Calculate dissolved inorganic carbon (DIC) and individual carbonate species in an open or closes system at equilibrium.

carbonic acid* = H2CO3* (aqueous CO2 + H2CO3)

bicarbonate = HCO3(-)

carbonate = CO3(2-)

calculate_DIC( pH, pCO2, `H2CO3*` = solubility * pCO2, solubility = calculate_gas_solubility("CO2", temperature), temperature = qty(25, "C"), pKa1 = 6.3, pKa2 = 10.3 ) calculate_carbonic_acid( pH, pCO2, DIC, solubility = calculate_gas_solubility("CO2", temperature), temperature = qty(25, "C"), pKa1 = 6.3, pKa2 = 10.3 ) calculate_bicarbonate( pH, pCO2, DIC, solubility = calculate_gas_solubility("CO2", temperature), temperature = qty(25, "C"), pKa1 = 6.3, pKa2 = 10.3 ) calculate_carbonate( pH, pCO2, DIC, solubility = calculate_gas_solubility("CO2", temperature), temperature = qty(25, "C"), pKa1 = 6.3, pKa2 = 10.3 )

pH | the pH of the system |
---|---|

pCO2 | the partial pressure of CO2 (a pressure quantity) |

H2CO3* | the concentration of H2CO3* (a molarity quantity), by default is calculated automatically from pCO2 |

solubility | the solubility of CO2, by default is determined based on the temperature of the system |

temperature | the temperature of the system, used to calculate the solubility constant |

pKa1 | the acid dissociation constant for H2CO3* |

pKa2 | the acid dissociation constant for bicarbonate (HCO3-) |

DIC | dissolved inorganic carbon (a molarity quantity) |

`calculate_DIC`

: calculates the concentration of dissolved inorganic carbon based on pH and either pCO2 or H2CO3*. Returns DIC as a molarity quantity.`calculate_carbonic_acid`

: calculates the concentration of carbonic acid (H2CO3*) based on pH and either pCO2 or DIC. Returns carbonic acid as a molarity quantity.`calculate_bicarbonate`

: calculates the concentration of bicarbonate based on pH and either pCO2 or DIC. Returns bicarbonate concentration as a molarity quantity.`calculate_carbonate`

: calculates the concentration of carbonate based on pH and either pCO2 or DIC. Returns carbonate concentration as a molarity quantity.

Other carbonate chemistry:
`closed_system`

,
`open_system`

#> <C (molarity concentration) in 'µM'[1]> #> [1] 79.38987#> <C (molarity concentration) in 'µM'[1]> #> [1] 165.8548#> <C (molarity concentration) in 'mM'[1]> #> [1] 6.014384