Spreadsheet: 1f9a58ac-cb6b-447d-bc27-5be1149d0c56
Sheet: Proton reduction

 | Gibbs reaction energy of proton reduction by NADH or Fdred as a function of H2 concentration and temperature
 |  |  |  | Eo' |  |  |  |  |  | oC | K | Gn | pH neutrality
 | NAD+/NADH |  |  | -320 | from Thauer 1977 |  |  |  |  | 25 | 298.15 | -39.95 | 7
 | Fdox/Fdred |  |  | -400 | from Thauer 1977 |  |  |  |  | 70 |  | -42.07 | 6.41
 | H+/H2 |  |  | -414 | from Thauer 1977 |  |  |  |  | 100 |  | -43.78 | 6.13
 |  |  |  |  |  |  |  |  |  |  | ΔGo′ = ΔGo + ƲH+Gn |  | from Amend shock 2001
 | Faraday constant (J)
 | 96485.33
 | R gas constant (J/mol*K)
 | 8.3144621
 | H2 formation
 |  |  |  |  |  | Eo'
 | NADH/NAD+ |  |  | H+/H2 |  |  | mV
 |  |  |  | NAD+/NADH |  |  | mV
 |  |  |  |  |  |  |  | mV | Eo'
 |  |  |  |  |  |  |  | V
 |  |  |  |  |  |  | 2 |  | n
 |  |  |  |  |  |  | 96.485 | kJ | F
 |  |  |  |  |  | ΔGo′ |  | kJ |  | (25oC, pH7)
 | Fdox/Fdred |  |  |  |  | Eo'
 |  |  |  | H+/H2 |  |  | mV
 |  |  |  | Fdox/Fdred |  |  | mV
 |  |  |  |  |  |  |  | mV | Eo'
 |  |  |  |  |  |  |  | V
 |  |  |  |  |  |  | 2 |  | n
 |  |  |  |  |  |  | 96.485 | kJ | F
 |  |  |  |  |  | ΔGo′ |  | kJ |  | (25oC, pH7)
 | Gibbs reaction energy at different Temps.
 | enthalpie |  | ΔGo = ΔHo -TΔSo
 | NADH + H+  = NAD+ + H2
 |  | 25oC |  |  | ΔGo |  |  | from Burton 1974
 |  |  |  |  | ΔHo | 29.2 |  | from Burton 1974
 |  |  |  |  | T | 298.15 |  |  | (25oC)
 |  |  |  |  | ΔSo
 |  | at neutrality |  |  | ΔGo′ = ΔGo + RT ln([H+]). |  |  |  |  | pH |  |  | (25oC)
 |  |  |  |  |  |  |  |  |  | [H+]
 |  |  |  |  | ΔGo′
 |  | 70oC |  |  | ΔSo
 |  |  |  |  | ΔHo | 29.2
 |  |  |  |  | T
 |  |  |  |  | ΔGo
 |  | at neutrality |  |  | ΔGo′ |  |  |  |  | pH |  |  | (70oC)
 |  |  |  |  |  |  |  |  |  | [H+]
 |  | 100oC |  |  | ΔSo
 |  |  |  |  | ΔHo | 29.2
 |  |  |  |  | T
 |  |  |  |  | ΔGo
 |  | at neutrality |  |  | ΔGo′ |  |  |  |  | pH |  |  | (100oC)
 |  |  |  |  |  |  |  |  |  | [H+]
 | 2Fdox + H2 =2Fdred + 2H+
 |  | 25oC
 |  | [NAME] = Fdred + H+ |  |  | ΔHo | -21.3 |  | from Watt 1975
 |  | 2Fdred + 2H+ = 2Fdox + H2 |  |  | ΔHo
 |  |  |  |  | ΔGo |  |  | from Thauer 1977 (-400mV), Amend shock 2001 (25oC, pH7))
 |  |  |  |  | T | 298.15
 |  |  |  |  | ΔSo
 |  | at neutrality |  |  | ΔGo′ = ΔGo + RT ln([H+]). |  |  |  |  | pH |  |  | (25oC)
 |  |  |  |  |  |  |  |  |  | [H+]
 |  |  |  |  | ΔGo′
 |  | 70oC |  |  | ΔSo
 |  |  |  |  | ΔHo
 |  |  |  |  | T
 |  |  |  |  | ΔGo
 |  | at neutrality |  |  | ΔGo′ |  |  |  |  | pH |  |  | (70oC)
 |  |  |  |  |  |  |  |  |  | [H+]
 |  | 100oC |  |  | ΔSo
 |  |  |  |  | ΔHo
 |  |  |  |  | T
 |  |  |  |  | ΔGo
 |  | at neutrality |  |  | ΔGo′ |  |  |  |  | pH |  |  | (70oC)
 |  |  |  |  |  |  |  |  |  | [H+]
 | Gibbs reaction energy
 | Transformation H2(g) = H2(aq) |  |  |  |  | ΔGo′ |  | from Amend shock 2001
 |  |  |  |  | oC | H2(g) | H2(aq) |  | diff
 |  |  |  |  | 25 | 0 | 17.72
 |  |  |  |  | 70 | -5.97 | 14.62
 |  |  |  |  | 100 | -10.05 | 12.08
 | Gibbs reaction energy at different H2 concentrations
 |  |  |  |  |  | R gas constant (J/mol*K) |  |  |  | M |  |  | [NAME] |  |  | uM
 |  |  |  |  |  | 8.3144621 |  |  |  | 1 | 0.1 | 0.01 | 0.001 | 0.0001 | 1e-05 | 1e-06 | 1e-07 | 1e-08
 |  |  |  |  |  |  |  |  | LN(x)
 |  | NADH + H+  = NAD+ + H2 |  |  | ΔGo′
 |  |  |  |  | H2(g) | H2(aq) | T | RT kJ/mol)
 |  | 2Fdred + 2H+ = 2Fdox + H2 |  |  | ΔGo′
 |  |  |  |  | H2(g) | H2(aq) | T | RT kJ/mol)
 |  | 1/2NADH + 3/2H+  Fdred+ = Fdox + 1/2NAD+ + H2.
 |  | Bifucrating system
 |  |  |  |  |  |  |  |  |  |  |  |  | Intercepts |  | NADH, 0 | Fd, 0 | Bifuration, 0
 |  |  |  |  |  |  |  |  |  |  |  |  |  |  | M | M | M
 |  |  |  |  |  |  |  |  |  |  |  |  | H2 (aq), 298.15 K
 |  |  |  |  |  |  |  |  |  |  |  |  | H2 (aq), 343.15 K
 |  |  |  |  |  |  |  |  |  |  |  |  |  |  | [NAME] | [NAME] | [NAME]
 |  |  |  |  |  |  |  |  |  |  |  |  |  |  | uM | uM | uM