REAL FUNCTION HLCONST ( NAME, TEMP ) C----------------------------------------------------------------------- C C FUNCTION: return the Henry's law constant for the specified substance C at the given temperature C C revision history: C who when what C --------- -------- ------------------------------------- C S.Roselle 08/15/97 code written for Models-3 C J.Gipson 06/18/01 added Henry's Law constants 50-55 for saprc99 C W.Hutzell 07/03/01 added Henry's Law constants 56-57 for Atrazine C and the daughter products from Atrazine and OH C reactions. C----------------------------------------------------------------------- IMPLICIT NONE C...........INCLUDES and their descriptions c INCLUDE SUBST_IODECL ! I/O definitions and declarations C...........PARAMETERS and their descriptions: INTEGER MXSPCS ! Number of substances PARAMETER ( MXSPCS = 59 ) C...........ARGUMENTS and their descriptions CHARACTER*(*) NAME ! name of substance REAL TEMP ! temperature (K) C...........SCRATCH LOCAL VARIABLES and their descriptions: CHARACTER*16 SUBNAME( MXSPCS ) ! list of substance names SAVE SUBNAME INTEGER SPC ! species index REAL A( MXSPCS ) ! Henry's law constants at 298.15K (M/atm) SAVE A REAL E( MXSPCS ) ! enthalpy (like activation energy) (K) SAVE E C...........EXTERNAL FUNCTIONS and their descriptions: INTEGER HLINDEX c*********************************************************************** DATA SUBNAME( 1), A( 1), E( 1) & / 'O3 ', 1.2E-02, 2.7E+03 / ! Chameides 1984 DATA SUBNAME( 2), A( 2), E( 2) & / 'HO2 ', 9.0E+03, 0.0E+00 / ! Chameides 1984 DATA SUBNAME( 3), A( 3), E( 3) & / 'H2O2 ', 9.7E+04, 6.6E+03 / ! Chameides 1984 DATA SUBNAME( 4), A( 4), E( 4) & / 'NH3 ', 5.8E+01, 4.1E+03 / ! Chameides 1984 DATA SUBNAME( 5), A( 5), E( 5) & / 'NO ', 1.9E-03, 1.4E+03 / ! Lide and Frederikse 1995 DATA SUBNAME( 6), A( 6), E( 6) & / 'NO2 ', 1.2E-02, 2.5E+03 / ! Chameides 1984 DATA SUBNAME( 7), A( 7), E( 7) & / 'NO3 ', 1.2E+01, 1.9E+03 / ! Chameides 1984 DATA SUBNAME( 8), A( 8), E( 8) & / 'N2O5 ', 1.0E+30, 0.0E+00 / ! "inf" Sander and Crutzen 1996 DATA SUBNAME( 9), A( 9), E( 9) & / 'HNO2 ', 4.9E+01, 4.8E+03 / ! Chameides 1984 DATA SUBNAME( 10), A( 10), E( 10) & / 'HNO3 ', 2.6E+06, 8.7E+03 / ! Chameides 1984 DATA SUBNAME( 11), A( 11), E( 11) & / 'HNO4 ', 2.0E+04, 0.0E+00 / ! Jacob et al. 1989 DATA SUBNAME( 12), A( 12), E( 12) & / 'SO2 ', 1.2E+00, 3.1E+03 / ! Chameides 1984 DATA SUBNAME( 13), A( 13), E( 13) & / 'H2SO4 ', 1.0E+30, 0.0E+00 / ! infinity DATA SUBNAME( 14), A( 14), E( 14) & / 'METHANE ', 1.3E-03, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 15), A( 15), E( 15) & / 'ETHANE ', 2.0E-03, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 16), A( 16), E( 16) & / 'PROPANE ', 1.4E-03, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 17), A( 17), E( 17) & / 'BUTANE ', 1.1E-03, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 18), A( 18), E( 18) & / 'PENTANE ', 8.1E-04, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 19), A( 19), E( 19) & / 'HEXANE ', 6.0E-04, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 20), A( 20), E( 20) & / 'OCTANE ', 3.4E-04, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 21), A( 21), E( 21) & / 'NONANE ', 2.0E-04, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 22), A( 22), E( 22) & / 'DECANE ', 1.4E-04, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 23), A( 23), E( 23) & / 'ETHENE ', 4.7E-03, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 24), A( 24), E( 24) & / 'PROPENE ', 4.8E-03, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 25), A( 25), E( 25) & / 'ISOPRENE ', 1.3E-02, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 26), A( 26), E( 26) & / 'ACETYLENE ', 4.1E-02, 1.8E+03 / ! Wilhelm et al. 1977 DATA SUBNAME( 27), A( 27), E( 27) & / 'BENZENE ', 1.8E-01, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 28), A( 28), E( 28) & / 'TOLUENE ', 1.5E-01, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 29), A( 29), E( 29) & / 'O-XYLENE ', 2.0E-01, 0.0E+00 / ! Mackay and Shiu 1981 DATA SUBNAME( 30), A( 30), E( 30) & / 'METHANOL ', 2.2E+02, 0.0E+00 / ! Snider and Dawson 1985 DATA SUBNAME( 31), A( 31), E( 31) & / 'ETHANOL ', 1.6E+02, 0.0E+00 / ! Betterton 1992 DATA SUBNAME( 32), A( 32), E( 32) & / '2-CRESOL ', 8.2E+02, 0.0E+00 / ! Betterton 1992 DATA SUBNAME( 33), A( 33), E( 33) & / '4-CRESOL ', 1.3E+02, 0.0E+00 / ! Betterton 1992 DATA SUBNAME( 34), A( 34), E( 34) & / 'METHYLHYDROPEROX', 3.1E+02, 5.2E+03 / ! O'Sullivan et al. 1996 DATA SUBNAME( 35), A( 35), E( 35) & / 'FORMALDEHYDE ', 7.0E+03, 6.4E+03 / ! Chameides 1984 DATA SUBNAME( 36), A( 36), E( 36) & / 'ACETALDEHYDE ', 1.3E+01, 5.7E+03 / ! Benkelberg et al. 1995 DATA SUBNAME( 37), A( 37), E( 37) & / 'GENERIC_ALDEHYDE', 4.2E+03, 0.0E+00 / ! Graedel and Goldberg 1983 !pk DATA SUBNAME( 38), A( 38), E( 38) !pk & / 'GLYOXAL ', 3.6E+05, 0.0E+00 / ! Zhou and Mopper 1990 DATA SUBNAME( 38), A( 38), E( 38) & / 'GLYOXAL ', 4.2E+05, 7.5E+03 / ! Ip et al., 2009 !pk DATA SUBNAME( 39), A( 39), E( 39) & / 'ACETONE ', 3.2E+01, 5.8E+03 / ! Betterton 1991 DATA SUBNAME( 40), A( 40), E( 40) & / 'FORMIC_ACID ', 3.7E+03, 5.7E+03 / ! Chameides 1984 DATA SUBNAME( 41), A( 41), E( 41) & / 'ACETIC_ACID ', 5.2E+03, 0.0E+00 / ! Johnson et al. 1996 !pk DATA SUBNAME( 42), A( 42), E( 42) !pk & / 'METHYL_GLYOXAL ', 3.2E+04, 0.0E+00 / ! Zhou and Mopper 1990 DATA SUBNAME( 42), A( 42), E( 42) & / 'METHYL_GLYOXAL ', 3.7E+03, 7.5E+03 / ! Betterton and Hoffmann 1988 !pk DATA SUBNAME( 43), A( 43), E( 43) & / 'CO ', 9.5E-04, 1.3E+03 / ! Wilhelm et al. 1977 DATA SUBNAME( 44), A( 44), E( 44) & / 'CO2 ', 3.1E-02, 2.4E+03 / ! Chameides 1984 DATA SUBNAME( 45), A( 45), E( 45) & / 'PAN ', 2.9E+00, 5.9E+03 / ! Pandis and Seinfeld 1989 DATA SUBNAME( 46), A( 46), E( 46) & / 'MPAN ', 1.7E+00, 0.0E+00 / ! Kames and Schurath 1995 DATA SUBNAME( 47), A( 47), E( 47) & / 'OH ', 3.0E+01, 4.5E+03 / ! Hanson et al. 1992 DATA SUBNAME( 48), A( 48), E( 48) & / 'METHYLPEROXY_RAD', 2.0E+03, 6.6E+03 / ! Lelieveld and Crutzen 1991 DATA SUBNAME( 49), A( 49), E( 49) & / 'PEROXYACETIC_ACI', 8.4E+02, 5.3E+03 / ! O'Sullivan et al. 1996 DATA SUBNAME( 50), A( 50), E( 50) & / 'PROPANOIC_ACID ', 5.7E+03, 0.0E+00 / ! Kahn et al. 1995 DATA SUBNAME( 51), A( 51), E( 51) & / '2-NITROPHENOL ', 7.0E+01, 4.6E+03 / ! USEPA 1982 DATA SUBNAME( 52), A( 52), E( 52) & / 'PHENOL ', 1.9E+03, 7.3E+03 / ! USEPA 1982 DATA SUBNAME( 53), A( 53), E( 53) & / 'BIACETYL ', 7.4E+01, 5.7E+03 / ! Betteron 1991 DATA SUBNAME( 54), A( 54), E( 54) & / 'BENZALDEHYDE ', 4.2E+01, 4.6E+03 / ! Zhou and Mopper 1990 DATA SUBNAME( 55), A( 55), E( 55) & / 'PINENE ', 4.9E-02, 0.0E+00 / ! Karl and Lindinger 1997 DATA SUBNAME( 56), A( 56), E( 56) & / 'ATRA ', 4.1E+05, 6.0E+03 / ! CIBA Corp (1989) and Scholtz (1999) DATA SUBNAME( 57), A( 57), E( 57) & / 'DATRA ', 4.1E+05, 6.0E+03 / ! assumed same as Atrazine DATA SUBNAME( 58), A( 58), E( 58) & / 'ADIPIC_ACID ', 2.0E+08, 0.0E+00 / ! Saxena and Hildemann (1996) !pk DATA SUBNAME( 59), A( 59), E( 59) & / 'GLYCOLALDEHYDE ', 4.1E+04, 4.6E+03 / ! Betterton and Hoffmann (1988) !pk C----------------------------------------------------------------------- C begin body of subroutine HLCONST SPC = HLINDEX( NAME, MXSPCS, SUBNAME ) IF ( SPC .GT. 0 ) THEN HLCONST = A( SPC ) * EXP( E( SPC ) & * ( ( 298.0 - TEMP) / ( 298.0 * TEMP) ) ) ELSE HLCONST = 0.0 END IF RETURN END