty }}{K{a}_{5}})\) | \(\frac{{c}_{6}^{\infty }{c}_{8}^{\infty }}{K{a}_{5}}\) |
Km = 23 mM | pKa2 = 9.25 | pKa3 = 6.35 | pKw = 14 | pKa5 = 7.21 | |||||
