4.13. Chemical Production Rates

Table 4.12: Chemical Production Rates Subroutines[a]

Subroutine

Description

SUBROUTINE CKCDC (T, C, ICKWRK, RCKWRK, CDOT, DDOT)

Returns the molar creation and destruction rates of the species given temperature(s) and molar concentrations; see Equation 3–51 .

SUBROUTINE CKDOT (RKF, RKR, ICKWRK, RCKWRK, CDOT, DDOT)

Returns the molar creation and destruction rates of the species given reactions' rates of progress.

SUBROUTINE CKCDXP (P, T, X, ICKWRK, RCKWRK, CDOT, DDOT)

Returns the molar creation and destruction rates of the species given pressure, temperature(s) and mole fractions; see Equation 3–51 .

SUBROUTINE CKCDXR (RHO, T, X, ICKWRK, RCKWRK, CDOT, DDOT)

Returns the molar creation and destruction rates of the species given mass density, temperature(s) and mole fractions; see Equation 3–51 .

SUBROUTINE CKCDYP (P, T, Y, ICKWRK, RCKWRK, CDOT, DDOT)

Returns the molar creation and destruction rates of the species given pressure, temperature(s) and mass fractions; see Equation 3–51 .

SUBROUTINE CKCDYR (RHO, T, Y, ICKWRK, RCKWRK, CDOT, DDOT)

Returns the molar creation and destruction rates of the species given mass density, temperature(s) and mass fractions; see Equation 3–51 .

SUBROUTINE CKCONT (K, Q, ICKWRK, RCKWRK, CIK)

Returns the contributions of the reactions to the molar production rate of a species; see Equation 3–2 and Equation 3–4 .

SUBROUTINE CKCTC (T, C, ICKWRK, RCKWRK, CDOT, TAU)

Returns the molar creation rates and characteristic destruction times of the species given temperature(s) and molar concentrations; see Equation 3–54 and Equation 3–56 .

SUBROUTINE CKCTXP (P, T, X, ICKWRK, RCKWRK, CDOT, TAU)

Returns the molar creation rates and characteristic destruction times of the species given pressure, temperature(s) and mole fractions; see Equation 3–54 and Equation 3–56 .

SUBROUTINE CKCTXR (RHO, T, X, ICKWRK, RCKWRK, CDOT, TAU)

Returns the molar creation rates and characteristic destruction times of the species given mass density, temperature(s) and mole fractions; see Equation 3–54 and Equation 3–56 .

SUBROUTINE CKCTYP (P, T, Y, ICKWRK, RCKWRK, CDOT, TAU)

Returns the molar creation rates and characteristic destruction times of the species given pressure, temperature(s) and mass fractions; see Equation 3–54 and Equation 3–56 .

SUBROUTINE CKCTYR (RHO, T, Y, ICKWRK, RCKWRK, CDOT, TAU)

Returns the molar creation rates and characteristic destruction times of the species given mass density, temperature(s) and mass fractions; see Equation 3–54 and Equation 3–56 .

SUBROUTINE CKDHXP (P, T, X, ICKWRK, RCKWRK, HDOT)

Returns the heat release rate of the mixture given pressure, temperature(s) and mole fractions.

SUBROUTINE CKDHYP (P, T, Y, ICKWRK, RCKWRK, HDOT)

Returns the heat release rate of the mixture given pressure, temperature(s) and mass fractions.

SUBROUTINE CKKFKR (P, T, X, ICKWRK, RCKWRK, FWDK, REVK)

Returns the forward and reverse reaction rates for reactions given pressure, temperature(s) and mole fractions.

SUBROUTINE CKKFRT (P, T, ICKWRK, RCKWRK, RKFT, RKRT)

Returns the forward and reverse reaction rates for reactions given pressure and temperature(s). This subroutine returns only the temperature-dependent part of the forward and reverse rate constants. The pressure is included in the interface so that general pressure dependence using the logarithmic interpolation is accounted for.

SUBROUTINE CKRCXP (P, T, X, ICKWRK, RCKWRK, RCFT, RCRT)

Returns the forward and reverse rate constants for all reactions given pressure, temperature and mole fractions; see Equation 3–4 and Equation 3–19 . Note this subroutine will calculate a value for the reverse rate constant irrespective of whether the reaction was deemed reversible in the Pre-processor file. Also note that the concentration of third bodies for third body reactions is included in the returned rate constant. The units for the rate constant will depend on the number of reactants.

SUBROUTINE CKRDEX (I, RCKWRK, RD)*

Get/put the perturbation factor of the i th reaction

SUBROUTINE CKWC (T, C, ICKWRK, RCKWRK, WDOT)

Returns the molar production rates of the species given temperature(s) and molar concentrations; see Equation 3–2 .

SUBROUTINE CKWXP (P, T, X, ICKWRK, RCKWRK, WDOT)

Returns the molar production rates of the species given pressure, temperature(s) and mole fractions; see Equation 3–2 .

SUBROUTINE CKWXR (RHO, T, X, ICKWRK, RCKWRK, WDOT)

Returns the molar production rates of the species given mass density, temperature(s) and mole fractions; see Equation 3–2 .

SUBROUTINE CKWYP (P, T, Y, ICKWRK, RCKWRK, WDOT)

Returns the molar production rates of the species given pressure, temperature(s) and mass fractions; see Equation 3–2 .

SUBROUTINE CKWYPK (P, T, Y, RKFT, RKRT, ICKWRK, RCKWRK, WDOT)

Returns the molar production rates of the species given pressure, temperature(s) and mass fractions; see Equation 3–2 .

SUBROUTINE CKWYR (RHO, T, Y, ICKWRK, RCKWRK, WDOT)

Returns the molar production rates of the species given mass density, temperature and mass fractions; see Equation 3–2 .

[a] Where appropriate, the description refers to an equation number in Chemkin Theory Manual .