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Secondary redox

NB: this is just a minimal set of predefined secondary redox reactions for H2S and CH4. Use GenericReactions.ReactionAqKinetic to define additional reactions.

Sulphur

PALEOaqchem.SecondaryRedox.ReactionRedoxH2S_O2 — Type
ReactionRedoxH2S_O2

Sulphide oxidation by oxygen.

O2 + 0.5 H2S -> 0.5 SO4 + H+

Rate:

R_H2S_O2 * O2_conc * H2S_conc (mol O2 m-3 yr-1)
Rate R_H2S_O2UnitsRefNotes
1.6e5(mol l-1)-1 yr-1(Van Cappellen and Wang, 1996)
3.65e6(mol l-1)-1 yr-1(Ozaki et al., 2011)
54e6(mol l-1)-1 yr-1(Romaniello and Derry, 2010)

Parameters

  • R_H2S_O2[Float64]=3650.0 ((mol m-3)-1 yr-1), default_value=3650.0, description="rate constant"
  • SIsotope[external, DataType]=PALEOboxes.ScalarData, default_value=PALEOboxes.ScalarData, allowed_values=Type[PALEOboxes.ScalarData, PALEOboxes.IsotopeLinear], description="disable / enable sulphur isotopes and specify isotope type"

Methods and Variables for default Parameters

  • do_redox_O2_H2S
    • redox_H2S_O2 (mol O2 yr-1), VT_ReactProperty, description="oxygen consumption (+ve) by H2S oxidation"
    • O2_conc (mol m-3), VT_ReactDependency, description="O2 concentration"
    • H2S_conc (mol m-3), VT_ReactDependency, description="H2S concentration"
    • volume (m3), VT_ReactDependency, description="box fluid volume"
  • RateStoich_redox_H2S_O2
    • redox_H2S_O2 (mol O2 yr-1), VT_ReactDependency, description="oxygen consumption (+ve) by H2S oxidation"
    • [O2_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_H2S_O2"
    • [H2S_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_H2S_O2"
    • [SO4_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_H2S_O2"
    • [TAlk_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_H2S_O2"
  • totals
    • redox_H2S_O2 (mol O2 yr-1), VT_ReactDependency, description="oxygen consumption (+ve) by H2S oxidation"
    • redox_H2S_O2_total (mol O2 yr-1), VT_ReactProperty, description="total oxygen consumption (+ve) by H2S oxidation"
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Methane

PALEOaqchem.SecondaryRedox.ReactionRedoxCH4_O2 — Type
ReactionRedoxCH4_O2

Methane oxidation by oxygen.

O2 + 0.5 CH4 -> 0.5 DIC (CO2) + H2O

Rate:

R_CH4_O2 * O2_conc * CH4_conc (mol O2 m-3 yr-1)
Rate R_CH4_O2UnitsRefNotes
1e10(mol l-1)-1 yr-1(Van Cappellen and Wang, 1996)
10e6(mol l-1)-1 yr-1TODO

Parameters

  • R_CH4_O2[Float64]=10000.0 ((mol m-3)-1 yr-1), default_value=10000.0, description="rate constant"
  • CIsotope[external, DataType]=PALEOboxes.ScalarData, default_value=PALEOboxes.ScalarData, allowed_values=Type[PALEOboxes.ScalarData, PALEOboxes.IsotopeLinear], description="disable / enable carbon isotopes and specify isotope type"

Methods and Variables for default Parameters

  • do_redox_O2_CH4
    • redox_CH4_O2 (mol O2 yr-1), VT_ReactProperty, description="oxygen consumption (+ve) by CH4 oxidation"
    • O2_conc (mol m-3), VT_ReactDependency, description="O2 concentration"
    • CH4_conc (mol m-3), VT_ReactDependency, description="CH4 concentration"
    • volume (m3), VT_ReactDependency, description="box fluid volume"
  • RateStoich_redox_CH4_O2
    • redox_CH4_O2 (mol O2 yr-1), VT_ReactDependency, description="oxygen consumption (+ve) by CH4 oxidation"
    • [O2_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_CH4_O2"
    • [CH4_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_CH4_O2"
    • [DIC_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_CH4_O2"
  • totals
    • redox_CH4_O2 (mol O2 yr-1), VT_ReactDependency, description="oxygen consumption (+ve) by CH4 oxidation"
    • redox_CH4_O2_total (mol O2 yr-1), VT_ReactProperty, description="total oxygen consumption (+ve) by CH4 oxidation"
source
PALEOaqchem.SecondaryRedox.ReactionRedoxCH4_SO4 — Type
ReactionRedoxCH4_SO4

Methane oxidation by sulphate (anaerobic methane oxidation).

SO4-- + CH4 + 2 H+ -> DIC + H2S + 2H2O

Rate

R_CH4_SO4 * SO4_conc * CH4_conc (mol C m-3 yr-1)
Rate R_CH4_SO4UnitsRefNotes
1e4(mol l-1)-1 yr-1(Van Cappellen and Wang, 1996)k17

Parameters

  • R_CH4_SO4[Float64]=10.0 ((mol m-3)-1 yr-1), default_value=10.0, description="rate constant"
  • CIsotope[external, DataType]=PALEOboxes.ScalarData, default_value=PALEOboxes.ScalarData, allowed_values=Type[PALEOboxes.ScalarData, PALEOboxes.IsotopeLinear], description="disable / enable carbon isotopes and specify isotope type"

Methods and Variables for default Parameters

  • do_redox_SO4_CH4
    • redox_CH4_SO4 (mol CH4/SO4 yr-1), VT_ReactProperty, description="sulphate consumption (+ve) by CH4 oxidation"
    • SO4_conc (mol m-3), VT_ReactDependency, description="SO4 concentration"
    • CH4_conc (mol m-3), VT_ReactDependency, description="CH4 concentration"
    • volume (m3), VT_ReactDependency, description="box fluid volume"
  • RateStoich_redox_CH4_SO4
    • redox_CH4_SO4 (mol CH4/SO4 yr-1), VT_ReactDependency, description="sulphate consumption (+ve) by CH4 oxidation"
    • [SO4_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_CH4_SO4"
    • [CH4_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_CH4_SO4"
    • [DIC_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_CH4_SO4"
    • [H2S_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_CH4_SO4"
    • [TAlk_sms] (mol yr-1), VT_ReactContributor, description="generated by RateStoich rate=redox_CH4_SO4"
  • totals
    • redox_CH4_SO4 (mol CH4/SO4 yr-1), VT_ReactDependency, description="sulphate consumption (+ve) by CH4 oxidation"
    • redox_CH4_SO4_total (mol CH4/SO4 yr-1), VT_ReactProperty, description="total sulphate consumption (+ve) by CH4 oxidation"
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