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FDS Source: Fix Falloff_TROE reactions when T1, T3 is zero #15226

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Merged
cxp484 merged 2 commits into from
Sep 25, 2025
Merged

FDS Source: Fix Falloff_TROE reactions when T1, T3 is zero #15226

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35fc86e
FDS Source: Fix Falloff_TROE reactions when T1, T3 is zero
cxp484 Sep 25, 2025
f2143ed
Merge remote-tracking branch 'firemodels/master'
cxp484 Sep 25, 2025
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6 changes: 5 additions & 1 deletion Source/chem.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -679,7 +679,11 @@ SUBROUTINE CALC_FALLOFF_DBIDC_AND_DBIDT(TMP, RNI, K0, KINF, P_RATIO, F, DBIDC, D
RRTMP = 1._EB/(R0*TMP)

DO NS=1,N_TRACKED_SPECIES
DPRDBI = -RN%THIRD_EFF(NS )*K0/KINF
IF (RN%N_THIRD>0) THEN
DPRDBI = -RN%THIRD_EFF(NS)*K0/KINF
ELSE
DPRDBI = -1.0_EB*K0/KINF
ENDIF
DFDBI = 0._EB
IF (RN%REACTYPE==FALLOFF_TROE_TYPE) THEN
DFDBI = DDC_TROE(P_RATIO, F, DPRDBI, TMP, RNI)
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4 changes: 2 additions & 2 deletions Source/read.f90
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Expand Up @@ -4840,9 +4840,9 @@ SUBROUTINE READ_REAC
CALL SHUTDOWN(MESSAGE) ; RETURN
ENDIF
RN%A_TROE = A_TROE
RN%RT1_TROE = 1._EB/T1_TROE
RN%RT1_TROE = 1._EB/(T1_TROE+TWO_EPSILON_EB)
RN%T2_TROE = T2_TROE
RN%RT3_TROE = 1._EB/T3_TROE
RN%RT3_TROE = 1._EB/(T3_TROE+TWO_EPSILON_EB)
RN%THIRD_BODY = .TRUE.
CASE('THREE-BODY-ARRHENIUS')
RN%REACTYPE = THREE_BODY_ARRHENIUS_TYPE
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