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GENERAL_REACTION Card
Specifies parameters for general forward/reverse kinetic reaction
Required Cards:
- REACTION <string>
- Reaction equation. The forward rate is applied to reaction quotient of species on left side of reaction. The reverse or backward rate is applied to the right side.
Optional Cards:
- FORWARD_RATE <float>
- rate constant for n^th^-order forward reaction [kg(n-1)/mol(n-1) -sec]
- BACKWARD_RATE <float>
- rate constant for n^th^-order reverse reaction [kg(n-1)/mol(n-1) -sec]
Examples:
GENERAL_REACTION REACTION Tracer <-> Tracer2 FORWARD_RATE 1.7584d-7 ! half life at 0.125 y BACKWARD_RATE 0.d0 /CHEMISTRY PRIMARY_SPECIES A(aq) B(aq) C(aq) / ... GENERAL_REACTION REACTION A(aq) <-> B(aq) ! Calculating forward rate from half-life ! forward rate = -ln(0.5) / half-life [1/sec] FORWARD_RATE 1.75836d-9 ! 1/s half life = 12.5 yrs BACKWARD_RATE 0.d0 / GENERAL_REACTION REACTION B(aq) <-> C(aq) FORWARD_RATE 8.7918d-10 ! 1/s half life = 25. yrs BACKWARD_RATE 0.d0 / GENERAL_REACTION ! Note that C(aq) simply decays with no daugher products REACTION C(aq) <-> FORWARD_RATE 4.3959d-9 ! 1/s half life = 5. yrs BACKWARD_RATE 0.d0 / ... /
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