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Last change
on this file since 3615 was
3600,
checked in by mmaurice, 10 months ago
|
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Generic PCM (photochemistry postprocessing):
Remove hard-coded background, add extract files readable by chemical
pathway analyzer and change species name, and fix reaction constant
read in for GPCM.
MM
|
|
File size:
1.3 KB
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| 1 | import numpy as np |
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| 2 | |
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| 3 | def k_CO_OH_to_CO2_H_JPL_2015(T,dens): |
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| 4 | """ Computes rate for CO + OH -> CO2 + H from JPL 2015 """ |
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| 5 | rate1 = 1.15e-13*T/300. |
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| 6 | ak0 = 5.9e-33*(T/300.)**(-1.0) |
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| 7 | ak1 = 1.1e-12*(T/300.)**(1.3) |
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| 8 | rate2 = (ak0 * dens) / (1. + ak0 * dens / ak1) |
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| 9 | xpo2 = 1./(1. + np.log10((ak0 * dens) / ak1)**2) |
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| 10 | return rate1 + rate2 * 0.6**xpo2 |
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| 11 | |
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| 12 | def k_CO_OH_to_CO2_H_Joshi_2006(T,dens): |
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| 13 | """ Computes rate for CO + OH -> CO2 + H from Joshi and Wang 2006 """ |
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| 14 | k1a0 = 1.34*2.5*dens \ |
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| 15 | * 1/(1/(3.62e-26*T**(-2.739)*np.exp(-20./T)) \ |
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| 16 | + 1/(6.48e-33*T**(0.14)*np.exp(-57./T))) |
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| 17 | k1b0 = 1.17e-19*T**(2.053)*np.exp(139./T) \ |
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| 18 | + 9.56e-12*T**(-0.664)*np.exp(-167./T) |
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| 19 | k1ainf = 1.52e-17*T**(1.858)*np.exp(28.8/T) \ |
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| 20 | + 4.78e-8*T**(-1.851)*np.exp(-318./T) |
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| 21 | x = k1a0/(k1ainf - k1b0) |
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| 22 | y = k1b0/(k1ainf - k1b0) |
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| 23 | fc = 0.628*np.exp(-1223./T) + (1. - 0.628)*np.exp(-39./T) \ |
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| 24 | + np.exp(-T/255.) |
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| 25 | fx = fc**(1./(1. + (np.log(x))**2)) |
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| 26 | k1a = k1a0*((1. + y)/(1. + x))*fx |
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| 27 | k1b = k1b0*(1./(1.+x))*fx |
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| 28 | return k1a + k1b |
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| 29 | |
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| 30 | k_lib = {'co + oh -> co2 + h':{'JPL2015':k_CO_OH_to_CO2_H_JPL_2015, |
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| 31 | 'Joshi2006':k_CO_OH_to_CO2_H_Joshi_2006}} |
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| 32 | |
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