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FDS Source: Restore TWO_EPS to chem.f90 #15916

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Merged
drjfloyd merged 1 commit into from
Feb 3, 2026
+12 −12
Merged

FDS Source: Restore TWO_EPS to chem.f90 #15916

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24 changes: 12 additions & 12 deletions Source/chem.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -233,14 +233,14 @@ REAL(EB) FUNCTION CALCFCENT(TMP, P_RI, RNI)
IF(RN%REACTYPE==FALLOFF_TROE_TYPE) THEN
IF (RN%T2_TROE <-1.E20_EB) THEN
LOGFCENT = LOG10(MAX((1 - RN%A_TROE)*EXP(-TMP*RN%RT3_TROE) + &
RN%A_TROE*EXP(-TMP*RN%RT1_TROE),TWENTY_EPSILON_EB))
RN%A_TROE*EXP(-TMP*RN%RT1_TROE),TWO_EPSILON_EB))
ELSE
LOGFCENT = LOG10(MAX((1 - RN%A_TROE)*EXP(-TMP*RN%RT3_TROE) + &
RN%A_TROE*EXP(-TMP*RN%RT1_TROE) + EXP(-RN%T2_TROE/TMP),TWENTY_EPSILON_EB))
RN%A_TROE*EXP(-TMP*RN%RT1_TROE) + EXP(-RN%T2_TROE/TMP),TWO_EPSILON_EB))
ENDIF
C = -0.4_EB - 0.67_EB*LOGFCENT
N = 0.75_EB - 1.27_EB*LOGFCENT
LOGPRC = LOG10(MAX(P_RI, TWENTY_EPSILON_EB)) + C
LOGPRC = LOG10(MAX(P_RI, TWO_EPSILON_EB)) + C
CALCFCENT = 10._EB**(LOGFCENT/(1._EB + (LOGPRC/(N - D*LOGPRC))**2))
ELSE
CALCFCENT = 1._EB !FALLOFF-LINDEMANNN
Expand Down Expand Up @@ -427,7 +427,7 @@ SUBROUTINE JACOBIAN(CVEC,FVEC,JMAT,TN,USER_DATA)
FCENT = CALCFCENT(TMP,P_RI, I)
B_I = P_RI/(1._EB+P_RI)*FCENT
R_F = R_F * B_I
IF (THIRD_BODY_ENHANCEMENT > TWENTY_EPSILON_EB) THEN
IF (THIRD_BODY_ENHANCEMENT > TWO_EPSILON_EB) THEN
CALL CALC_FALLOFF_DBIDC_AND_DBIDT(TMP, I, K_0, K_INF, P_RI, FCENT, DBIDC, DBIDT)
ENDIF
ENDIF
Expand All @@ -441,10 +441,10 @@ SUBROUTINE JACOBIAN(CVEC,FVEC,JMAT,TN,USER_DATA)
EXPONENT = RN%N_S(NS2)
CONC = CVEC(YP2ZZ(RN%N_S_INDEX(NS2)))
IF (NS2 == NS1) THEN
CONC_EXP = CONC_EXP * MERGE((CONC+TWENTY_EPSILON_EB)**(EXPONENT - 1._EB), CONC**(EXPONENT - 1._EB), EXPONENT < 1._EB)
CONC_EXP = CONC_EXP * MERGE((CONC+TWO_EPSILON_EB)**(EXPONENT - 1._EB), CONC**(EXPONENT - 1._EB), EXPONENT < 1._EB)
ELSE
IF (EXPONENT < 1._EB) THEN
CONC_EXP = CONC_EXP * CONC * (CONC+TWENTY_EPSILON_EB)**(EXPONENT - 1._EB)
CONC_EXP = CONC_EXP * CONC * (CONC+TWO_EPSILON_EB)**(EXPONENT - 1._EB)
ELSE
CONC_EXP = CONC_EXP * CONC**EXPONENT
END IF
Expand Down Expand Up @@ -714,14 +714,14 @@ REAL(EB) FUNCTION DDC_TROE(P_RATIO, F, DPRDC, TMP, RNI)
REAL(EB), PARAMETER :: D=0.14_EB

RN => REACTION(RNI)
LOGPR = LOG10(MAX(P_RATIO, TWENTY_EPSILON_EB))
LOGPR = LOG10(MAX(P_RATIO, TWO_EPSILON_EB))
LOGTEN = LOG(10.0)
IF (RN%T2_TROE <-1.E20_EB) THEN
LOGFCENT = LOG10(MAX((1 - RN%A_TROE)*EXP(-TMP*RN%RT3_TROE) + &
RN%A_TROE*EXP(-TMP*RN%RT1_TROE),TWENTY_EPSILON_EB))
RN%A_TROE*EXP(-TMP*RN%RT1_TROE),TWO_EPSILON_EB))
ELSE
LOGFCENT = LOG10(MAX((1 - RN%A_TROE)*EXP(-TMP*RN%RT3_TROE) + &
RN%A_TROE*EXP(-TMP*RN%RT1_TROE) + EXP(-RN%T2_TROE/TMP),TWENTY_EPSILON_EB))
RN%A_TROE*EXP(-TMP*RN%RT1_TROE) + EXP(-RN%T2_TROE/TMP),TWO_EPSILON_EB))
ENDIF

DLOGPRDC = DPRDC/P_RATIO/LOGTEN;
Expand Down Expand Up @@ -751,16 +751,16 @@ REAL(EB) FUNCTION DDTMP_TROE(P_RATIO, F, DPRDT, TMP, RNI)
REAL(EB), PARAMETER :: D=0.14_EB

RN => REACTION(RNI)
LOGPR = LOG10(MAX(P_RATIO, TWENTY_EPSILON_EB));
LOGPR = LOG10(MAX(P_RATIO, TWO_EPSILON_EB));
LOGTEN = LOG(10.0);
IF (RN%T2_TROE <-1.E20_EB) THEN
FCENT = MAX((1 - RN%A_TROE)*EXP(-TMP*RN%RT3_TROE) + &
RN%A_TROE*EXP(-TMP*RN%RT1_TROE),TWENTY_EPSILON_EB)
RN%A_TROE*EXP(-TMP*RN%RT1_TROE),TWO_EPSILON_EB)
DFCENTDT = (RN%A_TROE - 1)*EXP(-TMP*RN%RT3_TROE)*RN%RT3_TROE - &
RN%A_TROE*EXP(-TMP*RN%RT1_TROE)*RN%RT1_TROE
ELSE
FCENT = MAX((1 - RN%A_TROE)*EXP(-TMP*RN%RT3_TROE) + &
RN%A_TROE*EXP(-TMP*RN%RT1_TROE) + EXP(-RN%T2_TROE/TMP),TWENTY_EPSILON_EB)
RN%A_TROE*EXP(-TMP*RN%RT1_TROE) + EXP(-RN%T2_TROE/TMP),TWO_EPSILON_EB)
DFCENTDT = (RN%A_TROE - 1)*EXP(-TMP*RN%RT3_TROE)*RN%RT3_TROE - &
RN%A_TROE*EXP(-TMP*RN%RT1_TROE)*RN%RT1_TROE + RN%T2_TROE*EXP(-RN%T2_TROE/TMP)/TMP**2
ENDIF
Expand Down
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