# Molecular parameters taken from HITRAN molparam.txt # Reference # ----------- # http://hitran.org/media/molparam.txt # # Reshaped to be read as a Pandas dataframe # >>> import pandas as pd # >>> molparam = pd.read_csv('molparam.txt', comment='#', delim_whitespace=True) # # Note # --------- # Isotope number was derived manually assuming the isonames were ordered in the database # The isotope AFGL code (ex: CO2 626) is kept for comparison if ever needed # # ----------------------------------------------------- id iso isoname abundance Q_296K gj molar_mass # H2O (1) 1 1 161 .997317E+00 1.7464E+02 1 18.010565 1 2 181 1.99983E-03 1.7511E+02 1 20.014811 1 3 171 3.71884E-04 1.0479E+03 6 19.014780 1 4 162 3.10693E-04 8.5901E+02 6 19.016740 1 5 182 6.23003E-07 8.7519E+02 6 21.020985 1 6 172 1.15853E-07 5.2204E+03 36 20.020956 1 7 262 2.41970E-08 1.0278E+03 1 20.022915 # CO2 (2) 2 1 626 .984204E+00 2.8694E+02 1 43.989830 2 2 636 1.10574E-02 5.7841E+02 2 44.993185 2 3 628 3.94707E-03 6.0948E+02 1 45.994076 2 4 627 7.33989E-04 3.5527E+03 6 44.994045 2 5 638 4.43446E-05 1.2291E+03 2 46.997431 2 6 637 8.24623E-06 7.1629E+03 12 45.997400 2 7 828 3.95734E-06 3.2421E+02 1 47.998322 2 8 827 1.47180E-06 3.7764E+03 6 46.998291 2 9 727 1.36847E-07 1.1002E+04 1 45.998262 2 10 838 4.44600E-08 6.5350E+02 2 49.001675 2 11 837 1.65354E-08 7.6152E+03 12 48.001646 2 12 737 1.53750E-09 2.2120E+04 2 47.001618 # O3 (3) 3 1 666 .992901E+00 3.4838E+03 1 47.984745 3 2 668 3.98194E-03 7.4657E+03 1 49.988991 3 3 686 1.99097E-03 3.6471E+03 1 49.988991 3 4 667 7.40475E-04 4.3331E+04 6 48.988960 3 5 676 3.70237E-04 2.1405E+04 6 48.988960 # N2O (4) 4 1 446 .990333E+00 5.0018E+03 9 44.001062 4 2 456 3.64093E-03 3.3619E+03 6 44.998096 4 3 546 3.64093E-03 3.4586E+03 6 44.998096 4 4 448 1.98582E-03 5.3147E+03 9 46.005308 4 5 447 3.69280E-04 3.0971E+04 54 45.005278 # CO (5) 5 1 26 .986544E+00 1.0712E+02 1 27.994915 5 2 36 1.10836E-02 2.2408E+02 2 28.998270 5 3 28 1.97822E-03 1.1247E+02 1 29.999161 5 4 27 3.67867E-04 6.5934E+02 6 28.999130 5 5 38 2.22250E-05 2.3582E+02 2 31.002516 5 6 37 4.13292E-06 1.3809E+03 12 30.002485 # CH4 (6) 6 1 211 .988274E+00 5.9052E+02 1 16.031300 6 2 311 1.11031E-02 1.1808E+03 2 17.034655 6 3 212 6.15751E-04 4.7954E+03 3 17.037475 6 4 312 6.91785E-06 9.5990E+03 6 18.040830 # O2 (7) 7 1 66 .995262E+00 2.1577E+02 1 31.989830 7 2 68 3.99141E-03 4.5230E+02 1 33.994076 7 3 67 7.42235E-04 2.6406E+03 6 32.994045 # NO (8) 8 1 46 .993974E+00 1.1421E+03 3 29.997989 8 2 56 3.65431E-03 7.8926E+02 2 30.995023 8 3 48 1.99312E-03 1.2045E+03 3 32.002234 # SO2 (9) 9 1 626 .945678E+00 6.3403E+03 1 63.961901 9 2 646 4.19503E-02 6.3689E+03 1 65.957695 9 3 636 7.46446E-03 2.5607E+04 4 64.961286 9 4 628 3.79256E-03 1.3681E+04 1 65.966146 # NO2 (10) 10 1 646 .991616E+00 1.3578E+04 3 45.992904 10 2 656 3.64564E-03 9.2929E+03 2 46.989938 # NH3 (11) 11 1 4111 .995872E+00 1.7252E+03 3 17.026549 11 2 5111 3.66129E-03 1.1527E+03 2 18.023583 # HNO3 (12) 12 1 146 .989110E+00 2.1412E+05 6 62.995644 12 2 156 3.63600E-03 1.4187E+05 4 63.992680 # OH (13) 13 1 61 .997473E+00 8.0362E+01 2 17.002740 13 2 81 2.00014E-03 8.0882E+01 2 19.006986 13 3 62 1.55371E-04 2.0931E+02 3 18.008915 # HF (14) 14 1 19 .999844E+00 4.1469E+01 4 20.006229 14 2 29 1.55741E-04 1.1591E+02 6 21.012404 # HCl (15) 15 1 15 .757587E+00 1.6065E+02 8 35.976678 15 2 17 .242257E+00 1.6089E+02 8 37.973729 15 3 25 1.18005E-04 4.6278E+02 12 36.982853 15 4 27 3.77350E-05 4.6412E+02 12 38.979904 # HBr (16) 16 1 19 .506781E+00 2.0017E+02 8 79.926160 16 2 11 .493063E+00 2.0023E+02 8 81.924115 16 3 29 7.89384E-05 5.8640E+02 12 80.932336 16 4 21 7.68016E-05 5.8676E+02 12 82.930289 # HI (17) 17 1 17 .999844E+00 3.8899E+02 12 127.912297 17 2 27 1.55741E-04 1.1470E+03 18 128.918472 # ClO (18) 18 1 56 .755908E+00 3.2746E+03 4 50.963768 18 2 76 .241720E+00 3.3323E+03 4 52.960819 # OCS (19) 19 1 622 .937395E+00 1.2210E+03 1 59.966986 19 2 624 4.15828E-02 1.2535E+03 1 61.962780 19 3 632 1.05315E-02 2.4842E+03 2 60.970341 19 4 623 7.39908E-03 4.9501E+03 4 60.966371 19 5 822 1.87967E-03 1.3137E+03 1 61.971231 19 6 634 4.67176E-04 2.5465E+03 2 62.966137 # H2CO (20) 20 1 126 .986237E+00 2.8467E+03 1 30.010565 20 2 136 1.10802E-02 5.8376E+03 2 31.013920 20 3 128 1.97761E-03 2.9864E+03 1 32.014811 # HOCl (21) 21 1 165 .755790E+00 1.9274E+04 8 51.971593 21 2 167 .241683E+00 1.9616E+04 8 53.968644 # N2 (22) 22 1 44 .992687E+00 4.6598E+02 1 28.006148 22 2 45 7.47809E-03 3.8646E+02 6 29.003182 # HCN (23) 23 1 124 .985114E+00 8.9529E+02 6 27.010899 23 2 134 1.10676E-02 1.8403E+03 12 28.014254 23 3 125 3.62174E-03 6.2141E+02 4 28.007933 # CH3Cl (24) 24 1 215 .748937E+00 5.7916E+04 4 49.992328 24 2 217 .239491E+00 5.8834E+04 4 51.989379 # H2O2 (25) 25 1 1661 .994952E+00 9.8198E+03 1 34.005480 # C2H2 (26) 26 1 1221 .977599E+00 4.1403E+02 1 26.015650 26 2 1231 2.19663E-02 1.6562E+03 8 27.019005 26 3 1222 3.04550E-04 1.5818E+03 6 27.021825 # C2H6 (27) 27 1 1221 .976990E+00 7.0881E+04 1 30.046950 27 2 1231 2.19526E-02 3.6191E+04 2 31.050305 # PH3 (28) 28 1 1111 .999533E+00 3.2486E+03 2 33.997238 # COF2 (29) 29 1 269 .986544E+00 7.0044E+04 1 65.991722 29 2 369 1.10834E-02 3.7844E+04 2 66.995083 # SF6 (30) 30 1 29 .950180E+00 1.6233E+06 1 145.962492 # H2S (31) 31 1 121 .949884E+00 5.0307E+02 1 33.987721 31 2 141 4.21369E-02 5.0435E+02 1 35.983515 31 3 131 7.49766E-03 2.0149E+03 4 34.987105 # HCOOH (32) 32 1 126 .983898E+00 3.9133E+04 4 46.005480 # HO2 (33) 33 1 166 .995107E+00 4.3004E+03 2 32.997655 # O (34) 34 1 6 .997628E+00 6.7212E+00 1 15.994915 # ClONO2 (35) 35 1 5646 .749570E+00 4.7884E+06 12 96.956672 35 2 7646 .239694E+00 4.9102E+06 12 98.953723 # NO+ (36) 36 1 46 .993974E+00 3.1168E+02 3 29.997989 # HOBr (37) 37 1 169 .505579E+00 2.8339E+04 8 95.921076 37 2 161 .491894E+00 2.8238E+04 8 97.919027 # C2H4 (38) 38 1 221 .977294E+00 1.1041E+04 1 28.031300 38 2 231 2.19595E-02 4.5197E+04 2 29.034655 # CH3OH (39) 39 1 2161 .985930E+00 3.5314E+04 2 32.026215 # CH3Br (40) 40 1 219 .500995E+00 8.3051E+04 4 93.941811 40 2 211 .487433E+00 8.3395E+04 4 95.939764 # CH3CN (41) 41 1 2124 .973866E+00 8.8671E+04 3 41.026549 # CF4 (42) 42 1 29 .988890E+00 1.2127E+05 1 87.993616 # C4H2 (43) 43 1 2211 .955998E+00 9.8180E+03 1 50.015650 # HC3N (44) 44 1 1224 .963346E+00 2.4785E+04 6 51.010899 # H2 (45) 45 1 11 .999688E+00 7.6724E+00 1 2.0156500 45 2 12 3.11432E-04 2.9879E+01 6 3.0218250 # CS (46) 46 1 22 .939624E+00 2.5362E+02 1 43.971036 46 2 24 .416817E-01 2.5777E+02 1 45.966787 46 3 32 .105565E-01 5.3750E+02 2 44.974368 46 4 23 .741668E-02 1.0230E+03 4 44.970399 # SO3 (47) 47 1 26 .943400E+00 7.9638E+03 1 79.956820 # C2N2 (48) 48 1 4224 9.70752E-01 1.5585E+04 1 52.006148 # COCl2 (49) 49 1 2655 5.66392E-01 1.4800E+06 1 97.932620 49 2 2657 3.62235E-01 3.0435E+06 16 99.929672 # SO (50) 50 1 26 9.47926E-01 8.4288E+02 1 47.966986 50 2 46 4.20500E-02 8.5973E+02 1 49.962782 50 3 28 1.90079E-03 9.1052E+02 1 49.971231 # CH3F (51) 51 1 219 9.88428E-01 1.4707E+04 2 34.021878 # GeH4 (52) 52 1 411 3.65172E-01 1.6341E+03 1 77.952479 52 2 211 2.74129E-01 1.6340E+03 1 75.953380 52 3 011 2.05072E-01 1.6340E+03 1 73.955550 52 4 311 7.75517E-02 1.6341E+04 10 76.954764 52 5 611 7.75517E-02 1.6341E+03 1 79.952703 # CS2 (53) 53 1 222 8.92811E-01 1.7187E+03 1 75.944140 53 2 224 7.92103E-02 2.7975E+03 1 77.939936 53 3 223 1.40944E-02 1.1009E+04 4 76.943526 53 4 232 1.00306E-02 3.5614E+03 2 76.947495 # CH3I (54) 54 1 217 9.88428E-01 1.6427E+05 6 141.927947 # NF3 (55) 55 1 4999 9.96337E-01 3.4773E+05 3 70.998286